data_2k3u_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 2k3u _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.8 p . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.11 0.481 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -42.69 82.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.103 0.961 . . . . 50.0 112.473 -173.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.75 -37.99 44.08 Favored Glycine 0 CA--C 1.534 1.231 0 N-CA-C 115.107 0.803 . . . . 50.0 115.107 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -69.17 -41.79 76.74 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.352 1.076 . . . . 50.0 112.313 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 tt -70.25 -40.2 74.55 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.276 1.03 . . . . 50.0 112.037 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -54.54 -46.23 73.57 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.429 1.492 . . . . 50.0 112.146 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.88 -40.76 96.53 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.479 0.311 . . . . 50.0 110.718 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -63.75 -44.1 94.51 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.976 -0.535 . . . . 75.0 111.832 174.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.4 mt -66.54 -41.02 89.36 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.57 1.322 . . . . 50.0 114.57 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -71.72 -26.16 62.37 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.036 -1.04 . . . . 75.0 112.703 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -64.98 -46.89 79.58 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.809 -0.615 . . . . 50.0 112.038 161.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -53.13 -31.92 44.81 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.668 1.587 . . . . 75.0 114.511 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.04 -52.47 59.24 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.047 1.294 . . . . 50.0 113.06 170.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -66.14 -40.98 91.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.904 0.774 . . . . 75.0 112.23 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -71.59 -17.49 62.29 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.774 2.029 . . . . 75.0 114.49 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.1 -6.78 1.63 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 116.982 1.553 . . . . 75.0 116.982 -162.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.6 p -100.59 170.43 8.38 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 119.447 1.623 . . . . 0.0 110.737 163.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -82.1 -31.72 30.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.596 1.159 . . . . 50.0 110.528 161.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -148.85 121.34 8.51 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.25 1.42 . . . . 50.0 112.884 173.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.3 t -90.3 -22.43 21.57 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.699 1.199 . . . . 50.0 113.628 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.52 -15.68 19.65 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -168.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -81.04 -17.86 48.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.28 1.832 . . . . 75.0 114.317 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 70.6 m-85 -80.51 156.97 26.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.106 0.963 . . . . 50.0 113.217 -172.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -136.24 -40.57 0.66 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.267 1.427 . . . . 50.0 112.307 -167.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' B' ' 22' ' ' LEU . 35.0 pttt -150.15 171.48 16.83 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.859 0.837 . . . . 75.0 113.197 174.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -141.02 154.28 45.92 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.952 1.701 . . . . 50.0 111.248 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.3 p -140.29 140.9 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.734 1.614 . . . . 50.0 109.358 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.4 mt -130.35 126.35 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.149 1.379 . . . . 50.0 108.027 -160.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.9 mt -117.42 127.06 53.66 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.308 1.043 . . . . 50.0 109.317 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.1 p -119.21 171.88 7.98 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.411 0.684 . . . . 0.0 112.019 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -52.09 164.53 0.28 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.736 -0.602 . . . . 50.0 110.462 160.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 59.62 30.8 20.44 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.658 1.183 . . . . 50.0 112.898 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 48.37 31.12 2.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.556 2.742 . . . . 50.0 115.171 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.33 141.78 47.39 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 121.141 -0.974 . . . . 50.0 112.668 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -140.44 129.5 23.48 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 127.022 2.129 . . . . 50.0 107.629 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -143.64 143.83 31.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.441 1.497 . . . . 50.0 109.165 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 t -144.08 135.56 25.84 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.002 0.819 . . . . 0.0 112.655 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.0 t -143.0 116.36 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.952 1.301 . . . . 50.0 110.569 -168.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -67.64 118.16 10.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.269 0.627 . . . . 50.0 109.921 162.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.7 mt -69.52 -20.13 63.71 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.985 1.714 . . . . 50.0 112.285 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -65.79 -19.29 65.83 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.422 1.489 . . . . 75.0 114.591 -177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.4 p -142.2 138.9 17.13 Favored Pre-proline 0 N--CA 1.479 0.995 0 CA-C-N 119.802 1.183 . . . . 0.0 111.846 -170.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.26 130.6 36.8 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.416 2.744 . . . . 50.0 114.095 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -76.83 136.13 38.92 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.748 -0.595 . . . . 50.0 111.578 170.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.4 167.06 22.43 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.11 -42.58 39.65 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.721 1.209 . . . . 50.0 114.18 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -68.78 -20.54 64.35 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.263 -0.898 . . . . 50.0 112.609 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -89.37 -35.38 16.1 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.158 1.383 . . . . 75.0 111.336 171.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.8 -26.77 66.02 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.403 -0.811 . . . . 50.0 112.524 170.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -113.82 7.41 17.05 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.248 1.419 . . . . 50.0 113.09 -173.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.74 145.94 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.795 -1.191 . . . . 50.0 110.686 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.21 134.35 36.11 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.189 0.811 . . . . 75.0 113.189 -167.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.4 mt -82.06 128.79 34.47 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.804 1.242 . . . . 50.0 111.876 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.48 -30.46 61.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.715 1.606 . . . . 50.0 114.491 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.03 -179.53 40.63 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-N 119.083 0.856 . . . . 50.0 114.357 -174.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -68.38 154.19 42.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.498 1.119 . . . . 50.0 113.602 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 35.8 ttp -73.33 62.93 0.72 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.939 2.496 . . . . 50.0 114.598 -170.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -57.34 -46.38 83.35 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.351 1.241 . . . . 50.0 114.351 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -147.45 150.27 34.29 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.056 0.943 . . . . 75.0 112.632 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.8 m -136.53 144.42 44.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.46 1.504 . . . . 0.0 109.836 166.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -129.44 147.31 51.24 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.403 1.881 . . . . 50.0 110.492 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -139.37 147.94 42.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.33 1.052 . . . . 50.0 112.754 -169.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -135.25 136.97 42.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.857 1.263 . . . . 50.0 110.828 -167.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -74.02 165.55 24.94 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.056 0.762 . . . . 50.0 113.056 173.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -54.89 67.56 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 129.725 3.21 . . . . 50.0 113.848 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.71 8.95 1.2 Allowed Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.925 1.726 . . . . 50.0 116.555 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -103.43 157.02 17.32 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 121.023 2.411 . . . . 50.0 114.5 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.1 m -137.92 24.41 2.82 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.548 1.539 . . . . 50.0 113.511 168.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -147.25 124.69 11.65 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.861 1.664 . . . . 75.0 108.131 160.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.2 p -62.33 156.78 21.42 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.009 1.115 . . . . 75.0 114.009 -167.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t -127.7 -5.13 5.81 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.571 0.952 . . . . 50.0 113.571 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -131.78 142.15 49.67 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.981 1.312 . . . . 50.0 109.117 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -152.43 154.68 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 126.161 1.784 . . . . 50.0 111.144 -169.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 12.6 mt -147.14 130.45 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.349 -1.352 . . . . 50.0 107.349 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -104.22 167.57 9.67 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.177 -0.675 . . . . 75.0 109.177 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.56 -172.78 35.78 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 121.543 -0.723 . . . . 50.0 114.174 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.02 133.53 29.25 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.488 2.125 . . . . 50.0 110.589 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 157.24 -25.07 0.47 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.214 1.864 . . . . 50.0 113.823 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.9 tttt 58.4 -24.65 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 129.121 2.968 . . . . 75.0 117.669 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.4 t -164.83 161.96 20.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.37 1.868 . . . . 0.0 109.118 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -78.97 -23.77 44.28 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.305 -0.872 . . . . 75.0 112.701 167.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 124.506 1.122 . . . . 50.0 112.603 -177.459 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.273 0 N-CA-C 117.139 1.616 . . . . 75.0 117.139 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 . . . . . 0 N--CA 1.467 0.395 0 CA-C-O 123.023 1.392 . . . . 50.0 113.638 160.064 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.931 0.396 . . . . 75.0 111.769 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -129.58 19.42 5.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.186 0.994 . . . . 50.0 113.559 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -34.31 2.46 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.738 -1.226 . . . . 50.0 114.229 166.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.18 -10.83 60.31 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.195 0.998 . . . . 75.0 113.013 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -40.28 154.24 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 128.274 2.63 . . . . 0.0 116.999 -172.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 51.6 tp -101.7 132.87 47.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.584 1.183 . . . . 50.0 108.355 161.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -108.73 82.12 1.56 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 131.597 3.959 . . . . 75.0 111.679 -168.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.414 ' CD2' ' HE3' ' A' ' 61' ' ' LYS . 6.1 mp . . . . . 0 CA--C 1.555 1.163 0 C-N-CA 127.942 2.497 . . . . 50.0 115.766 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.471 0.612 0 CA-C-O 121.448 0.642 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.6 tp -66.85 -32.76 74.25 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.457 0.703 . . . . 75.0 112.528 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.95 -42.59 94.9 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 120.018 1.281 . . . . 50.0 114.397 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.98 -35.56 80.9 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.624 -0.927 . . . . 75.0 112.195 174.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tt -70.12 -41.06 74.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.424 1.089 . . . . 50.0 112.325 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.88 -41.93 88.27 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.272 1.429 . . . . 50.0 112.123 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -61.02 -41.92 97.46 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.886 -0.508 . . . . 50.0 110.483 172.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -64.34 -46.02 85.3 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 121.79 -0.569 . . . . 50.0 111.526 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.36 -36.3 83.59 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.589 1.086 . . . . 50.0 113.136 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -66.12 -31.57 72.5 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.371 0.669 . . . . 75.0 111.614 171.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -67.34 -48.95 66.01 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.303 -0.856 . . . . 50.0 111.423 166.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -54.33 -34.38 60.9 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.01 1.115 . . . . 75.0 114.01 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.09 -49.87 68.34 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.194 -0.941 . . . . 50.0 113.321 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -69.1 -43.33 74.71 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.301 0.501 . . . . 50.0 111.578 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -60.42 -28.34 68.19 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.481 1.912 . . . . 50.0 113.779 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.69 -14.15 4.39 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 117.682 1.833 . . . . 75.0 117.682 -160.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.1 p -119.13 160.48 22.01 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 118.746 1.273 . . . . 0.0 111.107 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.56 -40.02 77.04 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.072 0.549 . . . . 50.0 112.192 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -153.08 90.2 1.43 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.093 1.757 . . . . 50.0 110.998 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.3 p -60.0 -19.55 53.01 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.414 1.635 . . . . 50.0 115.414 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -22.33 64.51 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 -175.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -74.29 -23.47 59.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.243 1.017 . . . . 75.0 112.898 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -76.08 146.33 39.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.305 1.042 . . . . 50.0 111.055 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -128.34 -23.67 3.2 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.665 0.987 . . . . 75.0 113.665 -174.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -152.19 172.31 16.58 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.061 1.344 . . . . 50.0 112.554 168.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -138.92 157.44 46.03 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 126.71 2.004 . . . . 50.0 110.436 175.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.5 t -135.8 138.22 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.548 1.139 . . . . 75.0 108.827 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.9 mt -126.8 134.44 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.22 1.408 . . . . 50.0 108.162 -163.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.9 mt -122.28 134.86 54.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.455 1.502 . . . . 75.0 109.65 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.9 p -128.54 173.86 9.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.501 0.72 . . . . 0.0 112.51 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -54.04 169.9 0.15 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.71 0.767 . . . . 50.0 111.1 160.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 52.93 32.19 12.18 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.214 1.406 . . . . 50.0 113.069 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt 49.98 32.64 5.85 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.79 2.836 . . . . 50.0 115.466 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.21 147.49 49.14 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.88 -0.513 . . . . 50.0 113.168 170.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -151.03 127.88 10.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.901 2.08 . . . . 50.0 109.156 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -143.17 121.82 12.55 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.552 0.741 . . . . 50.0 111.015 -173.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.9 t -94.75 136.62 34.85 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.018 0.826 . . . . 0.0 110.866 167.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.9 t -142.9 127.55 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.536 1.534 . . . . 50.0 109.851 -175.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -84.63 144.27 28.7 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.558 -0.714 . . . . 50.0 112.153 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.1 mt -107.72 -18.47 13.82 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.977 1.473 . . . . 50.0 114.977 -169.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -72.96 -0.35 13.47 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.524 1.057 . . . . 75.0 113.032 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.7 p -148.77 156.25 41.27 Favored Pre-proline 0 C--O 1.24 0.559 0 C-N-CA 126.015 1.726 . . . . 0.0 110.658 -164.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.11 148.92 83.29 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 122.805 2.337 . . . . 50.0 111.329 157.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -91.52 151.32 20.81 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.32 0.581 . . . . 50.0 111.602 170.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.67 148.31 49.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.562 0.745 . . . . 0.0 112.58 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -57.05 -34.45 68.26 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.28 1.215 . . . . 50.0 114.28 -174.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.21 -29.82 68.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.263 1.025 . . . . 50.0 112.046 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -90.15 -28.87 18.65 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.796 2.038 . . . . 50.0 111.203 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -61.8 -35.29 77.76 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.113 0.869 . . . . 50.0 111.53 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -105.16 2.04 28.88 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.873 1.434 . . . . 50.0 114.873 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.49 140.98 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.731 1.151 . . . . 50.0 112.187 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -79.22 116.7 19.64 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.257 1.423 . . . . 50.0 110.757 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.48 135.63 57.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.547 1.139 . . . . 50.0 112.255 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.1 -26.7 68.33 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.903 0.881 . . . . 50.0 113.072 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.51 -172.37 36.8 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.347 1.451 . . . . 50.0 113.474 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -69.76 153.01 43.95 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.88 2.072 . . . . 50.0 113.05 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 40.3 ttp -70.03 64.56 0.23 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.488 2.315 . . . . 50.0 115.107 -171.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.24 -49.43 33.3 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.144 1.164 . . . . 50.0 114.144 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -163.14 156.7 19.71 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.694 1.134 . . . . 50.0 112.196 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.6 m -138.35 151.03 47.16 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.076 1.35 . . . . 0.0 111.02 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -132.28 143.6 50.01 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.638 2.375 . . . . 50.0 110.201 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -135.88 141.19 44.57 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.91 0.884 . . . . 50.0 112.21 -170.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -132.11 131.58 42.47 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.462 1.105 . . . . 50.0 111.382 -163.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 166.63 19.91 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.488 0.922 . . . . 50.0 113.488 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -36.92 101.71 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.114 2.166 . . . . 50.0 114.085 170.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.8 4.0 79.65 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.602 1.096 . . . . 50.0 115.543 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -86.4 161.65 18.55 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.953 1.377 . . . . 50.0 112.165 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.9 m -139.83 25.66 2.33 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.025 1.73 . . . . 50.0 112.676 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -144.63 140.85 28.96 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.696 1.598 . . . . 75.0 108.369 163.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.3 p -70.78 155.25 41.01 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.853 1.057 . . . . 75.0 113.853 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 p -125.69 -8.83 6.76 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.908 1.283 . . . . 75.0 113.798 167.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -130.68 140.72 50.38 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.162 1.385 . . . . 50.0 108.758 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.77 154.95 8.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 125.861 1.664 . . . . 50.0 110.846 -171.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.6 mt -145.63 132.74 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 108.519 -0.919 . . . . 50.0 108.519 -173.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -102.74 138.92 39.0 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 124.331 1.052 . . . . 75.0 109.743 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.41 -178.74 24.67 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 114.131 0.412 . . . . 50.0 114.131 -174.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.71 131.33 27.26 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.732 2.288 . . . . 50.0 112.621 -173.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.35 -30.05 0.18 Allowed Glycine 0 CA--C 1.539 1.533 0 N-CA-C 116.086 1.194 . . . . 50.0 116.086 173.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? 69.23 -32.74 0.23 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 127.093 2.157 . . . . 75.0 115.575 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -164.33 161.33 21.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.081 1.352 . . . . 0.0 110.867 172.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -76.21 -33.31 59.25 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.795 -0.566 . . . . 50.0 111.974 164.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 125.454 1.502 . . . . 50.0 112.523 -170.581 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.313 0 CA-C-O 121.342 0.412 . . . . 50.0 113.893 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 . . . . . 0 N--CA 1.465 0.277 0 O-C-N 121.097 -1.237 . . . . 50.0 111.94 173.259 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 121.468 0.652 . . . . 75.0 112.335 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -141.86 -26.12 0.67 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.844 2.058 . . . . 50.0 112.306 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -70.0 -25.37 63.57 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.17 0.896 . . . . 50.0 113.208 -171.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -114.65 8.14 16.18 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.513 1.925 . . . . 75.0 113.179 -174.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -55.28 150.34 11.36 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -172.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.3 tp -92.71 123.57 36.09 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.735 -1.209 . . . . 50.0 107.735 166.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -102.63 96.87 7.17 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.831 2.452 . . . . 75.0 111.637 -173.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 CA--C 1.551 0.989 0 C-N-CA 128.464 2.706 . . . . 50.0 115.119 179.689 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.17 -33.28 70.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.059 0.943 . . . . 50.0 113.039 -177.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.71 -44.09 79.95 Favored Glycine 0 CA--C 1.536 1.351 0 O-C-N 120.966 -1.084 . . . . 50.0 114.06 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -65.92 -37.42 86.01 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.353 1.076 . . . . 75.0 112.667 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.4 tp -66.72 -44.12 82.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.491 -0.766 . . . . 50.0 112.397 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -55.41 -43.46 75.31 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.161 1.346 . . . . 50.0 111.974 173.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.0 -22.76 65.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.572 1.549 . . . . 50.0 112.449 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -86.05 -48.07 8.99 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 120.752 -1.217 . . . . 75.0 112.796 165.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.15 -34.33 77.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.638 1.563 . . . . 50.0 113.629 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -64.17 -34.15 77.41 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.496 0.589 . . . . 50.0 111.447 169.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -71.33 -39.39 71.39 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 118.242 -0.885 . . . . 50.0 112.785 169.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -60.44 -24.7 65.42 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.369 1.44 . . . . 75.0 114.507 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.85 -51.45 22.34 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.797 1.18 . . . . 50.0 113.716 164.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -68.68 -40.7 79.96 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.297 0.953 . . . . 50.0 112.313 -174.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -75.99 -10.61 59.56 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.301 1.84 . . . . 75.0 113.742 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.16 -17.58 2.44 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 117.361 1.704 . . . . 75.0 117.361 -170.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.4 p -112.4 159.93 18.23 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.116 1.958 . . . . 0.0 112.563 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -67.67 -34.18 76.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.704 1.602 . . . . 50.0 112.576 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -163.34 97.29 0.89 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.844 2.458 . . . . 50.0 111.155 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 t -59.64 -23.87 63.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.237 1.415 . . . . 50.0 114.781 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -5.77 2.95 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -92.58 -6.12 50.19 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.767 -1.208 . . . . 75.0 113.403 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -88.05 153.44 21.27 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.987 1.267 . . . . 50.0 113.031 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -134.94 -40.66 0.76 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.079 1.351 . . . . 50.0 112.465 -165.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -147.15 171.7 14.94 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.252 0.834 . . . . 50.0 113.252 169.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -135.62 159.72 40.75 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.201 1.4 . . . . 50.0 112.076 172.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.0 t -138.99 135.09 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 126.284 1.834 . . . . 75.0 108.562 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mt -127.9 133.11 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.674 1.59 . . . . 50.0 108.395 -165.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -117.78 113.14 21.37 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.631 1.172 . . . . 50.0 107.925 173.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.1 p -98.68 171.23 8.24 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.333 0.587 . . . . 0.0 111.476 -177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -58.47 165.27 2.19 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.451 -0.78 . . . . 50.0 110.67 160.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 54.11 39.85 31.07 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.212 1.405 . . . . 50.0 113.858 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt 56.83 25.93 10.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.088 2.155 . . . . 50.0 114.999 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.1 143.72 40.01 Favored Glycine 0 CA--C 1.533 1.178 0 O-C-N 121.182 -0.949 . . . . 50.0 112.789 169.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -138.79 132.52 30.75 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 127.081 2.152 . . . . 50.0 107.015 170.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -145.46 144.38 30.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.814 0.846 . . . . 50.0 111.058 -177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.8 t -135.02 143.6 46.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.361 1.065 . . . . 0.0 112.393 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.85 128.98 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.836 1.655 . . . . 50.0 110.135 -172.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -86.44 92.72 8.93 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.357 1.463 . . . . 50.0 112.247 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.02 -13.34 2.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.777 2.431 . . . . 50.0 115.215 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -59.55 -16.09 22.68 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.574 0.953 . . . . 75.0 113.574 163.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.6 p -146.01 148.64 36.23 Favored Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 125.445 1.498 . . . . 0.0 110.885 -167.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -71.36 122.26 8.5 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 123.934 3.09 . . . . 75.0 111.024 171.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -63.81 136.56 57.52 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.581 -0.699 . . . . 50.0 111.82 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.15 158.82 15.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.894 0.878 . . . . 0.0 112.976 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -59.14 -33.27 70.69 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.589 1.329 . . . . 50.0 114.589 -170.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -71.86 -33.19 68.19 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.723 -1.236 . . . . 50.0 112.136 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.75 -28.23 60.67 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.327 1.051 . . . . 50.0 111.964 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -61.16 -26.32 67.62 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.842 -1.162 . . . . 50.0 112.3 166.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -118.02 20.38 13.28 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.378 1.471 . . . . 50.0 112.621 -171.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.35 142.3 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 CA-C-N 119.452 1.023 . . . . 50.0 111.225 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.59 133.16 48.09 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.982 1.713 . . . . 50.0 114.02 -168.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.3 122.02 34.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.226 1.411 . . . . 50.0 112.527 172.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.11 -28.85 63.55 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.296 1.438 . . . . 50.0 114.826 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -175.05 -177.98 44.55 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-N 119.78 1.173 . . . . 50.0 114.551 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 147.06 12.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.853 2.061 . . . . 50.0 113.711 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.4 ttp -66.15 51.5 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 129.116 2.967 . . . . 50.0 115.011 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -50.34 -47.62 55.82 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.996 1.318 . . . . 50.0 113.921 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.48 140.52 26.29 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.947 0.794 . . . . 75.0 112.273 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.8 m -136.65 145.08 44.41 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.908 0.883 . . . . 0.0 111.043 168.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -124.63 139.3 53.99 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 128.57 2.748 . . . . 75.0 109.834 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -131.81 139.83 48.99 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.291 1.436 . . . . 50.0 110.948 -172.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -129.87 126.47 38.06 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.72 1.208 . . . . 50.0 110.112 -163.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -67.79 164.77 18.83 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.551 0.945 . . . . 75.0 113.551 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -63.45 61.18 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.632 3.173 . . . . 50.0 112.022 168.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.93 40.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.943 0 C-N-CA 125.903 1.716 . . . . 50.0 113.569 -176.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -153.17 146.09 24.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.049 1.339 . . . . 50.0 111.761 -167.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.7 m -142.44 38.48 1.54 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.13 1.372 . . . . 50.0 111.367 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -152.71 119.49 5.72 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.204 2.202 . . . . 75.0 106.251 162.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.0 p -51.68 147.29 6.72 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.507 0.929 . . . . 75.0 113.507 -168.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.8 t -109.93 -15.26 14.11 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.276 0.63 . . . . 50.0 112.428 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -133.65 140.99 47.42 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 125.206 1.402 . . . . 50.0 109.635 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.44 154.93 7.58 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 C-N-CA 125.46 1.504 . . . . 75.0 111.861 -174.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.59 118.36 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.079 -1.082 . . . . 50.0 108.079 -170.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -90.27 109.99 21.06 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 106.734 -1.58 . . . . 50.0 106.734 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.49 -167.96 16.69 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.865 0.745 . . . . 50.0 113.491 -171.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -64.65 122.7 10.65 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.82 2.346 . . . . 75.0 109.499 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 132.48 159.78 9.39 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 127.469 2.461 . . . . 50.0 109.883 -171.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -137.83 -15.39 1.36 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.497 1.666 . . . . 75.0 115.497 -165.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.8 t -169.08 155.78 6.81 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.269 1.828 . . . . 0.0 108.051 -175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -74.98 -23.82 58.34 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.085 -1.009 . . . . 75.0 111.72 167.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 CA--C 1.547 0.858 0 C-N-CA 124.412 1.085 . . . . 50.0 113.172 -171.511 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.448 0 N-CA-C 117.698 1.839 . . . . 50.0 117.698 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 . . . . . 0 N--CA 1.469 0.485 0 O-C-N 120.849 -1.383 . . . . 50.0 113.133 176.521 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 115.221 1.563 . . . . 50.0 115.221 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -136.21 -18.47 1.53 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.144 1.535 . . . . 50.0 115.144 169.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -147.34 -17.87 0.39 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.755 1.761 . . . . 50.0 115.755 175.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.53 -21.79 66.78 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.753 1.02 . . . . 50.0 113.753 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -37.05 155.72 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.287 2.635 . . . . 0.0 116.491 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 41.3 tp -98.33 117.49 32.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.017 -1.845 . . . . 50.0 106.017 160.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -77.83 134.83 37.91 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.665 0.745 . . . . 75.0 110.413 167.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 127.662 2.385 . . . . 50.0 110.759 174.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 121.015 0.436 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.84 -34.41 69.68 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 118.247 -0.882 . . . . 50.0 112.897 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.98 -41.38 45.19 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 119.592 1.087 . . . . 50.0 114.637 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -87.09 -35.87 18.45 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.419 1.087 . . . . 75.0 113.068 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.94 -41.85 99.62 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.748 0.704 . . . . 50.0 111.922 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.1 -40.72 86.18 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.224 1.81 . . . . 50.0 113.254 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.8 -40.83 95.88 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 110.091 -0.337 . . . . 50.0 110.091 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -63.8 -47.89 79.07 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.377 -0.821 . . . . 50.0 111.212 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.41 -37.51 83.72 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.281 1.401 . . . . 50.0 114.221 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -66.19 -30.34 70.78 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.538 -0.726 . . . . 75.0 111.245 172.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -74.88 -34.98 62.31 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 117.847 -1.073 . . . . 50.0 112.998 169.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -58.49 -34.03 70.46 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.611 1.55 . . . . 75.0 113.127 171.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.56 -49.85 69.57 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.158 -0.964 . . . . 50.0 112.922 174.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -65.73 -43.45 88.99 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.546 0.612 . . . . 50.0 112.172 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -65.68 -19.16 65.8 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.526 1.13 . . . . 75.0 114.023 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -130.43 -9.44 2.94 Favored Glycine 0 CA--C 1.535 1.317 0 N-CA-C 117.584 1.794 . . . . 75.0 117.584 -161.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 p -128.11 151.8 48.76 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 120.339 2.07 . . . . 0.0 111.89 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -67.17 -30.71 70.75 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.666 0.617 . . . . 75.0 112.666 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -158.17 91.5 1.11 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.825 1.65 . . . . 50.0 112.328 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.6 p -54.75 -27.37 40.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.223 1.809 . . . . 50.0 115.118 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.6 -22.71 66.7 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -166.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -74.86 -18.99 60.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.676 1.19 . . . . 75.0 113.346 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -77.17 155.17 32.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.639 0.775 . . . . 50.0 112.327 -176.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -126.45 -48.05 1.56 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.15 1.38 . . . . 50.0 110.507 -166.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -151.53 178.02 9.73 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.906 1.283 . . . . 75.0 112.339 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -145.47 163.6 34.17 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 125.653 1.581 . . . . 50.0 111.904 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.5 p -145.18 137.14 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.231 1.412 . . . . 50.0 110.437 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.58 137.84 47.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 126.895 2.078 . . . . 50.0 108.817 -170.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 mt -121.97 128.69 51.77 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.584 1.554 . . . . 75.0 109.364 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 p -125.1 174.39 8.08 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -171.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -54.72 167.87 0.33 Allowed 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.588 -0.695 . . . . 50.0 110.064 160.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 56.24 33.84 22.9 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.298 1.039 . . . . 50.0 113.377 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 48.2 30.6 2.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 128.075 2.55 . . . . 50.0 115.315 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.44 138.97 45.35 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.312 -0.867 . . . . 50.0 112.82 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -138.31 126.07 22.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.66 2.384 . . . . 50.0 106.927 172.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -144.98 137.1 25.87 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.302 1.041 . . . . 50.0 110.115 -177.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.3 t -127.54 143.58 51.16 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.025 1.284 . . . . 0.0 112.498 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.7 t -144.16 144.86 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.274 1.829 . . . . 50.0 108.915 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -77.02 154.47 33.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.894 0.854 . . . . 50.0 113.111 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.6 mt -105.89 -18.61 14.0 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.824 1.649 . . . . 50.0 112.35 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -58.34 -27.66 64.37 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.372 0.669 . . . . 75.0 112.497 170.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.6 p -145.23 159.57 48.61 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 126.822 2.049 . . . . 0.0 109.946 -169.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.91 147.56 27.2 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 124.099 3.2 . . . . 75.0 112.779 171.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.28 164.01 23.75 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.831 1.419 . . . . 50.0 114.831 -171.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.76 143.49 55.84 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.448 1.099 . . . . 0.0 113.891 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -62.35 -22.93 66.49 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 120.89 -1.131 . . . . 50.0 113.961 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.94 -36.58 82.56 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 119.871 -1.768 . . . . 50.0 111.54 170.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -73.96 -13.87 60.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.697 1.199 . . . . 50.0 111.996 174.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -73.18 -13.83 61.24 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.239 1.2 . . . . 50.0 114.239 163.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -110.59 -19.18 12.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.963 1.305 . . . . 50.0 113.755 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -64.73 132.44 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.686 0.795 . . . . 50.0 112.029 -172.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -68.92 125.56 27.02 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.702 0.801 . . . . 50.0 110.999 172.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.5 mt -64.87 127.61 32.29 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.552 -0.718 . . . . 50.0 111.048 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.67 -33.19 69.84 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.663 0.986 . . . . 50.0 113.663 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.37 -174.73 39.28 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.498 1.046 . . . . 50.0 113.799 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -63.88 148.82 48.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.422 1.089 . . . . 50.0 112.79 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 37.9 ttp -71.42 63.7 0.39 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 129.198 2.999 . . . . 50.0 115.058 -170.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -56.06 -39.75 72.51 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.843 -1.161 . . . . 50.0 114.028 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -144.1 158.64 43.59 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.407 1.083 . . . . 75.0 112.415 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.0 m -141.72 149.11 40.09 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.417 1.487 . . . . 0.0 110.072 163.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -131.48 150.22 52.23 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.111 1.764 . . . . 50.0 111.545 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -139.47 144.29 37.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.546 1.538 . . . . 50.0 112.12 -169.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -132.54 141.23 48.65 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.105 1.362 . . . . 50.0 111.879 -166.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 160.72 19.44 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.011 1.115 . . . . 50.0 114.011 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -52.76 89.92 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.461 2.704 . . . . 50.0 113.769 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.74 -7.0 17.77 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 126.081 1.8 . . . . 50.0 115.266 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -104.28 162.29 13.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.178 1.791 . . . . 50.0 111.525 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.3 p -141.87 14.11 2.09 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.765 1.626 . . . . 75.0 114.314 -172.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -133.35 142.15 48.27 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.574 1.55 . . . . 75.0 107.434 165.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.7 p -64.2 162.37 14.68 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.261 1.029 . . . . 75.0 113.253 -170.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.2 t -132.89 -10.1 3.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.238 -1.346 . . . . 50.0 112.397 165.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -137.15 140.09 41.61 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.177 1.391 . . . . 50.0 109.125 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -156.02 153.37 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.691 1.596 . . . . 75.0 111.283 -169.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.1 mt -142.33 133.09 24.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.685 -0.857 . . . . 50.0 108.685 -167.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -95.59 142.89 27.38 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.132 0.973 . . . . 50.0 110.922 175.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.53 -169.81 14.57 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 123.27 0.462 . . . . 50.0 113.696 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -66.4 145.25 76.71 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.793 2.328 . . . . 50.0 109.945 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.32 -24.9 2.19 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.883 1.706 . . . . 50.0 113.57 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt 60.54 -18.39 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.872 2.869 . . . . 75.0 117.175 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -171.83 157.58 4.59 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.862 1.665 . . . . 0.0 110.1 -178.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -78.93 -20.35 49.53 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.325 -0.859 . . . . 75.0 112.419 165.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 CA--C 1.548 0.904 0 C-N-CA 126.714 2.006 . . . . 50.0 114.793 -170.664 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.16 0 N-CA-C 114.807 0.683 . . . . 50.0 114.807 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 . . . . . 0 CA--C 1.513 -0.447 0 O-C-N 121.219 -1.165 . . . . 50.0 111.787 171.194 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 113.197 0.814 . . . . 50.0 113.197 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -142.01 31.24 1.59 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.107 1.763 . . . . 50.0 111.321 164.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -163.73 -27.2 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.164 1.385 . . . . 50.0 114.599 -167.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -95.84 -17.87 20.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.182 2.193 . . . . 50.0 112.052 -166.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -49.0 153.05 0.94 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 129.989 3.316 . . . . 0.0 118.767 -165.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 37.9 tp -99.61 134.41 42.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.107 1.363 . . . . 50.0 108.042 160.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -111.04 95.5 5.58 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 127.225 2.21 . . . . 75.0 111.052 -174.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 125.484 1.514 . . . . 50.0 111.696 177.218 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 121.161 0.505 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.7 mt -63.67 -29.92 71.09 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.36 -0.828 . . . . 50.0 111.673 167.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.83 -36.64 6.73 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 120.153 1.342 . . . . 50.0 115.086 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -95.02 -45.92 7.04 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.418 1.109 . . . . 75.0 113.393 166.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.36 -43.91 76.41 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.037 1.495 . . . . 50.0 115.037 -172.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.21 -38.74 90.31 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 120.185 1.357 . . . . 50.0 110.867 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.27 -45.99 92.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.979 0.912 . . . . 50.0 111.163 169.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -68.07 -38.81 82.84 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.396 1.078 . . . . 75.0 113.126 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.79 -31.69 66.85 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.453 -1.405 . . . . 50.0 113.039 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -62.07 -34.0 75.46 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.559 0.618 . . . . 50.0 111.042 166.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.06 -45.59 73.45 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.464 -0.779 . . . . 50.0 111.576 170.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -54.13 -41.75 68.72 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.416 1.265 . . . . 75.0 114.416 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.0 -43.24 93.19 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.075 1.307 . . . . 50.0 113.337 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -69.09 -43.87 73.63 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.58 1.082 . . . . 50.0 112.007 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -61.54 -21.06 63.94 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.956 1.302 . . . . 75.0 113.954 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.16 -41.82 0.53 Allowed Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.796 1.078 . . . . 75.0 115.796 -160.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.5 p -92.85 167.88 11.54 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.884 1.342 . . . . 0.0 112.238 -177.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.25 -35.84 66.3 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.251 -0.906 . . . . 50.0 111.936 168.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -146.41 112.97 5.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.098 0.959 . . . . 50.0 112.466 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.9 t -67.82 -28.17 67.34 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.02 1.328 . . . . 50.0 113.258 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.88 -12.18 58.44 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.408 ' OE1' ' HE2' ' A' ' 100' ' ' LYS . 29.9 pt20 -81.73 -14.82 56.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.021 0.928 . . . . 50.0 113.446 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -90.1 132.98 35.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.522 1.129 . . . . 50.0 111.038 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -116.94 -25.71 7.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.002 0.921 . . . . 75.0 112.902 -170.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -150.47 173.29 14.23 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.475 1.11 . . . . 50.0 112.699 168.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -145.08 158.72 43.73 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 126.079 1.751 . . . . 50.0 111.216 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.6 t -137.01 134.82 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 125.072 1.349 . . . . 75.0 109.474 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.3 mt -120.75 130.86 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 125.876 1.671 . . . . 50.0 107.807 -166.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.1 mt -117.17 117.64 30.15 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.0 0.92 . . . . 50.0 108.633 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.9 p -107.81 175.62 5.42 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.558 0.743 . . . . 0.0 111.995 -171.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -53.95 172.98 0.07 Allowed 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.303 -0.873 . . . . 50.0 111.546 160.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 53.43 29.5 8.97 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.126 1.37 . . . . 50.0 113.702 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp 56.83 35.48 26.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.53 1.932 . . . . 50.0 113.626 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.07 150.55 30.68 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.107 0.86 . . . . 50.0 113.438 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.67 136.01 26.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.73 2.412 . . . . 50.0 107.595 176.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -143.1 137.5 29.2 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.134 0.973 . . . . 50.0 110.503 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -117.0 134.16 55.1 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.255 1.022 . . . . 0.0 109.997 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.92 113.63 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.019 0.928 . . . . 50.0 109.747 -160.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -80.84 118.11 22.07 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.47 0.708 . . . . 50.0 110.695 -176.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.5 mt -77.48 -27.77 52.08 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.837 1.255 . . . . 50.0 111.066 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -64.11 0.92 0.8 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.407 1.883 . . . . 50.0 114.125 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.1 p -134.31 138.31 29.98 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.794 1.638 . . . . 0.0 110.218 171.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.71 153.08 45.01 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.704 2.936 . . . . 50.0 113.066 170.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tt -64.73 130.81 44.93 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.599 1.16 . . . . 75.0 110.749 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.65 174.84 9.71 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.488 1.515 . . . . 0.0 112.13 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -47.78 -34.89 9.11 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.59 2.071 . . . . 50.0 116.59 -168.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -71.35 -27.79 63.6 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.987 0.812 . . . . 50.0 112.398 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -89.87 -29.0 18.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.465 1.506 . . . . 75.0 109.986 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -62.12 -27.88 69.24 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.434 1.094 . . . . 50.0 113.825 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -127.56 -1.92 6.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.564 1.32 . . . . 50.0 114.564 -165.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.93 141.33 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 118.9 0.773 . . . . 50.0 110.836 168.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -106.86 139.56 41.08 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.56 1.171 . . . . 50.0 111.893 172.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.27 149.48 33.55 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.958 2.103 . . . . 75.0 110.728 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.3 -24.91 64.91 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.449 1.099 . . . . 50.0 113.329 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.26 -175.03 36.24 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.987 0.803 . . . . 50.0 114.292 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -66.96 155.14 39.33 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.122 1.369 . . . . 50.0 113.305 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ttt -66.18 64.11 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 129.223 3.009 . . . . 50.0 114.372 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.402 ' CZ ' ' HE2' ' A' ' 95' ' ' LYS . 31.0 t80 -61.24 -45.41 94.66 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.41 -1.432 . . . . 50.0 113.993 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.402 ' HE2' ' CZ ' ' A' ' 94' ' ' TYR . 71.8 mmtt -142.83 155.86 44.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.93 1.292 . . . . 75.0 111.499 176.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 54.6 m -141.02 147.78 39.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.199 1.0 . . . . 0.0 110.085 166.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -129.48 138.41 51.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.421 2.289 . . . . 50.0 109.322 -175.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -130.94 140.95 50.23 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.823 0.849 . . . . 50.0 112.652 -170.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -126.7 128.95 47.49 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.927 1.291 . . . . 50.0 110.962 -163.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.408 ' HE2' ' OE1' ' A' ' 58' ' ' GLN . 23.1 mttt -77.88 164.25 25.32 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.718 0.636 . . . . 50.0 112.718 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -43.13 109.94 0.16 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.127 1.771 . . . . 50.0 113.056 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.73 25.58 73.62 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.189 0.9 . . . . 50.0 115.102 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -122.12 158.04 30.18 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.154 1.477 . . . . 50.0 111.454 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.3 p -134.16 3.7 3.42 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.314 1.598 . . . . 75.0 115.314 -165.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -126.3 134.76 51.05 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.217 1.407 . . . . 75.0 108.476 161.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 p -62.46 163.02 9.3 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.821 1.045 . . . . 75.0 113.821 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.5 t -132.76 -16.79 2.56 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.372 1.069 . . . . 50.0 113.746 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -125.31 140.06 53.15 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 107.674 -1.232 . . . . 50.0 107.674 169.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.96 154.01 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 C-N-CA 123.981 0.912 . . . . 50.0 111.273 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.8 mt -145.46 137.77 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.482 -0.781 . . . . 50.0 109.133 -167.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -113.73 133.37 55.39 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 125.634 1.574 . . . . 50.0 109.771 -169.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.47 -172.06 19.34 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 114.205 0.442 . . . . 50.0 114.205 -169.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.34 134.07 22.1 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.018 2.478 . . . . 50.0 111.774 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 154.63 -12.65 0.48 Allowed Glycine 0 CA--C 1.539 1.55 0 C-N-CA 126.987 2.232 . . . . 50.0 114.787 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt 63.45 -37.3 0.17 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.554 2.741 . . . . 75.0 116.795 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.1 t -170.52 153.54 4.28 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.744 1.617 . . . . 0.0 110.115 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -74.36 -26.35 60.07 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.252 -0.905 . . . . 75.0 112.896 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 . . . . . 0 N--CA 1.481 1.076 0 C-N-CA 126.593 1.957 . . . . 50.0 114.813 -177.831 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.2 0 CA-C-O 120.038 -0.312 . . . . 50.0 113.086 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 . . . . . 0 N--CA 1.469 0.522 0 CA-C-N 118.405 1.103 . . . . 50.0 112.535 174.522 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 121.121 0.486 . . . . 75.0 111.698 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.17 0.34 1.91 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.465 1.283 . . . . 50.0 114.465 166.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -117.19 -24.15 7.6 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 114.755 1.391 . . . . 50.0 114.755 -173.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -96.47 -14.3 22.47 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.662 1.185 . . . . 75.0 112.743 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -37.26 144.09 0.08 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 128.707 2.803 . . . . 0.0 116.145 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 65.5 tp -92.47 125.17 37.0 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.726 -1.213 . . . . 50.0 107.726 166.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.33 112.81 22.46 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.646 1.212 . . . . 75.0 109.819 164.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.47 0.569 0 C-N-CA 124.38 1.072 . . . . 50.0 111.039 171.098 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 C--O 1.235 0.326 0 CA-C-O 121.439 0.638 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.69 -38.94 67.62 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.521 1.128 . . . . 50.0 113.019 -171.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.78 -32.85 59.2 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.508 1.052 . . . . 50.0 115.515 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -77.16 -30.03 54.76 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.358 1.079 . . . . 50.0 112.365 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 tp -76.75 -44.92 31.14 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.44 1.096 . . . . 50.0 111.832 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.28 -44.49 65.01 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.067 1.347 . . . . 50.0 111.16 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.04 -38.26 67.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.489 0.715 . . . . 50.0 112.779 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -73.31 -48.61 32.99 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.219 -0.926 . . . . 75.0 111.035 173.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.3 -40.17 96.6 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.743 1.217 . . . . 50.0 113.748 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -67.6 -35.36 78.83 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.63 1.972 . . . . 50.0 111.558 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -70.72 -41.5 71.81 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.962 0.727 . . . . 50.0 112.962 166.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -34.32 59.86 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.922 1.289 . . . . 75.0 113.903 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.34 -45.77 75.39 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.011 0.745 . . . . 50.0 113.011 177.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -66.33 -48.56 69.89 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.013 0.525 . . . . 50.0 110.773 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -68.93 -20.36 64.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.121 2.168 . . . . 75.0 114.514 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.18 -13.57 6.36 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 117.066 1.586 . . . . 75.0 117.066 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.5 p -101.79 168.22 9.58 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.819 1.81 . . . . 0.0 113.357 175.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -74.77 -37.87 62.32 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.39 0.676 . . . . 50.0 111.825 169.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -149.54 97.15 2.59 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.521 1.928 . . . . 75.0 112.768 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -61.6 -23.66 66.17 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.617 1.567 . . . . 50.0 114.198 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.84 -20.05 33.35 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 -171.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -81.08 -17.58 49.56 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.265 1.426 . . . . 50.0 113.56 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -78.48 154.29 30.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.216 1.006 . . . . 50.0 112.671 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -139.55 -30.26 0.71 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.123 0.969 . . . . 50.0 113.034 -168.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -153.73 175.01 13.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.047 0.758 . . . . 50.0 113.047 171.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -143.8 154.72 43.7 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.713 1.605 . . . . 50.0 112.342 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.7 137.28 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.416 1.486 . . . . 75.0 109.395 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.4 mt -122.18 134.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.769 1.628 . . . . 50.0 108.48 -164.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.7 mt -121.83 132.84 54.8 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.255 1.422 . . . . 75.0 110.083 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.4 p -124.19 174.54 7.61 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 122.195 0.998 . . . . 0.0 113.202 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -54.63 165.56 0.57 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 121.113 -0.992 . . . . 50.0 110.422 159.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 56.23 30.32 16.41 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 112.876 0.695 . . . . 50.0 112.876 175.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 64.87 10.59 6.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.38 2.672 . . . . 75.0 116.963 172.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.05 147.48 50.77 Favored Glycine 0 CA--C 1.542 1.728 0 N-CA-C 115.562 0.985 . . . . 50.0 115.562 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -138.36 131.27 29.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.441 2.296 . . . . 50.0 109.057 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -141.35 143.98 34.3 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.488 1.115 . . . . 50.0 111.117 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 t -131.52 132.99 44.62 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.273 1.029 . . . . 0.0 112.343 -175.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.5 t -143.04 137.83 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.998 1.319 . . . . 50.0 110.614 -170.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -87.91 155.97 19.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 123.146 1.45 . . . . 50.0 112.764 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.7 mt -113.24 -1.74 14.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.065 1.746 . . . . 50.0 112.211 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -56.58 -35.07 67.79 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.636 0.774 . . . . 75.0 111.784 167.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.2 p -144.94 165.47 22.19 Favored Pre-proline 0 N--CA 1.469 0.513 0 C-N-CA 126.257 1.823 . . . . 0.0 109.253 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.77 134.99 64.09 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 122.502 2.135 . . . . 50.0 110.465 160.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -58.91 156.57 11.24 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.758 1.021 . . . . 50.0 113.758 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.53 144.86 50.49 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.093 0.957 . . . . 0.0 112.699 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -59.0 -30.17 67.79 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.925 -1.109 . . . . 50.0 112.017 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.46 -22.16 66.2 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.734 1.614 . . . . 50.0 112.827 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -97.14 -29.29 13.69 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.218 1.807 . . . . 50.0 111.15 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.81 -43.45 94.5 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.636 1.107 . . . . 50.0 111.681 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -80.65 3.26 22.62 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.794 1.405 . . . . 50.0 114.794 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -83.65 145.86 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 120.478 1.49 . . . . 50.0 111.623 -173.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.88 149.74 49.44 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.013 1.325 . . . . 50.0 113.842 -173.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.5 mt -105.38 116.82 32.6 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.256 1.422 . . . . 50.0 111.781 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.0 -25.23 65.1 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.268 1.827 . . . . 50.0 114.13 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -175.06 179.37 46.38 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.103 0.859 . . . . 50.0 114.421 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -65.57 156.14 33.59 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.368 1.467 . . . . 50.0 113.845 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.8 ttt -69.3 73.48 0.33 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.271 2.228 . . . . 50.0 113.778 -175.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.69 -56.43 19.3 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.886 -1.134 . . . . 50.0 112.718 174.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -151.59 161.66 42.29 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.477 1.035 . . . . 50.0 112.565 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.2 m -138.78 144.77 39.52 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.975 1.31 . . . . 0.0 109.696 171.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -125.7 138.5 53.88 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.795 2.038 . . . . 50.0 109.718 -172.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -129.54 143.35 50.79 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.852 0.861 . . . . 50.0 111.799 -171.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -128.96 127.73 42.29 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.318 1.047 . . . . 50.0 111.21 -163.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -67.85 161.24 26.73 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.175 0.512 . . . . 50.0 111.612 172.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -51.76 123.53 10.38 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.251 1.02 . . . . 50.0 112.129 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.83 -2.86 47.55 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.871 1.508 . . . . 50.0 116.871 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -85.63 165.48 16.98 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.733 1.766 . . . . 50.0 112.617 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 p -136.08 1.37 2.71 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.975 1.71 . . . . 75.0 114.773 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -127.53 132.93 49.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.798 1.239 . . . . 75.0 109.477 165.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 p -63.78 154.92 31.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.915 1.08 . . . . 75.0 113.915 -170.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 t -123.6 -16.73 6.66 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.597 0.962 . . . . 50.0 113.597 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -135.31 132.78 38.12 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 126.362 1.865 . . . . 50.0 107.426 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.0 m -138.94 162.42 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 123.169 1.461 . . . . 50.0 113.095 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.8 mt -149.05 141.72 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 114.39 -1.277 . . . . 50.0 108.9 -169.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -113.64 148.07 36.95 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.432 1.493 . . . . 75.0 110.453 -170.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.19 -172.44 18.15 Favored Glycine 0 CA--C 1.528 0.849 0 O-C-N 121.975 -0.453 . . . . 50.0 112.881 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.65 126.97 16.28 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.866 1.711 . . . . 50.0 110.428 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.88 -37.51 0.34 Allowed Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.702 1.62 . . . . 50.0 114.12 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 50.33 -15.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 130.012 3.325 . . . . 75.0 119.886 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.1 t -163.26 145.4 9.95 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.396 1.453 . . . . 0.0 110.467 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -76.92 -19.89 56.85 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.516 -0.74 . . . . 75.0 112.38 170.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 CA--C 1.549 0.942 0 C-N-CA 127.177 2.191 . . . . 50.0 114.906 -168.05 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.596 0 N-CA-C 118.429 2.132 . . . . 50.0 118.429 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 . . . . . 0 N--CA 1.475 0.789 0 O-C-N 121.155 -1.203 . . . . 50.0 112.327 170.02 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 113.613 0.968 . . . . 75.0 113.613 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -135.91 -17.7 1.64 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.949 1.092 . . . . 50.0 113.949 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.46 12.24 2.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.542 1.537 . . . . 50.0 113.803 -176.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -135.99 57.05 1.8 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.837 2.055 . . . . 75.0 109.481 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.5 t -119.33 157.2 28.6 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.005 1.322 . . . . 0.0 111.591 -173.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.1 tp -99.36 117.29 33.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 107.291 -1.374 . . . . 50.0 107.291 167.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 111.43 17.94 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.222 1.01 . . . . 75.0 109.818 160.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.538 0.493 0 C-N-CA 124.493 1.117 . . . . 50.0 110.256 165.833 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 122.027 0.917 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.85 -36.3 72.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.026 1.33 . . . . 50.0 112.391 175.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.05 -48.85 57.68 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 123.703 0.668 . . . . 50.0 113.334 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.3 -33.06 69.37 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.527 -0.984 . . . . 75.0 113.138 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.45 -41.67 98.91 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.986 0.812 . . . . 50.0 111.757 171.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.44 -35.25 77.06 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.169 0.895 . . . . 50.0 113.142 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.03 -43.21 93.16 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.526 0.73 . . . . 50.0 111.213 172.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -62.8 -49.69 73.94 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 118.707 -0.663 . . . . 75.0 111.473 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.32 -32.78 74.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 120.162 1.347 . . . . 50.0 113.135 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -64.06 -37.39 87.27 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.239 0.927 . . . . 75.0 111.718 167.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -67.66 -47.51 69.31 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.471 -0.775 . . . . 50.0 112.201 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -53.08 -44.23 67.37 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.727 1.211 . . . . 75.0 111.169 171.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.62 -56.79 10.3 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 113.714 1.005 . . . . 50.0 113.714 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.23 -42.78 88.19 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.359 0.527 . . . . 50.0 111.509 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -74.96 -13.81 60.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.213 1.005 . . . . 50.0 113.464 176.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.53 -28.31 4.35 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 115.796 1.078 . . . . 50.0 115.796 -170.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.3 p -115.52 172.69 6.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 119.487 1.643 . . . . 0.0 113.317 -167.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.69 -46.06 80.47 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.392 0.516 . . . . 50.0 112.392 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.05 -38.87 1.22 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 116.08 1.881 . . . . 75.0 116.08 -174.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t 59.61 -34.51 0.06 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.253 2.221 . . . . 50.0 115.868 -163.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.18 -10.75 24.97 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -93.96 -10.26 34.31 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.672 0.99 . . . . 50.0 113.672 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -71.32 144.17 50.04 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.188 0.904 . . . . 50.0 112.116 172.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -122.74 -37.83 2.71 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.906 1.682 . . . . 50.0 111.025 -171.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -143.05 169.68 17.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.71 0.767 . . . . 50.0 112.52 165.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -141.2 162.32 35.77 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.198 1.799 . . . . 50.0 111.262 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.9 p -138.05 141.55 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.011 1.324 . . . . 50.0 110.197 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.73 121.56 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.826 1.65 . . . . 50.0 108.289 -165.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp -118.13 111.21 18.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.005 1.722 . . . . 75.0 109.708 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.9 p -108.79 174.28 5.94 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.457 1.103 . . . . 0.0 112.367 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.71 164.13 0.15 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.396 -0.815 . . . . 50.0 110.996 160.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 62.1 31.89 17.66 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.587 1.155 . . . . 50.0 113.992 168.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 62.96 21.89 13.14 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.026 2.131 . . . . 50.0 113.55 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.7 124.57 24.33 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.314 -0.714 . . . . 50.0 111.314 168.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -142.05 123.15 14.61 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.246 1.818 . . . . 50.0 106.97 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -139.88 140.53 36.5 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.316 1.047 . . . . 50.0 110.231 -172.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -117.53 143.29 46.23 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.792 0.837 . . . . 0.0 111.593 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.0 t -143.02 127.21 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.512 1.925 . . . . 50.0 109.731 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -93.72 123.68 37.21 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.505 0.722 . . . . 50.0 109.455 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.8 mt -82.09 -10.28 59.25 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.199 1.4 . . . . 50.0 113.701 -171.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -63.65 -13.74 45.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.29 1.436 . . . . 75.0 114.236 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.8 p -147.1 155.95 46.96 Favored Pre-proline 0 C--O 1.238 0.46 0 C-N-CA 125.801 1.641 . . . . 0.0 110.513 -167.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -64.1 154.83 68.35 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.884 3.056 . . . . 75.0 112.056 169.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -62.6 162.37 10.64 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.945 1.298 . . . . 50.0 114.44 172.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.56 162.41 13.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.736 1.215 . . . . 0.0 111.7 161.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -58.66 -22.61 57.37 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.294 1.038 . . . . 50.0 113.741 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.46 -43.57 93.17 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.07 -1.019 . . . . 75.0 111.003 178.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -66.57 -34.49 78.02 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.143 0.977 . . . . 75.0 111.864 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -63.59 -11.37 24.33 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.148 0.979 . . . . 50.0 113.485 173.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -128.79 0.7 5.41 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.94 1.696 . . . . 50.0 114.132 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -91.04 120.44 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 120.759 1.618 . . . . 50.0 110.676 -175.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -77.12 101.47 6.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.746 1.618 . . . . 50.0 112.198 -172.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.5 mt -47.36 120.4 3.19 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.886 1.675 . . . . 50.0 112.281 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.75 -29.99 63.12 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.683 1.193 . . . . 50.0 114.029 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -151.12 -179.45 26.86 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.538 1.066 . . . . 75.0 114.944 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.44 152.46 45.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.594 1.158 . . . . 50.0 111.983 167.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.3 ttp -74.79 70.19 1.88 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.307 1.843 . . . . 50.0 113.872 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -59.0 -47.11 86.39 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.404 0.89 . . . . 50.0 113.404 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -147.87 164.36 33.94 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 115.23 1.567 . . . . 50.0 115.23 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.8 m -146.38 145.36 30.25 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.157 1.383 . . . . 0.0 109.612 171.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -134.34 147.23 50.51 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.111 0.965 . . . . 50.0 111.291 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -137.13 144.16 42.87 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.383 1.073 . . . . 50.0 112.354 -166.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -133.57 120.94 21.38 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.054 1.341 . . . . 50.0 109.465 -164.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -69.4 165.9 19.82 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.732 -0.605 . . . . 75.0 111.664 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -43.28 101.92 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.488 1.515 . . . . 50.0 112.997 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.89 -11.23 68.05 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.939 1.536 . . . . 50.0 116.939 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -63.37 165.09 8.09 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.402 2.101 . . . . 50.0 112.865 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -136.52 7.71 3.06 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.621 1.568 . . . . 50.0 113.054 168.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -135.63 136.26 40.85 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.89 -1.131 . . . . 75.0 109.462 163.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.46 126.99 31.2 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.824 0.676 . . . . 75.0 112.824 -165.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.1 t -81.41 -26.92 35.02 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.12 1.368 . . . . 50.0 113.662 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -131.21 137.53 48.97 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.705 1.202 . . . . 50.0 109.658 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.0 m -141.32 163.51 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 122.536 1.16 . . . . 50.0 112.661 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 mt -144.33 144.93 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 125.268 1.427 . . . . 50.0 107.678 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -121.86 161.91 21.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.749 1.22 . . . . 75.0 111.99 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.94 -166.52 28.14 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 115.224 -0.898 . . . . 50.0 113.82 -173.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -72.44 133.13 20.22 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.019 2.479 . . . . 50.0 111.245 -173.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.21 -23.77 0.88 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 126.514 2.007 . . . . 50.0 113.957 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 76.8 tttt 59.93 -23.77 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 128.292 2.637 . . . . 75.0 117.234 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -161.78 158.24 25.41 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.815 1.646 . . . . 0.0 110.248 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -86.65 -2.29 58.39 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.623 0.601 . . . . 75.0 112.623 167.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 CA--C 1.541 0.633 0 O-C-N 120.427 -1.421 . . . . 75.0 112.403 -163.882 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.38 0 N-CA-C 114.502 0.561 . . . . 50.0 114.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 123.022 1.392 . . . . 50.0 114.359 176.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 112.496 0.554 . . . . 75.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -138.43 12.61 2.77 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.069 1.507 . . . . 50.0 115.069 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -140.78 -25.53 0.75 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 125.873 1.669 . . . . 50.0 114.631 -171.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -127.98 22.57 6.21 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.839 2.456 . . . . 75.0 111.685 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -55.47 162.61 1.51 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.471 1.908 . . . . 0.0 112.741 161.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 25.0 tp -108.69 128.15 54.61 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 125.999 1.72 . . . . 50.0 107.224 164.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.38 140.63 29.84 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.059 0.944 . . . . 50.0 111.125 169.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 128.222 2.609 . . . . 50.0 113.313 -174.156 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.6 p . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 121.063 0.458 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -38.76 63.31 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.539 0.94 . . . . 50.0 113.539 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.76 61.14 Favored Glycine 0 CA--C 1.538 1.524 0 CA-C-N 119.368 0.985 . . . . 50.0 114.984 172.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.91 -41.21 71.55 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.337 1.069 . . . . 50.0 112.267 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.5 tp -63.07 -42.22 99.62 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.615 0.643 . . . . 50.0 111.939 174.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.47 -39.38 83.48 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.74 1.154 . . . . 50.0 112.753 174.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.12 -46.91 86.94 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.363 0.528 . . . . 50.0 110.676 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -61.86 -41.57 98.01 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 123.829 0.852 . . . . 75.0 112.881 174.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.86 -35.23 76.66 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.252 1.387 . . . . 50.0 112.832 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -69.8 -31.31 69.14 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.642 -0.662 . . . . 75.0 111.254 170.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.64 -47.75 77.38 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.398 -0.811 . . . . 50.0 111.503 166.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -55.07 -32.81 62.23 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.77 1.228 . . . . 75.0 113.281 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.75 -51.02 62.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.53 1.059 . . . . 50.0 113.521 171.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -67.77 -41.15 83.72 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.232 0.924 . . . . 50.0 112.185 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -64.1 -28.62 69.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.935 2.094 . . . . 50.0 113.65 174.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.92 -9.12 5.36 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 117.182 1.633 . . . . 75.0 117.182 -160.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.2 p -120.53 158.09 28.04 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.251 1.525 . . . . 0.0 112.178 175.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.42 -34.87 76.77 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.152 0.581 . . . . 50.0 111.354 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -147.58 113.93 5.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.016 1.327 . . . . 50.0 112.723 173.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.7 p -76.59 -17.21 59.32 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.595 1.331 . . . . 50.0 114.595 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.12 6.61 3.33 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -171.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -107.1 -11.32 15.66 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.005 1.722 . . . . 75.0 113.782 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -87.41 144.08 26.93 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.863 0.865 . . . . 50.0 111.753 -173.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -124.44 -28.71 3.59 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.161 0.984 . . . . 50.0 111.916 -170.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -152.19 171.22 18.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 122.157 0.98 . . . . 50.0 113.138 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -145.41 159.84 42.47 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 126.275 1.83 . . . . 50.0 111.515 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.4 p -146.88 137.77 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 125.3 1.44 . . . . 50.0 109.397 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.4 mt -126.19 129.46 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.735 1.614 . . . . 50.0 109.565 -160.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 mt -121.48 130.67 53.7 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.014 1.326 . . . . 50.0 110.836 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.5 p -121.5 174.92 6.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.694 1.198 . . . . 0.0 112.405 -172.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -54.27 167.42 0.31 Allowed 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.73 -0.607 . . . . 50.0 109.668 160.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 58.48 26.42 14.23 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.146 0.978 . . . . 50.0 112.455 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt 42.98 35.76 0.8 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 129.641 3.176 . . . . 50.0 115.947 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.83 143.26 48.59 Favored Glycine 0 CA--C 1.534 1.229 0 N-CA-C 112.313 -0.315 . . . . 50.0 112.313 169.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -141.63 130.81 23.41 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.113 2.165 . . . . 50.0 108.178 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -147.84 130.06 15.57 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.313 1.045 . . . . 50.0 110.827 -176.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 m -108.53 141.36 40.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.22 1.008 . . . . 0.0 110.47 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.3 t -142.94 124.02 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.89 1.276 . . . . 50.0 109.238 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -74.92 147.97 40.49 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.926 0.869 . . . . 50.0 112.06 171.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.07 -10.81 15.8 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.728 2.011 . . . . 50.0 113.083 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.3 -15.21 23.16 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.118 0.872 . . . . 75.0 113.003 165.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.9 p -147.19 159.66 41.8 Favored Pre-proline 0 C--O 1.239 0.548 0 C-N-CA 127.361 2.265 . . . . 0.0 109.832 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.87 156.94 40.74 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 123.36 2.706 . . . . 50.0 112.321 162.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -66.99 149.4 50.69 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.739 0.78 . . . . 50.0 112.92 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.23 150.94 33.0 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.361 1.064 . . . . 0.0 113.21 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -59.56 -22.93 62.43 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.076 -1.015 . . . . 50.0 113.358 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -61.13 -20.42 62.66 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.225 1.81 . . . . 50.0 113.405 171.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -118.2 -12.62 9.96 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.134 1.774 . . . . 50.0 113.773 -173.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -63.74 -22.67 67.02 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.667 -1.271 . . . . 50.0 114.093 -171.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -135.37 2.97 3.05 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.779 1.232 . . . . 75.0 113.352 -171.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.76 137.85 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.587 1.155 . . . . 50.0 111.442 -176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.64 126.99 33.41 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.83 0.824 . . . . 50.0 112.877 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.52 138.64 58.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.174 2.19 . . . . 50.0 112.853 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 mt -63.64 -21.95 66.64 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.243 1.572 . . . . 50.0 115.243 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -172.51 -175.54 40.59 Favored Glycine 0 CA--C 1.527 0.817 0 CA-C-N 119.559 1.072 . . . . 50.0 113.784 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -58.5 141.14 52.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.407 1.483 . . . . 50.0 110.555 172.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 58.5 ttp -63.52 130.82 45.98 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.346 -0.846 . . . . 50.0 110.616 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -111.88 -38.48 4.81 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.338 0.517 . . . . 50.0 112.07 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -158.44 153.53 25.39 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.19 0.811 . . . . 75.0 113.19 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.0 m -134.95 147.15 49.7 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.156 1.382 . . . . 0.0 109.102 171.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -127.96 137.59 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.812 1.645 . . . . 50.0 109.772 -174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -131.46 142.92 50.09 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.888 1.275 . . . . 50.0 111.918 -170.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -131.75 124.19 29.21 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 125.441 1.496 . . . . 50.0 108.503 -163.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 167.17 8.11 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.333 0.515 . . . . 50.0 111.282 170.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -36.93 112.08 0.18 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.653 1.581 . . . . 50.0 113.315 168.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.83 -1.12 85.07 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.562 1.553 . . . . 50.0 116.547 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -73.56 148.15 43.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.025 1.913 . . . . 50.0 113.38 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 72.4 p -126.2 3.62 7.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.26 1.424 . . . . 75.0 113.652 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -137.86 123.51 19.8 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.406 1.483 . . . . 75.0 107.745 165.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.3 p -54.71 158.75 2.47 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.811 1.412 . . . . 75.0 114.811 -169.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t -124.59 -17.52 5.95 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.327 1.451 . . . . 50.0 114.117 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -133.3 141.69 48.09 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.39 1.476 . . . . 50.0 107.745 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.1 m -146.24 153.39 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 124.989 1.316 . . . . 50.0 111.535 -171.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -145.6 126.55 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.968 -1.123 . . . . 50.0 107.968 -175.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -93.07 162.88 13.86 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.943 0.497 . . . . 75.0 110.3 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.16 167.25 28.97 Favored Glycine 0 CA--C 1.535 1.335 0 O-C-N 121.76 -0.588 . . . . 50.0 114.453 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.54 36.57 0.62 Allowed 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 124.538 3.492 . . . . 75.0 113.937 -166.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.95 -14.81 57.33 Favored Glycine 0 CA--C 1.533 1.217 0 O-C-N 121.07 -1.019 . . . . 50.0 113.583 173.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 53.71 -5.94 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 128.534 2.733 . . . . 50.0 117.743 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -175.1 160.47 2.74 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.851 2.46 . . . . 0.0 108.896 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -82.2 -19.93 38.81 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 121.228 -0.92 . . . . 75.0 112.057 163.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 126.211 1.804 . . . . 50.0 114.397 -170.019 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.136 0 N-CA-C 115.867 1.107 . . . . 50.0 115.867 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 . . . . . 0 N--CA 1.466 0.345 0 O-C-N 121.228 -1.16 . . . . 50.0 111.016 165.779 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 t0 . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 121.198 0.523 . . . . 75.0 109.686 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -142.28 2.14 1.45 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.386 1.875 . . . . 50.0 112.557 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -90.57 -18.36 25.36 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.714 1.375 . . . . 50.0 114.714 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -120.21 -0.07 10.55 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.039 1.335 . . . . 75.0 113.213 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -49.36 149.28 2.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.871 2.068 . . . . 0.0 114.57 -168.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 31.7 tp -92.28 117.22 29.68 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.773 -1.195 . . . . 50.0 107.773 167.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.5 85.98 4.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.642 2.377 . . . . 75.0 111.419 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 N--CA 1.473 0.719 0 C-N-CA 125.709 1.604 . . . . 50.0 111.261 178.146 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.684 0.754 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.55 -41.5 66.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.581 1.552 . . . . 50.0 112.835 -176.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.23 -39.12 94.16 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.964 0.792 . . . . 50.0 114.432 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -77.19 -36.69 54.74 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.724 -0.868 . . . . 50.0 111.551 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.32 -44.46 92.57 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 118.562 -0.732 . . . . 50.0 112.64 166.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -55.48 -42.65 74.66 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.111 1.364 . . . . 50.0 112.677 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.51 -36.73 85.16 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.057 -0.402 . . . . 50.0 111.169 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -69.48 -42.5 74.75 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.839 0.856 . . . . 75.0 111.966 172.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.47 -39.13 88.63 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.338 1.427 . . . . 50.0 113.521 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.9 mtt-85 -63.8 -31.17 72.27 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.443 0.565 . . . . 75.0 111.11 170.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.01 -41.93 70.25 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 117.644 -1.169 . . . . 50.0 112.709 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -58.68 -31.74 68.49 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 120.915 1.688 . . . . 75.0 113.019 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.85 -51.08 61.88 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.124 -0.985 . . . . 50.0 113.249 171.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.25 -44.98 86.42 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.641 0.655 . . . . 50.0 112.094 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -61.11 -27.05 68.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.842 1.657 . . . . 50.0 113.816 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.65 -3.89 8.32 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 116.66 1.424 . . . . 75.0 116.66 -161.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.8 p -132.62 156.93 46.02 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 120.395 2.098 . . . . 0.0 111.339 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -63.84 -31.28 72.4 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 117.469 -1.253 . . . . 50.0 113.501 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.85 -21.46 3.04 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 118.474 2.768 . . . . 75.0 118.474 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.6 p 41.59 32.34 0.24 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 117.226 2.306 . . . . 50.0 117.226 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.15 -21.09 0.63 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -168.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -69.84 -18.39 63.44 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.536 1.934 . . . . 50.0 112.892 171.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.0 m-85 -77.97 151.35 33.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.767 2.027 . . . . 50.0 112.23 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -123.52 -28.58 3.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.033 0.933 . . . . 75.0 113.341 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -155.53 169.24 24.75 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.345 1.458 . . . . 50.0 111.977 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -145.99 156.51 43.54 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.225 1.81 . . . . 50.0 110.855 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.59 142.11 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.401 1.08 . . . . 50.0 110.055 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.0 mt -127.42 124.92 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 125.37 1.468 . . . . 50.0 107.505 -163.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.6 mt -118.55 129.13 55.17 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.506 0.722 . . . . 50.0 109.685 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.5 p -119.14 171.36 8.33 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.952 -169.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.97 159.83 1.09 Allowed 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.694 -0.629 . . . . 50.0 109.672 160.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 65.82 33.61 7.96 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.344 1.058 . . . . 50.0 113.554 170.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 61.51 38.06 16.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.889 2.076 . . . . 50.0 113.935 170.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.93 141.07 18.32 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 123.714 0.673 . . . . 50.0 113.6 171.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -139.59 128.48 23.47 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 128.452 2.701 . . . . 50.0 106.848 170.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.54 134.87 31.23 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.897 0.879 . . . . 50.0 110.304 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.0 t -122.25 139.54 53.66 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.498 1.119 . . . . 0.0 111.495 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.6 t -144.22 131.92 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.364 1.466 . . . . 50.0 110.296 -173.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -81.23 138.59 35.78 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 122.032 0.92 . . . . 50.0 111.921 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.5 mt -90.12 -14.0 34.58 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.975 1.71 . . . . 50.0 111.902 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -55.75 -28.45 55.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.974 1.31 . . . . 75.0 112.857 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.1 p -148.86 169.34 9.31 Favored Pre-proline 0 CA--C 1.54 0.592 0 C-N-CA 127.492 2.317 . . . . 0.0 109.77 -171.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -70.26 151.41 66.22 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 123.016 2.477 . . . . 50.0 111.301 164.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -76.53 155.24 33.88 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.783 0.801 . . . . 50.0 112.929 173.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.17 143.7 57.56 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.455 1.102 . . . . 0.0 112.409 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -57.05 -35.03 68.85 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 120.468 -1.395 . . . . 50.0 114.128 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -71.49 -13.96 61.97 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.918 -1.114 . . . . 50.0 112.885 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -96.19 -33.47 12.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.049 1.74 . . . . 50.0 111.548 168.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -56.38 -41.21 75.87 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 120.148 1.34 . . . . 50.0 111.665 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -83.71 -3.51 57.85 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.678 1.362 . . . . 50.0 114.678 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 p -79.39 139.89 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.683 1.583 . . . . 50.0 110.527 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -81.22 137.91 35.83 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.188 0.994 . . . . 50.0 112.41 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.7 132.01 44.75 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.396 1.878 . . . . 50.0 110.691 174.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.8 -30.65 65.86 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.6 1.333 . . . . 50.0 114.6 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -162.86 -172.25 30.1 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.79 1.186 . . . . 50.0 113.032 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -65.42 151.33 46.58 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.183 1.393 . . . . 50.0 113.071 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 36.6 ttp -70.07 69.45 0.34 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.109 2.163 . . . . 50.0 113.802 -174.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.26 -48.57 45.72 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.243 1.017 . . . . 50.0 112.387 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 97' ' ' TYR . 63.4 tttt -163.88 156.11 17.28 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 113.659 0.985 . . . . 75.0 113.659 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -139.39 149.94 44.71 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.853 1.661 . . . . 0.0 109.708 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.526 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 4.4 m-85 -133.69 150.24 51.53 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.616 1.566 . . . . 50.0 111.784 -174.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -141.49 145.47 35.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.597 1.159 . . . . 50.0 112.683 -168.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -135.88 128.83 31.34 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.256 1.422 . . . . 50.0 110.005 -163.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -69.44 162.22 27.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.688 0.795 . . . . 50.0 111.253 171.723 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -44.51 109.43 0.16 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.521 1.528 . . . . 50.0 112.113 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.71 -6.39 70.33 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.016 1.293 . . . . 50.0 116.303 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -76.12 154.46 35.48 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.189 1.995 . . . . 50.0 113.465 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 m -135.47 12.65 3.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.976 2.51 . . . . 50.0 112.481 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -142.25 130.94 22.71 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.939 2.096 . . . . 75.0 107.865 163.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -61.7 163.38 7.33 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.868 1.433 . . . . 75.0 114.868 -169.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.3 t -127.68 -15.14 5.03 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.503 1.521 . . . . 50.0 113.093 173.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -139.13 134.78 33.31 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.843 1.657 . . . . 50.0 108.346 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.1 m -142.96 160.84 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.829 1.251 . . . . 50.0 111.98 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.3 mt -146.0 130.93 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.055 -1.091 . . . . 50.0 108.055 -172.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -96.51 167.08 11.37 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.458 0.703 . . . . 50.0 110.761 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.03 -166.25 21.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 121.871 -0.518 . . . . 50.0 113.311 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -68.81 124.38 11.41 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.146 2.564 . . . . 50.0 110.461 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 148.82 126.39 1.52 Allowed Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.763 2.125 . . . . 50.0 108.929 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -99.3 -21.82 15.88 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 115.483 1.66 . . . . 50.0 115.483 -165.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -167.11 150.22 6.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.481 1.513 . . . . 0.0 108.576 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -71.74 -23.19 61.57 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.595 -0.691 . . . . 75.0 112.262 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 116.694 2.109 . . . . 50.0 116.694 -168.299 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.55 0 N-CA-C 115.64 1.016 . . . . 50.0 115.64 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 122.836 1.303 . . . . 50.0 112.942 169.757 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 113.649 0.981 . . . . 50.0 113.649 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -136.59 -11.28 1.84 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.555 1.142 . . . . 50.0 114.002 167.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.61 -8.69 0.56 Allowed 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 115.588 1.699 . . . . 50.0 115.588 172.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -87.91 4.59 44.21 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.905 0.775 . . . . 50.0 112.715 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -54.04 163.18 0.81 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.012 2.125 . . . . 0.0 115.718 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 52.3 tp -110.1 126.93 54.55 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.802 1.641 . . . . 50.0 106.788 160.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -82.45 121.59 26.94 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 125.386 1.474 . . . . 75.0 110.311 166.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 125.62 1.568 . . . . 50.0 110.505 170.357 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 121.649 0.738 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -39.62 79.88 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.551 0.945 . . . . 50.0 113.551 -168.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.32 -47.18 92.09 Favored Glycine 0 N--CA 1.476 1.307 0 CA-C-N 119.965 1.257 . . . . 50.0 114.923 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -62.23 -40.11 95.06 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 117.89 0.845 . . . . 50.0 111.483 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.48 -48.85 73.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.694 0.798 . . . . 50.0 112.337 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.1 -42.03 80.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.629 1.572 . . . . 50.0 112.651 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.67 -32.85 74.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.855 0.462 . . . . 50.0 112.143 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -69.56 -50.74 41.84 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.282 0.633 . . . . 75.0 110.755 169.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.01 -38.44 86.09 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.5 1.52 . . . . 50.0 113.748 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -61.63 -36.82 81.87 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.537 0.608 . . . . 50.0 111.075 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -70.97 -33.29 70.3 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.102 -0.951 . . . . 50.0 113.399 172.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -56.21 -40.07 73.46 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.249 1.386 . . . . 75.0 112.908 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.81 -42.11 98.6 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.133 0.879 . . . . 50.0 112.474 176.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -67.67 -41.09 84.3 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.481 1.037 . . . . 50.0 112.179 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -69.49 -15.65 63.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.54 1.936 . . . . 50.0 114.456 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.01 -38.9 0.44 Allowed Glycine 0 CA--C 1.536 1.398 0 N-CA-C 115.897 1.119 . . . . 75.0 115.897 -164.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.8 p -99.89 167.73 10.33 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.822 1.311 . . . . 0.0 113.067 -172.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -74.78 -31.24 61.7 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.216 1.007 . . . . 50.0 112.711 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -154.41 115.88 4.12 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.313 2.245 . . . . 50.0 111.807 172.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.0 p -74.65 -17.64 60.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.579 1.696 . . . . 50.0 115.579 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.57 -13.11 59.75 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -168.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -75.13 -17.22 60.46 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.213 1.005 . . . . 75.0 113.16 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 97.2 m-85 -79.5 152.03 30.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.706 1.202 . . . . 50.0 112.199 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -134.38 -38.74 0.84 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.472 1.109 . . . . 50.0 112.404 -168.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -144.7 172.46 12.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.084 0.772 . . . . 50.0 113.084 166.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -143.6 155.84 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.971 1.708 . . . . 50.0 110.963 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.6 p -140.09 136.85 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.145 1.378 . . . . 50.0 109.957 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.6 mt -119.38 123.12 70.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 125.567 1.547 . . . . 50.0 107.604 -164.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.38 114.81 27.14 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.998 0.919 . . . . 50.0 109.595 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.9 p -101.8 168.54 9.38 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.46 0.648 . . . . 0.0 111.163 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -56.24 165.05 1.12 Allowed 'General case' 0 CA--C 1.551 1.008 0 O-C-N 121.332 -0.855 . . . . 50.0 110.15 160.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 62.33 32.72 16.86 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.382 1.073 . . . . 50.0 113.107 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt 53.7 23.92 3.98 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 128.206 2.602 . . . . 75.0 116.142 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.12 138.69 48.61 Favored Glycine 0 CA--C 1.534 1.274 0 O-C-N 121.453 -0.779 . . . . 50.0 112.302 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -145.27 120.74 10.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.338 2.255 . . . . 50.0 107.128 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -139.24 142.36 37.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.881 1.272 . . . . 50.0 109.093 -176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 t -134.92 138.14 43.8 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.884 1.22 . . . . 0.0 112.064 -175.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.3 t -143.01 121.19 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.703 1.201 . . . . 50.0 110.549 -168.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -68.92 127.29 32.57 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.669 0.747 . . . . 50.0 111.003 167.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.5 mt -78.43 -23.51 46.61 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.191 1.796 . . . . 50.0 112.089 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -56.08 -19.81 14.62 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.696 1.598 . . . . 75.0 114.108 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.9 p -137.76 157.59 73.17 Favored Pre-proline 0 C--O 1.24 0.57 0 C-N-CA 125.766 1.626 . . . . 0.0 109.965 -175.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.86 145.2 73.79 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.505 2.136 . . . . 50.0 110.649 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.08 132.31 47.02 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.334 1.053 . . . . 75.0 111.335 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.82 143.06 56.9 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -62.31 -26.3 68.35 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.947 1.832 . . . . 50.0 115.947 -167.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.55 -39.0 65.05 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.011 -1.056 . . . . 75.0 112.111 170.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -69.45 -29.64 67.38 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.204 1.402 . . . . 75.0 111.337 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -56.71 -22.87 38.29 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.761 0.824 . . . . 50.0 113.029 169.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -124.17 22.34 8.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.359 1.464 . . . . 50.0 112.461 -166.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 p -96.67 136.1 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.589 0.756 . . . . 50.0 110.863 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -67.39 146.74 53.74 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.767 1.227 . . . . 50.0 112.847 176.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.88 146.02 26.35 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.151 1.38 . . . . 50.0 111.499 174.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.77 -23.32 52.95 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.309 1.444 . . . . 50.0 114.811 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.26 -177.02 37.37 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.412 1.006 . . . . 50.0 111.921 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -60.94 147.0 44.8 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.043 1.337 . . . . 50.0 112.727 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.01 62.72 0.05 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.803 2.441 . . . . 50.0 113.717 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.449 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 9.0 t80 -56.27 -46.99 79.45 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.003 -1.06 . . . . 50.0 112.15 -175.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.449 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 29.1 pttt -160.28 166.77 28.9 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.474 1.657 . . . . 75.0 115.474 166.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.7 m -134.08 148.02 50.96 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.754 2.022 . . . . 0.0 109.633 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -123.63 151.5 42.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.7 1.6 . . . . 50.0 111.57 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -138.6 146.65 42.03 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 125.341 1.456 . . . . 50.0 111.345 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -133.68 131.93 40.07 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 125.125 1.37 . . . . 50.0 109.58 -167.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -72.08 166.27 22.61 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.225 0.454 . . . . 50.0 112.225 172.263 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -47.01 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.517 1.927 . . . . 50.0 111.886 173.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.21 -3.79 47.88 Favored Glycine 0 CA--C 1.542 1.759 0 C-N-CA 125.779 1.657 . . . . 50.0 117.157 177.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -72.78 163.58 27.89 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.917 1.859 . . . . 50.0 113.982 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.0 p -144.26 11.57 1.53 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.26 1.824 . . . . 75.0 114.338 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -143.32 134.68 26.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.621 1.968 . . . . 75.0 106.968 160.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -59.59 163.98 3.86 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.291 1.219 . . . . 75.0 114.291 -166.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.8 t -126.76 -16.86 5.11 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.218 0.821 . . . . 50.0 113.218 169.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -131.95 143.58 50.21 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.299 1.04 . . . . 50.0 109.962 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.03 152.38 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.723 0 C-N-CA 125.147 1.379 . . . . 75.0 111.461 -176.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.9 mt -143.02 136.22 25.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.6 -0.889 . . . . 50.0 108.6 -166.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -103.38 161.05 14.17 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.075 1.35 . . . . 75.0 111.013 -174.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -161.94 -161.15 11.59 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.727 -0.485 . . . . 50.0 113.65 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -61.82 135.34 55.37 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.511 2.141 . . . . 50.0 109.808 172.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.74 161.49 11.16 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 127.863 2.649 . . . . 75.0 110.209 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -139.3 -9.26 1.28 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.006 1.113 . . . . 75.0 114.006 -173.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t -166.04 149.88 7.79 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.8 1.24 . . . . 0.0 110.12 173.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -71.69 -27.66 63.19 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.512 -0.742 . . . . 75.0 112.115 169.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 CA--C 1.548 0.872 0 C-N-CA 125.847 1.659 . . . . 50.0 113.409 -173.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.454 0 CA-C-O 120.06 -0.3 . . . . 50.0 112.781 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 . . . . . 0 N--CA 1.466 0.374 0 CA-C-N 118.506 1.153 . . . . 50.0 113.927 178.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 115.043 1.498 . . . . 50.0 115.043 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -135.9 27.21 3.28 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.08 1.752 . . . . 50.0 112.249 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -169.72 -38.29 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.388 1.475 . . . . 50.0 114.272 -174.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -67.84 -27.96 67.15 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.708 0.803 . . . . 50.0 112.67 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.5 t -42.35 144.06 0.55 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.929 2.092 . . . . 0.0 116.463 -163.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.4 tp -95.55 125.63 40.29 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.621 1.168 . . . . 50.0 108.667 165.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.7 119.99 23.39 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.883 2.473 . . . . 75.0 111.605 166.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 CA--C 1.55 0.969 0 C-N-CA 128.155 2.582 . . . . 50.0 111.367 169.508 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.4 p . . . . . 0 N--CA 1.472 0.654 0 CA-C-O 121.41 0.624 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -38.52 63.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.793 0.837 . . . . 50.0 112.551 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.94 -36.46 51.01 Favored Glycine 0 CA--C 1.54 1.617 0 N-CA-C 116.112 1.205 . . . . 50.0 116.112 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -69.22 -31.25 69.7 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 118.826 1.313 . . . . 75.0 112.546 176.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 tt -84.66 -44.72 13.17 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.503 1.521 . . . . 50.0 111.715 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.57 -42.7 67.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.578 1.551 . . . . 50.0 112.582 173.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -65.73 -33.56 76.15 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.85 -0.531 . . . . 50.0 111.233 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -72.98 -41.85 63.91 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.635 -0.666 . . . . 75.0 111.319 172.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.51 -38.13 88.73 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 120.085 1.311 . . . . 50.0 113.721 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -61.05 -23.59 65.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.586 1.154 . . . . 75.0 111.891 169.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -87.3 -33.71 19.13 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.895 1.443 . . . . 50.0 114.895 169.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -54.03 -44.84 71.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 121.293 1.861 . . . . 75.0 114.021 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.82 -43.37 98.98 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.502 -0.748 . . . . 50.0 112.009 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -66.5 -39.33 88.65 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.52 1.054 . . . . 75.0 112.345 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -64.5 -31.02 72.06 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.188 1.795 . . . . 50.0 113.479 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.23 -28.54 1.0 Allowed Glycine 0 CA--C 1.536 1.357 0 N-CA-C 117.06 1.584 . . . . 75.0 117.06 -160.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.8 p -86.42 172.46 10.36 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.783 1.791 . . . . 0.0 111.497 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -80.34 -28.23 38.17 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.811 -0.556 . . . . 75.0 112.454 167.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -152.9 118.12 5.2 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.414 1.886 . . . . 50.0 112.061 171.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.1 t -81.19 -18.51 45.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.08 1.352 . . . . 50.0 114.184 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.79 -8.43 48.15 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -171.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -87.2 -16.01 36.57 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.939 -1.101 . . . . 75.0 113.716 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -83.34 146.23 28.61 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.397 0.999 . . . . 50.0 112.183 -173.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -115.15 -28.03 7.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.784 0.833 . . . . 75.0 113.058 -173.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -160.81 175.25 12.78 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.824 1.65 . . . . 75.0 112.06 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -154.37 159.82 41.35 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.217 1.807 . . . . 50.0 112.621 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.3 p -148.48 148.95 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.873 1.269 . . . . 50.0 110.074 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.6 mt -130.61 136.36 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 125.845 1.658 . . . . 50.0 108.829 -166.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -118.35 129.17 55.28 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.651 1.58 . . . . 75.0 108.584 172.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p -121.17 164.99 16.03 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 122.479 1.133 . . . . 0.0 112.585 -173.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.64 163.98 3.92 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.675 -0.693 . . . . 50.0 110.583 160.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 52.65 31.98 11.11 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.263 1.425 . . . . 50.0 113.935 -166.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 60.03 28.67 18.23 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.822 2.449 . . . . 50.0 115.398 168.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.06 155.42 42.39 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 114.503 0.561 . . . . 50.0 114.503 174.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -142.26 134.38 27.49 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.72 2.408 . . . . 50.0 108.351 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -144.53 141.76 29.73 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.134 0.974 . . . . 50.0 110.529 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 t -135.03 132.05 37.8 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.687 1.195 . . . . 0.0 110.028 -172.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.4 t -145.86 140.87 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.509 1.124 . . . . 50.0 110.383 -171.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -89.73 149.13 22.88 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 122.08 0.943 . . . . 50.0 112.794 175.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.56 -18.2 13.79 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.388 2.275 . . . . 50.0 111.868 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -58.57 -15.67 12.42 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.315 1.046 . . . . 75.0 113.504 164.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -142.42 147.55 43.66 Favored Pre-proline 0 C--O 1.239 0.523 0 C-N-CA 125.526 1.53 . . . . 0.0 110.415 -171.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.81 133.23 40.86 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.741 2.294 . . . . 50.0 109.857 159.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.68 145.39 47.25 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.434 0.561 . . . . 50.0 112.256 175.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.1 160.1 32.67 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.87 -31.3 71.56 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.994 1.85 . . . . 50.0 115.994 -171.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -69.12 -37.74 78.5 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.75 1.614 . . . . 50.0 111.213 171.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -69.65 -29.39 66.84 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.187 1.395 . . . . 75.0 111.181 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -63.25 -21.69 66.4 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.497 0.925 . . . . 50.0 113.497 167.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -120.58 1.86 10.64 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.517 1.127 . . . . 50.0 113.889 -167.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.31 142.19 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 119.13 0.877 . . . . 50.0 111.934 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -61.19 151.98 30.01 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.481 1.289 . . . . 50.0 114.481 -176.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.9 mt -117.83 119.13 33.95 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.262 1.825 . . . . 50.0 110.747 175.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.51 -28.51 70.0 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.688 1.366 . . . . 50.0 114.688 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.93 -172.95 38.36 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 119.18 0.9 . . . . 50.0 114.013 -177.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -67.27 149.97 49.68 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.459 1.504 . . . . 50.0 112.091 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 38.5 ttp -74.01 66.38 1.19 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.485 1.914 . . . . 50.0 114.653 -173.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.84 -55.32 10.02 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.885 1.274 . . . . 50.0 114.332 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -150.25 154.58 38.17 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.621 1.101 . . . . 75.0 112.468 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 m -140.99 149.75 42.18 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.49 1.116 . . . . 0.0 110.218 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -135.96 148.75 48.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.35 1.06 . . . . 50.0 111.309 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -143.66 147.97 35.1 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.362 1.465 . . . . 50.0 111.795 -170.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -138.55 135.36 34.97 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.677 1.191 . . . . 50.0 110.115 -162.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -75.17 168.06 20.71 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.327 0.862 . . . . 75.0 113.327 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -59.43 74.69 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 128.721 2.808 . . . . 50.0 114.444 175.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.36 26.62 0.73 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.528 2.013 . . . . 50.0 114.008 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -139.11 143.39 38.23 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.538 1.669 . . . . 50.0 112.442 -169.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.9 m -139.55 28.88 2.18 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.41 1.084 . . . . 50.0 112.316 175.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -146.56 119.84 8.95 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.089 -1.449 . . . . 75.0 107.089 160.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -48.61 159.41 0.23 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.58 2.067 . . . . 75.0 116.58 -160.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 t -124.24 -14.44 6.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.876 1.271 . . . . 50.0 112.586 168.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -136.52 136.13 39.11 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.618 1.167 . . . . 50.0 108.65 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.1 m -140.68 160.04 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 124.631 1.172 . . . . 50.0 111.531 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.4 mt -141.99 133.79 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.258 -0.645 . . . . 50.0 109.258 -165.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -98.96 111.6 23.95 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 108.459 -0.941 . . . . 50.0 108.459 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.41 -171.95 23.04 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 111.974 -0.451 . . . . 50.0 111.974 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.93 120.33 6.98 Favored 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.421 2.081 . . . . 75.0 109.384 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.7 135.52 2.99 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 126.807 2.146 . . . . 50.0 110.187 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -110.81 -21.63 11.96 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.028 1.121 . . . . 75.0 114.028 -166.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -165.11 167.6 18.08 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.023 1.729 . . . . 0.0 108.883 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -80.73 -17.62 50.42 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.961 -1.087 . . . . 75.0 113.455 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 117.813 2.523 . . . . 50.0 117.813 -163.388 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.28 0 N-CA-C 113.68 0.232 . . . . 75.0 113.68 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 122.25 1.024 . . . . 50.0 112.21 178.68 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.03 0.752 . . . . 50.0 113.03 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -147.27 35.68 0.9 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.327 0.651 . . . . 50.0 112.427 165.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -160.27 -27.63 0.06 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.598 1.703 . . . . 50.0 115.598 -174.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.77 -23.19 21.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.964 0.906 . . . . 50.0 112.002 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -39.49 134.79 1.2 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 -160.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 47.2 tp -92.83 141.47 28.4 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.161 1.785 . . . . 50.0 107.636 166.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.58 142.09 35.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.69 1.196 . . . . 50.0 112.177 173.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 128.382 2.673 . . . . 50.0 114.124 -168.517 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.5 mt -51.74 -32.42 30.52 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-O 117.71 -1.138 . . . . 50.0 113.57 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.9 -37.1 52.34 Favored Glycine 0 CA--C 1.538 1.47 0 CA-C-N 120.39 1.45 . . . . 50.0 114.449 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -86.02 -38.46 17.86 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.846 1.323 . . . . 75.0 114.33 175.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.08 -39.5 90.14 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.31 0.485 . . . . 50.0 112.31 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -59.32 -43.05 92.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.323 1.849 . . . . 50.0 113.009 171.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.63 -40.19 91.01 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.025 0.53 . . . . 50.0 111.013 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -64.67 -47.96 76.49 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.849 1.26 . . . . 50.0 112.417 171.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -66.29 -38.15 87.09 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.57 1.077 . . . . 50.0 113.372 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -61.25 -35.62 77.75 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.01 0.924 . . . . 50.0 110.74 171.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -70.56 -41.48 72.38 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.341 0.867 . . . . 50.0 113.341 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -54.23 -31.23 52.76 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.414 1.264 . . . . 75.0 114.414 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.51 -53.58 33.5 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.25 0.932 . . . . 50.0 112.517 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -63.09 -40.22 97.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.825 0.739 . . . . 50.0 112.072 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -77.87 -11.97 59.94 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.558 2.343 . . . . 50.0 115.215 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -135.41 -10.52 1.45 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 116.151 1.22 . . . . 75.0 116.151 -168.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.0 p -114.45 154.96 27.24 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.138 1.469 . . . . 0.0 111.414 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -65.39 -30.17 70.96 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.672 -0.643 . . . . 50.0 111.879 173.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -149.38 111.26 4.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.373 1.469 . . . . 50.0 112.035 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.7 t -70.69 -27.78 64.27 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.251 1.42 . . . . 50.0 114.219 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.8 -7.46 27.89 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -170.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -84.76 -15.69 44.16 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.824 -1.172 . . . . 75.0 112.872 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -85.97 152.06 23.24 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.266 0.939 . . . . 50.0 113.176 -173.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -135.94 -36.73 0.75 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.893 1.277 . . . . 50.0 112.607 -166.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -149.07 172.37 14.88 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.993 0.917 . . . . 50.0 112.405 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -149.93 155.56 40.2 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 125.701 1.6 . . . . 50.0 111.47 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.01 133.52 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 125.948 1.699 . . . . 50.0 109.094 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.3 mt -124.2 132.29 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.168 1.387 . . . . 50.0 107.72 -162.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.2 mt -122.25 101.64 7.64 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.486 1.115 . . . . 50.0 109.131 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -90.5 174.03 7.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.112 0.965 . . . . 0.0 112.556 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -51.18 162.76 0.28 Allowed 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.813 -1.179 . . . . 50.0 110.44 160.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 61.12 34.8 18.88 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.321 1.048 . . . . 50.0 112.856 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 53.89 24.81 4.79 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.665 2.386 . . . . 50.0 114.341 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.78 83.33 0.16 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.593 1.092 . . . . 50.0 112.815 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -77.12 134.91 38.57 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.067 -1.086 . . . . 50.0 108.067 162.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -143.31 149.02 37.23 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.634 1.574 . . . . 50.0 109.941 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 t -134.97 136.65 42.38 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.786 0.721 . . . . 0.0 111.901 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.5 t -144.19 134.04 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.96 1.304 . . . . 50.0 110.66 -166.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -95.01 113.79 25.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 122.228 1.013 . . . . 50.0 111.191 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.67 -16.63 64.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.194 1.798 . . . . 50.0 111.987 170.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -63.32 -13.45 39.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.445 1.498 . . . . 50.0 114.623 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 64.6 p -146.26 158.82 47.11 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 125.053 1.341 . . . . 0.0 111.53 -172.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.27 154.83 17.52 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 124.314 3.343 . . . . 50.0 113.956 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.28 124.64 20.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.385 1.074 . . . . 50.0 112.26 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.29 133.78 49.31 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.678 1.191 . . . . 0.0 112.62 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.45 -23.59 62.82 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.385 1.254 . . . . 50.0 114.385 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -67.45 -38.81 85.06 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.885 -1.134 . . . . 50.0 111.264 173.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -72.32 -24.08 61.26 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.319 -0.863 . . . . 50.0 112.609 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -64.4 -8.64 14.03 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.585 1.154 . . . . 50.0 113.945 166.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -132.81 -11.16 3.04 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.72 1.378 . . . . 50.0 114.72 -171.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.09 128.85 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.125 1.37 . . . . 50.0 111.54 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -74.57 136.89 42.08 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.318 -0.864 . . . . 50.0 112.671 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -70.72 106.31 3.5 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.504 1.521 . . . . 50.0 112.095 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.4 mt -56.62 -28.12 59.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.51 1.524 . . . . 50.0 114.961 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -172.84 179.86 44.03 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.255 0.931 . . . . 50.0 113.475 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -70.43 152.56 43.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.997 0.919 . . . . 50.0 113.2 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 36.4 ttp -72.7 60.79 0.51 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 128.042 2.537 . . . . 50.0 115.063 -169.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -53.42 -45.92 69.57 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.739 1.385 . . . . 50.0 114.739 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -151.38 149.24 29.08 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.504 -0.747 . . . . 75.0 111.609 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.0 m -138.24 150.9 47.15 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.295 1.038 . . . . 0.0 110.303 169.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.413 ' CD2' ' CG1' ' A' ' 109' ' ' VAL . 3.9 m-85 -132.88 151.26 52.06 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.334 1.854 . . . . 50.0 111.056 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -143.14 143.48 31.83 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.207 1.403 . . . . 50.0 112.797 -165.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -126.88 134.44 50.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.026 1.33 . . . . 50.0 111.651 -169.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -70.48 163.28 27.14 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.399 0.68 . . . . 50.0 112.725 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -69.02 52.26 0.09 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.999 2.52 . . . . 50.0 114.249 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.33 41.23 0.02 OUTLIER Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.893 2.187 . . . . 50.0 110.856 -173.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -152.18 149.96 29.32 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.02 0.91 . . . . 50.0 112.801 -167.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.8 m -139.54 12.89 2.54 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.579 2.351 . . . . 50.0 111.987 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -139.49 116.46 10.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.515 1.526 . . . . 75.0 109.313 166.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.75 118.63 10.56 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.497 0.925 . . . . 75.0 113.497 -161.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.2 t -77.86 -23.76 48.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.447 1.499 . . . . 50.0 114.955 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -124.47 145.16 49.68 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.641 0.777 . . . . 50.0 110.125 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.437 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -152.42 155.59 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.584 1.554 . . . . 50.0 111.606 -170.155 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.1 mt -145.25 145.89 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 O-C-N 121.284 -0.885 . . . . 50.0 109.868 -169.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -107.62 144.37 34.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.572 1.149 . . . . 75.0 111.296 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.16 -177.67 28.67 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 116.505 -0.316 . . . . 50.0 113.133 174.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.82 138.53 34.63 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.122 2.548 . . . . 50.0 111.379 -177.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.05 -19.73 0.18 Allowed Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.643 2.068 . . . . 50.0 114.197 173.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm 56.12 -21.46 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 129.069 2.948 . . . . 75.0 117.828 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -168.94 152.96 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.272 1.829 . . . . 0.0 109.806 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -82.75 -22.53 34.33 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.742 -0.599 . . . . 50.0 111.794 167.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 CA--C 1.547 0.834 0 O-C-N 120.832 -1.168 . . . . 50.0 112.349 -176.401 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.335 0 N-CA-C 117.68 1.832 . . . . 75.0 117.68 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.437 ' CD2' HG23 ' A' ' 109' ' ' VAL . 41.1 p-80 . . . . . 0 N--CA 1.465 0.321 0 C-N-CA 126.906 2.082 . . . . 50.0 110.333 171.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 121.688 0.756 . . . . 75.0 112.075 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -143.3 5.3 1.45 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.561 1.944 . . . . 50.0 113.098 -173.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -141.7 -26.15 0.68 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.963 1.705 . . . . 50.0 113.266 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -102.2 61.77 0.86 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.018 1.327 . . . . 75.0 110.711 165.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.5 t -115.18 161.38 18.5 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.952 2.501 . . . . 0.0 110.371 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -103.72 101.54 11.37 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 103.747 -2.686 . . . . 50.0 103.747 171.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.3 102.08 14.8 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.57 1.948 . . . . 50.0 110.933 -177.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 127.821 2.448 . . . . 50.0 114.09 179.411 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.63 -35.38 70.41 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 117.633 -1.175 . . . . 50.0 113.624 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.74 -50.57 60.14 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 120.846 1.657 . . . . 50.0 112.913 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.96 -33.9 64.06 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.812 1.645 . . . . 50.0 112.435 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tp -71.81 -44.81 63.28 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.502 0.592 . . . . 50.0 112.045 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.7 -40.68 84.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.65 1.58 . . . . 50.0 112.156 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -64.46 -43.74 93.27 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.636 0.374 . . . . 50.0 110.392 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -65.79 -42.79 90.32 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.757 -0.639 . . . . 50.0 112.309 174.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.0 -37.94 82.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.175 1.39 . . . . 50.0 113.688 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -62.69 -33.08 74.35 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 118.652 -0.69 . . . . 75.0 110.71 170.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -71.72 -44.57 63.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 118.07 -0.966 . . . . 50.0 113.544 168.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -55.44 -30.95 61.46 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.61 1.55 . . . . 75.0 112.456 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.38 -48.0 74.42 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 120.87 -1.144 . . . . 50.0 113.89 172.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -70.31 -43.3 70.62 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.78 0.718 . . . . 75.0 112.012 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -57.93 -37.14 73.56 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.782 1.233 . . . . 50.0 113.149 171.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.79 -2.73 25.38 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 116.507 1.363 . . . . 75.0 116.507 -160.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.9 p -122.14 158.94 28.22 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.332 1.566 . . . . 0.0 112.57 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -68.62 -29.2 67.65 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.358 0.873 . . . . 75.0 113.358 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -157.53 100.98 1.82 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.475 2.31 . . . . 75.0 111.6 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 p -65.51 -21.56 66.63 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.109 1.522 . . . . 50.0 115.109 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.7 -23.12 62.87 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -172.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -77.62 -14.31 59.67 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.491 1.116 . . . . 50.0 113.249 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -84.96 144.49 28.29 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.261 0.937 . . . . 50.0 113.111 -173.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -129.8 -30.91 2.0 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.114 1.366 . . . . 50.0 112.89 -165.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -151.35 175.04 12.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 122.234 1.016 . . . . 75.0 111.9 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -150.0 159.4 44.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.138 -1.847 . . . . 50.0 111.169 174.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 p -141.79 136.99 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 124.703 1.201 . . . . 50.0 109.555 175.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.4 mt -119.9 124.04 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.656 1.582 . . . . 50.0 107.589 -163.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -118.89 130.42 55.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.845 1.258 . . . . 75.0 110.166 -176.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.2 p -124.38 171.41 9.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.838 0.855 . . . . 0.0 112.078 -172.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -51.66 163.37 0.31 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 120.875 0.369 . . . . 50.0 110.183 160.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 60.67 33.04 20.36 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.454 1.102 . . . . 50.0 113.051 175.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 53.85 31.01 12.38 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.125 2.57 . . . . 75.0 114.83 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.03 139.29 38.1 Favored Glycine 0 CA--C 1.537 1.412 0 O-C-N 121.781 -0.574 . . . . 50.0 112.876 167.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -148.97 123.8 9.93 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 128.371 2.669 . . . . 50.0 107.287 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -143.28 116.71 9.09 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.936 0.894 . . . . 50.0 109.753 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 t -101.72 139.51 37.27 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 119.103 0.865 . . . . 0.0 111.55 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -142.9 119.53 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.366 1.867 . . . . 50.0 109.537 -167.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -77.11 138.02 39.27 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.02 0.914 . . . . 50.0 111.329 172.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.1 mt -95.94 -14.8 22.81 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.384 1.874 . . . . 50.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -66.29 -8.97 28.33 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.064 1.346 . . . . 75.0 113.144 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.8 p -135.85 152.83 76.54 Favored Pre-proline 0 C--O 1.241 0.615 0 C-N-CA 126.29 1.836 . . . . 0.0 110.975 -169.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.83 153.01 78.11 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.43 2.753 . . . . 50.0 111.862 166.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -69.28 135.99 51.25 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.634 -0.666 . . . . 50.0 112.18 171.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.36 130.08 44.35 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.752 -0.593 . . . . 0.0 111.241 163.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.73 -21.84 63.38 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.552 2.056 . . . . 50.0 116.552 -167.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.89 -20.29 65.89 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.575 1.534 . . . . 75.0 112.71 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.43 -26.78 66.98 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.839 1.256 . . . . 50.0 112.185 169.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -70.02 -15.72 63.06 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.317 -0.864 . . . . 50.0 112.866 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -105.99 -24.36 12.43 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.509 0.929 . . . . 75.0 113.509 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.36 115.52 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 119.734 1.152 . . . . 50.0 110.997 -175.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.12 133.06 42.8 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.446 -0.784 . . . . 50.0 109.942 168.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.58 150.68 48.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.978 1.311 . . . . 50.0 111.598 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.09 -27.58 68.17 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.936 0.894 . . . . 50.0 113.067 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.33 -173.97 35.26 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.455 1.026 . . . . 50.0 113.666 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -67.53 146.74 53.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.124 0.97 . . . . 50.0 111.158 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 52.3 ttp -60.21 112.73 2.03 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.462 1.105 . . . . 50.0 111.046 176.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -85.56 -55.36 4.03 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.328 0.513 . . . . 50.0 109.948 169.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -147.91 154.74 40.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.215 0.606 . . . . 75.0 112.583 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.0 m -125.1 142.74 51.3 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 124.378 1.071 . . . . 0.0 108.965 164.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -126.76 133.19 50.9 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.625 1.57 . . . . 50.0 108.284 -172.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -131.46 143.33 50.35 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.159 1.384 . . . . 50.0 111.71 -167.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -134.22 136.49 43.71 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.482 0.713 . . . . 50.0 111.265 -167.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -66.85 165.25 15.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.892 0.877 . . . . 75.0 112.62 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -51.85 110.85 0.51 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.178 1.791 . . . . 50.0 110.536 170.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.0 -1.17 73.75 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 115.735 1.054 . . . . 50.0 115.735 -176.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -96.88 145.08 26.21 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.346 1.573 . . . . 50.0 112.15 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.3 m -138.62 30.59 2.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.439 1.496 . . . . 50.0 111.827 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -143.45 112.0 6.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.36 1.464 . . . . 75.0 108.339 160.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 96.5 p -57.8 106.46 0.36 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.467 1.284 . . . . 75.0 114.467 -163.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.0 t -67.73 -20.78 65.29 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.712 1.004 . . . . 50.0 113.712 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -126.3 142.11 51.65 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.598 1.159 . . . . 50.0 110.41 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.7 m -147.83 154.72 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.748 1.619 . . . . 50.0 112.006 -176.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.4 mt -147.27 136.44 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 124.397 1.079 . . . . 50.0 108.317 -177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -116.07 152.54 33.4 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.376 0.607 . . . . 75.0 110.883 -168.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.06 177.71 22.55 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.064 1.316 . . . . 50.0 113.162 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -80.29 40.05 0.92 Allowed 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 124.109 3.206 . . . . 75.0 114.239 -167.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.5 -25.68 17.74 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 120.208 -1.557 . . . . 50.0 114.582 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? 61.3 -27.09 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.59 2.356 . . . . 75.0 116.844 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -165.92 163.23 18.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.812 2.045 . . . . 0.0 109.709 -177.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -89.59 -17.91 27.58 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.493 -0.754 . . . . 75.0 113.027 165.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 125.31 1.444 . . . . 50.0 113.345 -164.804 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.862 0 N-CA-C 116.96 1.544 . . . . 50.0 116.96 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 122.307 1.051 . . . . 50.0 111.653 167.033 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 121.334 0.588 . . . . 75.0 110.472 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -131.56 -19.12 2.73 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.842 1.257 . . . . 50.0 113.79 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.32 -19.43 8.28 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.595 1.331 . . . . 50.0 114.595 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -97.35 2.29 50.41 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.628 0.771 . . . . 50.0 112.638 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 t -52.86 159.35 1.15 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.713 2.405 . . . . 0.0 115.207 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 52.7 tp -100.94 120.53 40.3 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.529 -1.285 . . . . 50.0 107.529 160.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -95.75 85.9 4.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.57 2.348 . . . . 50.0 111.296 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 CA--C 1.538 0.502 0 C-N-CA 126.92 2.088 . . . . 50.0 112.672 -179.74 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 122.099 0.952 . . . . 0.0 113.258 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.18 -36.45 75.35 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.552 1.141 . . . . 50.0 112.832 -171.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.28 -35.93 44.13 Favored Glycine 0 CA--C 1.54 1.614 0 CA-C-N 119.296 0.953 . . . . 50.0 115.078 177.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -71.27 -43.74 66.59 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.342 1.071 . . . . 50.0 111.982 176.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -65.93 -39.77 90.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.194 0.998 . . . . 50.0 112.534 175.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.02 -39.03 71.32 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.333 1.453 . . . . 50.0 112.508 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.88 -42.47 94.79 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.961 -0.462 . . . . 50.0 111.995 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -61.23 -48.04 83.33 Favored 'General case' 0 C--O 1.222 -0.358 0 O-C-N 121.687 -0.633 . . . . 75.0 111.134 172.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.94 -34.64 73.69 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.877 -1.14 . . . . 50.0 113.95 -175.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.4 mtt-85 -66.4 -30.03 70.32 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.069 0.85 . . . . 75.0 112.004 168.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -70.3 -45.77 65.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.741 -0.647 . . . . 50.0 112.67 166.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -55.26 -40.68 71.24 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.781 1.173 . . . . 75.0 113.437 -176.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.99 -42.78 89.37 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.955 1.252 . . . . 50.0 113.037 173.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -68.84 -43.73 74.9 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.46 1.482 . . . . 50.0 112.287 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -65.89 -21.36 66.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.835 1.654 . . . . 50.0 113.809 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.05 -41.52 0.55 Allowed Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.548 1.379 . . . . 75.0 116.548 -163.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.4 p -88.71 159.04 17.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.075 1.437 . . . . 0.0 111.598 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -71.08 -33.23 70.03 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.375 -0.828 . . . . 75.0 112.324 172.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -148.64 117.56 6.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.604 1.562 . . . . 50.0 112.161 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.9 p -72.78 -26.3 61.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.822 1.649 . . . . 50.0 114.554 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.03 5.31 3.44 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -168.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -97.01 -19.53 18.69 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.575 -1.328 . . . . 75.0 112.294 170.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -76.4 149.85 36.86 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.977 0.911 . . . . 50.0 111.259 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.68 -30.52 4.16 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.738 1.014 . . . . 75.0 113.738 -174.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -155.86 168.18 28.02 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.458 1.503 . . . . 50.0 111.196 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -136.78 155.32 49.98 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 126.78 2.032 . . . . 50.0 110.625 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.5 p -138.06 125.94 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 124.51 1.124 . . . . 50.0 110.179 172.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mp -106.18 135.42 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.557 1.543 . . . . 50.0 108.97 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.6 mt -116.68 125.64 52.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.288 1.435 . . . . 50.0 108.802 173.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.2 p -118.38 172.38 7.5 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.228 0.611 . . . . 0.0 112.042 -170.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.16 169.26 0.18 Allowed 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.596 -0.69 . . . . 50.0 111.106 160.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 53.87 31.39 13.13 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.44 1.096 . . . . 50.0 112.85 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.6 mttt 66.85 17.09 10.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.358 2.263 . . . . 50.0 114.775 169.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.92 150.81 50.86 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 123.478 0.561 . . . . 50.0 114.163 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -148.95 130.77 15.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.324 2.25 . . . . 50.0 108.561 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -146.53 120.86 9.6 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.781 -1.104 . . . . 50.0 110.89 -173.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.8 t -113.22 134.88 54.37 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 119.963 1.256 . . . . 0.0 112.623 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.7 t -145.36 125.29 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.266 1.426 . . . . 50.0 110.76 -170.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -71.52 140.58 49.97 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.513 -0.742 . . . . 50.0 111.98 170.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.55 -15.92 15.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.44 1.896 . . . . 50.0 113.61 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -70.58 -2.14 13.28 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.474 0.916 . . . . 50.0 113.474 171.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 p -138.24 152.9 72.5 Favored Pre-proline 0 C--O 1.24 0.591 0 C-N-CA 127.878 2.471 . . . . 0.0 109.272 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.32 150.01 77.37 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.715 2.277 . . . . 50.0 110.89 161.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -70.45 143.74 51.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.631 -0.668 . . . . 50.0 111.312 171.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.06 155.25 24.53 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -50.25 -33.98 21.52 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.436 1.643 . . . . 50.0 115.436 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -69.92 -39.32 76.23 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.81 -1.181 . . . . 50.0 111.665 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -78.66 -25.58 44.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.771 1.629 . . . . 50.0 113.306 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -54.94 -22.83 16.33 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.79 0.836 . . . . 50.0 112.096 166.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -127.89 13.55 6.83 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.402 1.881 . . . . 50.0 113.445 -168.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -76.61 139.12 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.992 -1.068 . . . . 50.0 110.483 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -72.92 149.01 43.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.921 0.888 . . . . 50.0 112.684 -169.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.2 mt -105.25 117.7 34.67 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.004 1.322 . . . . 50.0 112.244 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.82 -31.46 72.44 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.871 1.668 . . . . 50.0 114.0 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.91 169.55 34.66 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.419 1.009 . . . . 75.0 114.755 -172.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -59.27 153.22 19.09 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.868 1.667 . . . . 50.0 111.926 166.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.1 ttp -74.87 69.77 1.89 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.882 1.673 . . . . 50.0 113.085 -172.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -58.64 -42.2 87.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.777 1.028 . . . . 50.0 113.777 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -159.25 153.24 23.38 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.043 -1.036 . . . . 50.0 113.095 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.8 m -135.7 150.14 49.46 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.665 1.186 . . . . 0.0 111.02 172.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -128.4 146.94 50.64 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.283 1.833 . . . . 50.0 110.881 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.02 145.29 39.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.243 1.417 . . . . 50.0 111.949 -173.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -126.58 135.35 51.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.473 1.109 . . . . 50.0 110.748 -164.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -73.21 154.18 40.35 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.834 0.743 . . . . 75.0 111.611 171.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -53.33 111.4 0.69 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.84 1.256 . . . . 50.0 113.219 -173.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.82 -15.95 47.81 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 126.66 2.076 . . . . 50.0 115.569 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.41 163.22 21.81 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.353 1.576 . . . . 50.0 113.32 -173.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.8 p -135.84 21.47 3.3 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.959 1.096 . . . . 75.0 113.959 175.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -139.43 136.78 35.0 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.54 1.936 . . . . 75.0 107.559 164.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.5 p -66.84 160.01 26.95 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 114.422 1.267 . . . . 75.0 114.422 -171.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 t -125.04 -17.65 5.7 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.365 1.466 . . . . 50.0 112.437 173.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -128.64 146.97 50.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.602 0.761 . . . . 50.0 109.998 172.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.54 146.55 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 C-N-CA 124.843 1.257 . . . . 75.0 111.518 -170.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.3 mt -143.97 110.3 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.025 -1.472 . . . . 50.0 107.025 -166.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -76.65 149.85 36.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.926 0.89 . . . . 50.0 108.98 174.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.66 -173.95 26.74 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 114.567 0.587 . . . . 50.0 114.567 -175.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -68.35 125.39 12.83 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.267 2.645 . . . . 50.0 112.169 -174.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.98 -19.94 0.14 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.63 1.11 . . . . 50.0 115.632 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.6 tttt 62.3 -35.04 0.12 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 129.247 3.019 . . . . 75.0 116.416 -174.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -162.91 155.73 19.17 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.242 1.817 . . . . 0.0 109.274 -170.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -81.92 -27.28 33.42 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.37 0.878 . . . . 75.0 113.37 174.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 117.569 2.433 . . . . 75.0 117.569 -162.18 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.164 0 N-CA-C 113.923 0.329 . . . . 75.0 113.923 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 . . . . . 0 N--CA 1.467 0.411 0 O-C-N 121.433 -1.039 . . . . 50.0 111.66 179.609 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 120.975 0.417 . . . . 75.0 111.858 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -132.45 -7.46 3.3 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.692 1.997 . . . . 50.0 114.55 -174.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -121.05 -33.1 3.8 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.388 1.475 . . . . 50.0 112.036 172.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.94 72.88 10.01 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.823 1.297 . . . . 50.0 108.279 160.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -134.57 148.69 50.52 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.495 1.518 . . . . 0.0 110.378 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 60.0 tp -93.1 121.03 34.03 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.298 -1.371 . . . . 50.0 107.298 163.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.86 110.42 19.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 122.271 1.034 . . . . 75.0 109.66 162.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 CA--C 1.544 0.748 0 CA-C-N 115.289 -0.869 . . . . 50.0 110.451 169.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 121.62 0.724 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.36 -38.88 85.22 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.461 0.912 . . . . 75.0 113.461 -167.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.52 -27.98 66.5 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 121.662 -0.649 . . . . 50.0 113.59 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -85.97 -25.78 25.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.11 0.964 . . . . 75.0 111.873 174.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 tp -68.1 -42.95 79.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.781 0.833 . . . . 50.0 111.813 163.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.8 -37.46 66.1 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.635 1.174 . . . . 50.0 112.89 174.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.63 -36.82 83.49 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.649 -0.657 . . . . 50.0 112.254 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -63.92 -55.97 18.7 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.638 -0.664 . . . . 50.0 110.353 166.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.9 mt -57.84 -34.32 69.58 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.648 1.351 . . . . 50.0 114.648 -176.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -68.75 -32.47 72.26 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.574 1.149 . . . . 75.0 112.34 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -71.09 -44.52 65.51 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.054 0.843 . . . . 50.0 110.96 169.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -60.55 -28.11 68.19 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.688 1.595 . . . . 75.0 112.007 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.42 -55.7 9.57 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.624 -1.298 . . . . 50.0 113.358 169.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -65.0 -41.13 95.67 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.192 0.906 . . . . 50.0 112.637 -177.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -79.65 -15.53 57.42 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.436 1.494 . . . . 75.0 111.949 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.91 -42.84 2.03 Favored Glycine 0 CA--C 1.527 0.802 0 O-C-N 121.531 -0.731 . . . . 50.0 114.855 -176.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 p -99.57 158.31 15.84 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.97 1.308 . . . . 0.0 111.726 -173.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -68.63 -31.83 71.26 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.697 -0.627 . . . . 50.0 112.59 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -153.02 116.32 4.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.581 1.552 . . . . 50.0 110.621 169.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.4 p -80.47 -17.13 52.58 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.51 1.3 . . . . 50.0 114.51 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.98 -17.45 64.93 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -173.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -70.48 -22.55 62.65 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.213 1.005 . . . . 50.0 112.659 174.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -79.35 142.49 36.0 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.061 0.944 . . . . 50.0 112.495 -176.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -124.52 -34.83 2.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.095 1.358 . . . . 50.0 111.053 -171.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -147.99 174.94 11.4 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 122.295 1.045 . . . . 75.0 113.414 168.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -144.99 162.08 37.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 126.648 1.979 . . . . 50.0 110.861 175.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.0 p -138.0 124.75 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 C-N-CA 124.405 1.082 . . . . 50.0 109.953 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -96.97 123.51 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 124.831 1.252 . . . . 50.0 108.72 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.5 mp -105.98 109.38 21.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.265 1.826 . . . . 75.0 108.638 174.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.9 p -102.83 170.22 8.13 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.56 0.695 . . . . 0.0 110.533 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -56.05 163.75 1.45 Allowed 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.581 -0.699 . . . . 50.0 111.747 162.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 59.45 38.47 22.66 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.502 1.297 . . . . 50.0 114.502 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt 70.56 21.08 5.61 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.697 1.999 . . . . 75.0 114.495 170.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.71 135.75 20.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.216 -0.928 . . . . 50.0 112.719 172.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -146.83 111.76 5.37 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.344 2.258 . . . . 50.0 105.96 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -131.34 107.91 9.28 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.946 0.898 . . . . 50.0 110.706 -169.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -85.85 137.34 32.84 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.276 0.63 . . . . 0.0 110.932 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -142.92 118.2 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.303 1.441 . . . . 50.0 109.962 -172.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -82.42 125.78 31.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.49 0.662 . . . . 50.0 110.179 176.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.2 mt -82.68 -19.24 38.52 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.396 1.478 . . . . 50.0 113.023 -174.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -70.05 -5.09 24.25 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.626 1.713 . . . . 75.0 115.626 -175.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.8 p -145.83 156.1 51.88 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.775 1.23 . . . . 0.0 110.487 -171.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.53 163.21 38.11 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.65 3.566 . . . . 75.0 113.122 172.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -106.13 158.01 17.14 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.677 1.732 . . . . 50.0 115.677 -176.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.12 154.67 33.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.842 2.057 . . . . 0.0 113.231 165.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.91 -25.12 63.13 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.095 -1.003 . . . . 50.0 113.323 173.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.0 -42.38 72.42 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.222 1.009 . . . . 50.0 111.538 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -72.76 -39.07 67.09 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.938 1.295 . . . . 50.0 111.62 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.89 -14.4 8.95 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 114.071 1.137 . . . . 50.0 114.071 170.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -122.65 -13.45 7.94 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.557 1.143 . . . . 50.0 113.942 -169.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.3 128.67 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.757 1.162 . . . . 50.0 110.189 -176.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.63 121.11 18.21 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.358 0.599 . . . . 50.0 111.156 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.61 140.51 58.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.143 0.577 . . . . 50.0 109.79 168.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.22 -22.73 66.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.689 1.196 . . . . 50.0 113.718 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.12 -172.14 37.02 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.863 1.221 . . . . 50.0 112.881 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -68.56 148.86 49.92 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.143 1.377 . . . . 50.0 113.297 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 30.4 ttp -68.52 66.68 0.12 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.981 2.113 . . . . 50.0 114.81 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -48.85 -48.69 41.67 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.95 1.3 . . . . 50.0 114.021 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -149.35 161.63 41.67 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.334 1.054 . . . . 75.0 113.293 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.7 m -135.53 141.8 45.29 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.456 1.103 . . . . 0.0 110.147 160.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -118.52 142.5 47.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.153 1.781 . . . . 75.0 109.68 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -132.28 145.88 51.6 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.299 1.44 . . . . 50.0 112.131 -168.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -134.56 127.45 31.32 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 125.425 1.49 . . . . 50.0 109.552 -164.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 168.36 8.28 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.358 0.599 . . . . 50.0 111.963 173.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -46.33 107.98 0.12 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.73 1.612 . . . . 50.0 111.378 163.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.52 47.93 5.8 Favored Glycine 0 CA--C 1.543 1.788 0 N-CA-C 116.358 1.303 . . . . 50.0 116.358 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -128.98 163.6 24.99 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.498 1.649 . . . . 50.0 114.053 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.1 t -149.75 22.96 0.89 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.601 1.96 . . . . 75.0 112.617 174.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -151.72 133.71 15.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.859 1.663 . . . . 75.0 107.156 163.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.9 p -59.31 158.3 9.49 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 122.482 1.134 . . . . 75.0 114.024 -170.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.1 m -124.29 -14.97 6.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 113.53 -1.668 . . . . 50.0 112.556 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -142.24 144.63 33.42 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.053 1.741 . . . . 50.0 108.588 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.76 155.55 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.889 1.276 . . . . 75.0 111.712 -175.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -138.28 129.41 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 123.8 0.84 . . . . 50.0 108.87 -172.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -89.27 138.3 31.55 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 123.964 0.906 . . . . 50.0 109.476 174.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.4 -175.22 16.3 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 123.332 0.491 . . . . 50.0 113.555 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -67.43 124.82 12.52 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.951 2.434 . . . . 50.0 110.929 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 147.01 162.97 10.23 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 126.652 2.073 . . . . 50.0 109.833 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -141.6 -32.54 0.53 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.038 1.125 . . . . 75.0 114.038 -166.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -143.7 116.8 8.92 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.461 1.124 . . . . 0.0 113.554 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -70.28 -3.64 18.14 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.701 -1.25 . . . . 75.0 112.485 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 125.179 1.392 . . . . 50.0 113.234 -161.063 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.119 0 N-CA-C 118.451 2.141 . . . . 50.0 118.451 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 . . . . . 0 N--CA 1.461 0.092 0 C-N-CA 124.812 1.245 . . . . 50.0 111.441 179.187 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 114.622 1.342 . . . . 50.0 114.622 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -135.56 -22.82 1.46 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.266 1.426 . . . . 50.0 114.023 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -136.08 -26.85 1.14 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.763 1.225 . . . . 50.0 114.098 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.93 -14.5 61.94 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.754 1.02 . . . . 50.0 113.754 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -43.35 149.56 0.24 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.7 tp -94.44 112.32 24.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.772 -1.104 . . . . 50.0 108.162 160.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.9 132.46 45.27 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.809 1.644 . . . . 75.0 111.598 160.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 127.281 2.232 . . . . 50.0 113.986 -173.809 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 121.451 0.643 . . . . 0.0 111.706 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -34.34 69.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.791 0.836 . . . . 50.0 112.389 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -48.28 -35.12 14.13 Favored Glycine 0 CA--C 1.536 1.373 0 N-CA-C 115.714 1.046 . . . . 50.0 115.714 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -83.29 -36.7 24.28 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.27 1.035 . . . . 50.0 112.62 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.54 -39.7 81.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.295 0.638 . . . . 50.0 112.39 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.19 -41.71 68.86 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.457 1.103 . . . . 50.0 111.833 172.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.93 -28.65 67.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.468 1.107 . . . . 50.0 112.895 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -71.6 -55.86 6.97 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.575 -0.703 . . . . 50.0 110.725 166.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -66.65 -39.82 88.39 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.5 1.296 . . . . 50.0 114.5 -168.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -63.17 -33.91 76.48 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.317 0.962 . . . . 50.0 111.39 175.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -74.04 -39.73 63.34 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.841 -0.599 . . . . 50.0 112.057 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.14 -31.38 70.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.519 1.054 . . . . 75.0 113.217 172.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -48.32 81.82 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.833 -1.167 . . . . 50.0 112.897 171.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -65.42 -38.16 89.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.369 0.668 . . . . 50.0 112.394 176.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -75.48 -29.42 59.57 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.587 1.555 . . . . 75.0 114.611 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.24 -13.77 14.64 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 118.974 0.807 . . . . 75.0 115.098 -172.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.7 p -100.56 165.77 11.25 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.925 1.363 . . . . 0.0 112.383 169.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -71.61 -36.56 70.84 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.624 -0.673 . . . . 50.0 111.118 168.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -149.03 116.37 6.13 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.453 1.501 . . . . 50.0 112.746 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -75.91 -20.29 58.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.319 1.448 . . . . 50.0 114.152 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.21 -11.67 61.06 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -169.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -81.03 -12.41 59.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 75.0 113.486 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 84.3 m-85 -85.13 146.18 27.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.162 0.985 . . . . 50.0 112.707 -174.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -128.2 -27.5 2.7 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.005 1.322 . . . . 50.0 111.905 -166.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -153.33 171.63 18.29 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.709 0.803 . . . . 50.0 112.952 168.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -146.93 156.97 43.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.635 1.974 . . . . 50.0 111.632 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.51 143.23 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.023 1.329 . . . . 50.0 110.358 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -128.44 128.26 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.725 1.21 . . . . 50.0 108.572 -160.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.2 mt -118.58 128.0 54.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.387 1.075 . . . . 50.0 109.821 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -119.11 175.6 5.7 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.327 0.651 . . . . 0.0 112.549 -173.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -52.64 164.1 0.39 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 109.409 -0.589 . . . . 50.0 109.409 160.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 57.68 31.85 21.01 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.288 1.035 . . . . 50.0 113.242 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 55.37 28.54 11.61 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.908 2.883 . . . . 50.0 115.407 174.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.56 140.3 34.9 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 117.807 0.276 . . . . 50.0 112.884 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -137.9 130.08 28.98 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.811 2.044 . . . . 50.0 108.976 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -143.16 142.53 31.49 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.679 1.191 . . . . 50.0 109.904 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.7 t -132.74 142.42 49.02 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.459 1.027 . . . . 0.0 112.359 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -144.21 123.88 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.178 1.391 . . . . 50.0 110.288 -168.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -75.22 140.35 43.19 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.231 1.015 . . . . 50.0 111.296 170.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.3 mt -95.11 0.37 54.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.687 1.595 . . . . 50.0 112.199 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -66.13 -17.73 64.9 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.157 0.983 . . . . 75.0 113.553 169.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -152.09 153.86 31.76 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 127.348 2.259 . . . . 0.0 109.745 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.45 153.0 79.34 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.197 3.264 . . . . 75.0 112.074 168.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.11 134.62 32.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.778 1.631 . . . . 75.0 113.613 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.67 150.66 48.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.767 1.227 . . . . 0.0 112.191 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -65.13 -35.47 81.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.786 -1.196 . . . . 50.0 113.239 -171.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.36 -10.03 56.09 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.67 -1.268 . . . . 50.0 112.899 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -109.71 -25.72 10.24 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.13 1.772 . . . . 50.0 112.697 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -54.93 -26.08 33.75 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.666 -1.271 . . . . 50.0 111.965 160.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -112.55 8.2 19.15 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.081 1.752 . . . . 50.0 115.012 -176.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.7 p -84.37 139.97 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 121.559 1.982 . . . . 50.0 111.879 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -60.01 154.29 19.42 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.871 1.268 . . . . 50.0 113.187 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.7 mt -113.12 129.18 56.59 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.846 1.258 . . . . 50.0 110.715 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.8 mt -72.81 -31.95 65.19 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.037 0.935 . . . . 50.0 113.422 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -160.13 176.84 36.78 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.19 0.9 . . . . 75.0 114.54 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -66.32 157.61 31.25 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.992 1.717 . . . . 50.0 112.435 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 ttp -70.58 64.39 0.29 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.562 2.745 . . . . 50.0 113.79 -172.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -61.71 -38.79 89.16 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.423 -1.423 . . . . 50.0 114.398 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.2 152.42 30.34 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.025 0.93 . . . . 75.0 111.979 -176.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -143.35 144.15 31.96 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.671 -1.268 . . . . 0.0 109.988 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -124.24 153.79 41.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.009 1.323 . . . . 50.0 111.866 175.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -143.2 149.07 37.48 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.747 1.619 . . . . 50.0 111.612 -171.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -136.61 130.63 32.58 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.256 1.422 . . . . 50.0 109.059 -164.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 25.0 mttt -70.01 170.14 11.94 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.421 0.555 . . . . 75.0 111.086 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -53.12 123.02 10.61 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.933 -0.48 . . . . 50.0 111.487 170.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.56 36.87 18.71 Favored Glycine 0 CA--C 1.536 1.386 0 N-CA-C 115.431 0.932 . . . . 50.0 115.431 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -130.17 159.14 37.73 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.668 1.734 . . . . 50.0 113.816 -177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.1 p -144.19 13.48 1.62 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.976 1.71 . . . . 75.0 114.071 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -140.7 138.37 34.19 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.752 1.621 . . . . 75.0 107.468 160.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.4 p -58.51 161.5 4.5 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.787 1.403 . . . . 75.0 114.787 -168.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.6 t -123.28 -19.09 6.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.127 1.371 . . . . 50.0 112.502 170.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -142.25 145.63 34.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 125.196 1.398 . . . . 50.0 109.355 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.78 155.9 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.459 1.504 . . . . 75.0 112.244 -173.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 58.2 mt -133.31 127.69 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 107.801 -1.185 . . . . 50.0 107.801 -176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -91.26 139.59 30.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.775 1.63 . . . . 50.0 108.806 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.0 -178.64 29.49 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 121.371 -0.831 . . . . 50.0 114.614 -175.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -71.21 133.0 22.04 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 123.303 2.669 . . . . 50.0 112.312 -173.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 164.54 -17.18 0.11 Allowed Glycine 0 CA--C 1.538 1.521 0 C-N-CA 126.006 1.765 . . . . 50.0 115.136 175.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.2 tptt 62.77 -22.72 0.05 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.438 2.295 . . . . 75.0 117.04 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -175.47 159.62 2.44 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.789 2.036 . . . . 0.0 109.116 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -81.67 -23.73 36.7 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.208 -0.933 . . . . 75.0 112.167 168.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 N--CA 1.477 0.882 0 C-N-CA 126.123 1.769 . . . . 75.0 114.316 -163.673 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.393 0 N-CA-C 113.517 0.167 . . . . 50.0 113.517 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 122.374 1.083 . . . . 50.0 111.385 -173.859 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 113.653 0.982 . . . . 50.0 113.653 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -144.55 21.28 1.68 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.073 1.349 . . . . 50.0 112.09 168.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -155.43 -11.83 0.11 Allowed 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 116.999 2.222 . . . . 50.0 116.999 -162.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -120.32 -11.82 9.11 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.168 1.387 . . . . 75.0 112.776 178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -44.1 142.27 1.48 Allowed 'General case' 0 C--O 1.238 0.472 0 C-N-CA 127.861 2.464 . . . . 0.0 116.699 -170.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.2 tp -87.92 122.7 31.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.338 -1.301 . . . . 50.0 107.949 164.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -81.78 133.81 35.37 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.191 1.396 . . . . 75.0 111.678 162.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 CA--C 1.551 0.998 0 C-N-CA 129.196 2.998 . . . . 50.0 112.279 179.398 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.383 0.611 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -35.47 63.05 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.515 -0.755 . . . . 50.0 112.709 172.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.17 -53.47 46.04 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 119.964 1.256 . . . . 50.0 115.18 174.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -68.46 -39.68 81.35 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 117.954 0.877 . . . . 75.0 111.952 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.61 -46.55 88.63 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.983 0.735 . . . . 50.0 112.983 168.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.64 -41.96 91.66 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.481 1.113 . . . . 50.0 112.209 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -58.76 -42.26 88.51 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.375 0.534 . . . . 50.0 110.635 176.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -62.84 -55.97 21.53 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.437 0.695 . . . . 50.0 111.088 171.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.5 mt -65.18 -39.45 92.9 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.701 1.371 . . . . 50.0 114.701 -172.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -73.06 -22.51 60.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.665 1.12 . . . . 75.0 113.15 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -70.85 -39.71 72.79 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 117.489 -1.243 . . . . 50.0 113.165 162.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -54.4 -42.87 70.92 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.857 1.662 . . . . 75.0 113.651 -175.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.16 -43.13 99.17 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.466 1.03 . . . . 50.0 113.05 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -68.24 -44.22 76.17 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.5 1.045 . . . . 50.0 111.8 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -64.0 -17.86 63.73 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.737 2.015 . . . . 75.0 114.04 172.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.23 -41.01 0.38 Allowed Glycine 0 CA--C 1.536 1.386 0 N-CA-C 116.44 1.336 . . . . 75.0 116.44 -161.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 p -93.78 162.55 13.88 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.766 1.626 . . . . 0.0 111.384 -176.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.51 -33.36 69.16 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.42 -0.8 . . . . 50.0 113.004 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -153.05 89.27 1.36 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.369 2.268 . . . . 75.0 112.771 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -52.41 -29.68 25.49 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.889 2.076 . . . . 50.0 115.793 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.61 -20.47 60.72 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -168.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -70.91 -24.09 62.39 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.405 1.482 . . . . 50.0 113.692 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -73.27 152.05 41.13 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.011 0.924 . . . . 50.0 111.476 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.83 -30.37 2.27 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.062 -1.023 . . . . 75.0 113.514 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -148.56 170.52 17.9 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.464 0.913 . . . . 50.0 113.464 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -138.28 159.9 40.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 126.453 1.901 . . . . 50.0 111.795 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.7 p -145.71 144.56 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.646 1.579 . . . . 50.0 110.325 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 mt -130.91 131.71 64.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 125.584 1.553 . . . . 50.0 108.014 -167.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.51 116.01 27.46 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.477 1.111 . . . . 50.0 108.348 173.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.0 p -104.25 171.08 7.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.331 0.653 . . . . 0.0 111.098 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.59 162.71 1.54 Allowed 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.317 -0.865 . . . . 50.0 111.39 161.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 63.08 40.46 9.06 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.769 1.227 . . . . 50.0 114.235 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.8 mttt 62.93 24.26 14.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.265 1.826 . . . . 75.0 114.638 170.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.59 138.76 21.44 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 121.68 0.6 . . . . 50.0 113.264 173.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -142.9 123.87 14.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.59 2.356 . . . . 50.0 107.043 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -140.04 143.01 36.16 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.942 0.897 . . . . 50.0 110.086 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t -141.75 144.4 33.99 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.441 1.018 . . . . 0.0 112.648 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.5 t -143.15 133.22 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.174 1.39 . . . . 50.0 109.812 -175.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -78.91 127.95 32.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.83 0.824 . . . . 50.0 110.328 166.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.2 mt -79.58 -9.61 59.65 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.944 1.697 . . . . 50.0 114.287 -172.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -68.03 -9.39 45.45 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.746 1.387 . . . . 75.0 114.746 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.0 p -142.95 147.45 41.48 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 126.076 1.751 . . . . 0.0 110.304 -171.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.94 135.27 58.26 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.239 2.626 . . . . 50.0 110.842 161.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -74.8 158.04 34.13 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.049 1.129 . . . . 50.0 114.049 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.45 151.24 32.77 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.038 1.335 . . . . 0.0 113.507 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.42 -20.53 64.58 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.599 2.074 . . . . 50.0 116.599 -170.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.48 -46.37 80.03 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.343 1.428 . . . . 50.0 110.624 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -71.71 -22.59 61.61 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.34 1.056 . . . . 50.0 112.872 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.91 -21.22 60.81 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.632 0.604 . . . . 50.0 112.632 169.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -128.01 12.21 6.65 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.547 1.539 . . . . 75.0 114.132 -173.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -83.52 131.85 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.637 1.108 . . . . 50.0 109.852 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -78.59 135.8 37.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.654 1.181 . . . . 75.0 112.488 -171.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.3 mt -80.81 131.79 35.43 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.906 1.682 . . . . 50.0 110.542 170.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.02 -25.88 67.22 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.601 1.334 . . . . 50.0 114.601 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.86 -172.72 32.68 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.091 0.853 . . . . 50.0 114.163 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -68.84 152.87 44.74 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.697 1.999 . . . . 50.0 112.798 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 32.9 ttp -69.81 60.13 0.16 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.471 2.308 . . . . 50.0 114.686 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.48 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 15.7 t80 -51.34 -50.86 58.64 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.349 1.059 . . . . 50.0 113.602 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.48 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 15.0 ttpt -156.78 145.43 19.91 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 119.497 1.044 . . . . 75.0 112.953 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.7 m -132.22 150.68 52.1 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.074 1.35 . . . . 0.0 110.555 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -134.51 151.67 51.28 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.029 2.132 . . . . 50.0 111.862 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -145.82 146.05 31.01 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.656 1.183 . . . . 50.0 112.589 -169.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -133.73 136.91 44.93 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.835 1.254 . . . . 50.0 110.945 -163.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 164.04 26.33 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.781 0.719 . . . . 50.0 111.526 174.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -47.67 112.2 0.52 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.793 1.237 . . . . 50.0 112.258 175.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.68 6.21 70.54 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.44 1.495 . . . . 50.0 115.398 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -90.2 164.87 14.25 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.476 1.638 . . . . 50.0 112.984 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.2 p -138.22 -4.07 1.72 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.416 1.886 . . . . 75.0 114.432 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -129.46 139.68 51.53 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.498 1.919 . . . . 75.0 108.329 166.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 t -67.18 156.53 36.0 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.299 0.851 . . . . 75.0 113.299 -170.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.5 t -122.99 -18.68 6.33 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.299 1.84 . . . . 50.0 113.66 173.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -129.06 138.6 51.97 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.346 0.976 . . . . 50.0 109.909 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.12 151.39 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 125.295 1.438 . . . . 50.0 110.808 -172.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.2 mt -144.14 124.48 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 107.694 -1.225 . . . . 50.0 107.694 -170.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -98.4 137.03 37.69 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.026 1.33 . . . . 50.0 109.225 -175.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.34 -176.52 23.43 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.46 0.552 . . . . 50.0 113.649 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.8 136.06 34.54 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.033 2.489 . . . . 75.0 111.772 -173.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 133.92 157.66 8.33 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 127.941 2.686 . . . . 50.0 109.074 -171.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -135.26 -28.31 1.16 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.626 1.713 . . . . 75.0 115.626 -171.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.1 t -146.5 128.11 15.15 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.294 1.406 . . . . 0.0 112.357 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -71.04 -4.79 26.83 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.848 0.684 . . . . 50.0 112.848 172.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 114.543 1.312 . . . . 50.0 114.543 -169.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.593 0 CA-C-O 121.09 0.272 . . . . 50.0 113.665 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 122.245 1.021 . . . . 50.0 111.868 178.388 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 112.36 0.504 . . . . 75.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -126.84 -9.95 6.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.94 1.696 . . . . 50.0 114.508 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.84 -20.3 5.04 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.891 1.441 . . . . 50.0 114.891 -175.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -96.39 9.32 41.61 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.768 1.227 . . . . 75.0 112.11 171.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.1 t -57.14 165.7 1.28 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.805 2.042 . . . . 0.0 114.785 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.1 tp -110.07 142.47 41.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.445 1.898 . . . . 50.0 107.028 161.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.7 149.4 26.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 123.605 1.669 . . . . 75.0 112.397 162.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 112.301 -2.227 . . . . 50.0 112.113 -172.629 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.1 mt -57.81 -37.89 74.57 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 118.452 -0.785 . . . . 50.0 111.331 169.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.06 -43.07 62.15 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 119.808 1.185 . . . . 50.0 113.687 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -76.85 -39.08 52.42 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.923 1.289 . . . . 50.0 112.83 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.1 tp -73.09 -42.58 62.83 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.387 0.884 . . . . 50.0 113.387 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -62.37 -41.25 98.47 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.986 1.715 . . . . 50.0 111.105 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.91 -39.32 93.9 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.37 -0.831 . . . . 50.0 111.862 171.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -55.82 -57.28 12.7 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.653 0.781 . . . . 50.0 110.807 170.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.77 -34.36 78.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.096 0.958 . . . . 50.0 113.305 -171.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mtt-85 -64.61 -34.03 77.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.305 0.642 . . . . 75.0 111.874 170.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -72.36 -40.49 67.3 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.478 0.547 . . . . 50.0 112.478 172.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.23 -38.09 73.24 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.241 0.83 . . . . 75.0 113.241 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.33 -50.94 71.63 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.886 -1.134 . . . . 50.0 112.785 172.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -58.71 -42.2 88.12 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.329 0.968 . . . . 50.0 111.976 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -65.02 -32.43 74.15 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 127.488 2.315 . . . . 50.0 114.564 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.05 -27.3 2.28 Favored Glycine 0 CA--C 1.538 1.508 0 N-CA-C 115.612 1.005 . . . . 75.0 115.612 -161.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.8 p -93.33 165.84 12.59 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.625 1.212 . . . . 0.0 113.447 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -73.51 -36.16 65.71 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.685 -0.634 . . . . 75.0 110.51 170.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -149.2 148.96 30.22 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.403 2.281 . . . . 50.0 110.3 171.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -105.64 -19.99 13.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.921 1.688 . . . . 75.0 113.448 176.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.97 -24.59 67.78 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 -168.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.7 pm0 -79.72 -17.94 52.4 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.018 1.727 . . . . 50.0 112.773 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -73.65 153.67 40.04 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 122.128 0.966 . . . . 50.0 111.407 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -131.3 -40.67 1.12 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.598 1.559 . . . . 50.0 111.576 -171.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -144.88 171.9 13.78 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.845 0.831 . . . . 50.0 113.189 174.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -136.6 164.0 29.24 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 125.947 1.699 . . . . 50.0 111.138 167.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.5 p -138.1 130.35 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 125.257 1.423 . . . . 50.0 109.408 172.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.3 mt -110.47 131.68 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 125.046 1.338 . . . . 50.0 107.864 -170.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.7 mt -115.34 108.07 16.06 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.287 1.035 . . . . 50.0 109.786 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.1 p -100.59 167.57 10.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.823 0.849 . . . . 0.0 111.853 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -52.63 159.64 1.03 Allowed 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.132 -0.98 . . . . 50.0 111.229 160.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 60.35 42.41 14.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.317 1.047 . . . . 50.0 113.307 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt 63.82 13.19 7.31 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.452 2.301 . . . . 50.0 114.929 166.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.0 126.13 22.98 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.561 0.601 . . . . 50.0 112.077 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -128.81 110.99 12.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.402 1.881 . . . . 50.0 106.498 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -124.17 103.39 8.23 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.237 0.615 . . . . 50.0 110.872 -171.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 m -72.16 138.45 47.65 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.677 0.791 . . . . 0.0 110.208 167.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.5 t -138.71 126.36 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.019 1.327 . . . . 50.0 109.573 171.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -86.3 115.15 23.66 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.952 0.901 . . . . 50.0 110.067 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.87 -23.68 44.73 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.77 1.628 . . . . 50.0 112.645 -174.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -67.94 7.99 0.46 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 126.241 1.817 . . . . 50.0 114.579 175.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.86 142.46 17.9 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 126.985 2.114 . . . . 0.0 110.07 169.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -50.04 144.52 21.83 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 125.206 3.937 . . . . 50.0 113.163 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -55.96 141.19 40.54 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.108 0.781 . . . . 50.0 113.108 -174.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.01 118.48 7.89 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.85 0.46 . . . . 0.0 110.436 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.98 -19.36 61.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.566 1.321 . . . . 50.0 114.566 -171.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -65.18 -24.94 67.51 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.813 1.245 . . . . 75.0 113.3 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -58.76 -23.48 60.11 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.824 1.25 . . . . 50.0 112.592 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.18 -10.22 56.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.457 1.103 . . . . 50.0 113.262 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -126.21 -4.08 6.81 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.123 1.369 . . . . 50.0 113.87 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 p -80.86 146.01 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 120.852 -1.155 . . . . 50.0 110.897 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -77.83 156.41 30.46 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.53 1.132 . . . . 50.0 113.029 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.15 121.37 43.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.636 1.574 . . . . 50.0 109.414 170.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.2 mt -53.11 -30.7 38.0 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.599 1.56 . . . . 50.0 114.164 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.07 -172.53 35.15 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.576 1.084 . . . . 50.0 113.174 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -63.82 148.31 49.63 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.079 1.752 . . . . 50.0 114.223 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttt -66.68 64.48 0.05 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 128.327 2.651 . . . . 50.0 113.735 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -58.29 -49.02 78.63 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.412 -1.43 . . . . 50.0 113.26 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -156.88 158.65 37.1 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.78 0.659 . . . . 75.0 112.78 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.3 m -141.0 148.18 39.89 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.606 1.562 . . . . 0.0 110.515 171.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -126.09 151.17 47.55 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.552 1.541 . . . . 50.0 111.847 174.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -132.18 151.22 51.91 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.032 1.333 . . . . 50.0 112.197 -170.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -140.48 130.89 25.27 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.148 0.979 . . . . 50.0 110.377 -166.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.33 176.99 8.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.039 1.336 . . . . 50.0 109.789 169.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -49.06 119.9 3.57 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.679 0.622 . . . . 50.0 112.679 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.94 1.74 49.15 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 118.24 2.056 . . . . 50.0 118.24 172.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -64.93 160.1 21.39 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 120.876 2.338 . . . . 50.0 114.538 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 63.5 p -129.62 6.54 5.19 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.923 1.689 . . . . 75.0 114.348 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -140.34 136.52 33.28 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.749 -1.22 . . . . 75.0 109.568 161.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 t -70.22 157.39 37.75 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.385 0.883 . . . . 50.0 113.385 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -130.63 7.06 4.81 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.449 2.299 . . . . 50.0 112.596 167.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -143.15 132.98 23.98 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.587 1.54 . . . . 50.0 111.144 170.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -147.97 153.01 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.607 0 C-N-CA 123.999 0.92 . . . . 75.0 111.626 -169.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.7 mt -142.72 137.91 27.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 124.077 0.951 . . . . 50.0 108.607 -164.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -108.29 156.14 19.71 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.189 1.396 . . . . 75.0 110.965 -170.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.61 -170.77 34.49 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 115.295 0.878 . . . . 50.0 115.295 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -67.16 133.51 30.97 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 123.133 2.555 . . . . 50.0 111.159 -178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 149.27 156.29 7.12 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 127.944 2.688 . . . . 50.0 109.636 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -131.72 -26.3 2.02 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.806 1.039 . . . . 75.0 113.806 -165.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.4 t -156.34 142.18 17.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.395 1.078 . . . . 0.0 110.231 168.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -78.93 -18.37 53.94 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.508 -0.745 . . . . 50.0 111.828 168.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 115.329 1.604 . . . . 50.0 115.329 -174.311 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.923 0 N-CA-C 111.345 -0.702 . . . . 50.0 111.345 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 . . . . . 0 CA--C 1.52 -0.173 0 C-N-CA 123.471 0.708 . . . . 50.0 112.643 -177.369 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 113.357 0.873 . . . . 50.0 113.357 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -140.89 21.13 2.31 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.148 0.979 . . . . 50.0 113.227 167.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -167.04 -35.7 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.252 1.421 . . . . 50.0 113.325 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -78.79 -8.91 59.21 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.825 1.046 . . . . 75.0 113.825 -173.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.3 t -39.09 166.35 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 131.096 3.758 . . . . 0.0 117.55 172.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 29.2 tp -103.28 117.65 34.98 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.506 1.522 . . . . 50.0 107.461 160.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -78.36 111.92 14.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.938 1.695 . . . . 75.0 110.429 162.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 127.723 2.409 . . . . 50.0 114.32 -172.264 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 p . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 121.718 0.77 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.09 -32.57 73.98 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.303 1.223 . . . . 75.0 114.303 -169.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.82 -40.22 33.65 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 119.085 0.857 . . . . 50.0 114.569 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -65.58 -37.93 88.06 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.18 0.99 . . . . 50.0 113.345 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -72.53 -39.21 67.7 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.16 0.584 . . . . 50.0 111.632 175.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.58 -40.57 75.45 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.355 0.98 . . . . 50.0 112.691 173.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -63.7 -47.06 82.66 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.106 0.562 . . . . 50.0 110.48 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -59.06 -46.07 89.19 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.23 1.012 . . . . 50.0 112.096 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.15 -40.79 78.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.836 1.254 . . . . 50.0 113.6 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -65.06 -26.87 68.43 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.864 -0.589 . . . . 75.0 111.406 173.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.72 -42.57 58.09 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.849 0.685 . . . . 50.0 112.849 167.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -57.35 -28.68 63.35 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.379 1.251 . . . . 75.0 114.379 172.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.76 -50.99 64.66 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 120.867 -1.145 . . . . 50.0 113.116 167.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -70.72 -34.98 72.48 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.964 0.727 . . . . 50.0 112.964 -175.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -68.39 -32.81 73.14 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.914 1.286 . . . . 50.0 113.339 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.43 -22.09 5.93 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 116.447 1.339 . . . . 75.0 116.447 -162.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.1 p -105.69 161.95 13.95 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.515 1.126 . . . . 0.0 112.715 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -64.16 -37.26 86.82 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.856 -0.527 . . . . 50.0 111.383 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -157.48 115.01 3.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.824 1.65 . . . . 50.0 112.903 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -61.73 -31.05 71.19 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.794 1.238 . . . . 75.0 114.2 170.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.8 -13.41 62.1 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -164.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -78.09 -19.25 54.56 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.505 1.048 . . . . 50.0 113.003 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -78.95 150.15 32.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.939 0.896 . . . . 50.0 111.209 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -123.85 -29.43 3.68 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.374 0.879 . . . . 75.0 113.374 -176.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -151.04 172.24 16.05 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 122.078 0.942 . . . . 50.0 112.64 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -142.57 157.99 44.13 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.119 1.767 . . . . 50.0 111.13 177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.12 141.99 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.431 1.493 . . . . 50.0 109.306 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.2 mt -128.7 119.82 50.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.303 -1.369 . . . . 50.0 107.303 -164.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -105.87 132.89 51.43 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.419 1.087 . . . . 75.0 108.755 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.2 p -118.58 168.26 10.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.641 0.776 . . . . 0.0 111.178 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.64 171.88 1.41 Allowed 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.681 -0.637 . . . . 50.0 110.389 160.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 56.52 32.74 21.36 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.659 1.183 . . . . 50.0 112.926 -177.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt 63.45 21.69 12.88 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 130.191 3.396 . . . . 50.0 117.538 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.0 152.25 41.87 Favored Glycine 0 CA--C 1.54 1.629 0 N-CA-C 115.746 1.058 . . . . 50.0 115.746 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -142.97 136.74 28.81 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 128.544 2.738 . . . . 50.0 107.286 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -146.03 144.45 30.08 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.95 1.3 . . . . 50.0 109.613 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -134.99 139.29 44.77 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 119.791 1.178 . . . . 0.0 112.965 -178.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.0 t -146.46 126.31 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.689 1.196 . . . . 50.0 111.193 -171.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.05 139.12 52.58 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.849 0.86 . . . . 50.0 112.236 169.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.6 mt -93.83 -14.0 26.64 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.328 2.251 . . . . 50.0 112.864 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -66.56 -12.47 57.92 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.379 -0.826 . . . . 75.0 112.762 170.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.8 p -145.69 146.75 30.41 Favored Pre-proline 0 C--O 1.238 0.461 0 C-N-CA 126.274 1.83 . . . . 0.0 110.489 -166.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.71 144.35 99.53 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.74 2.294 . . . . 50.0 110.879 163.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -68.48 131.24 44.93 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.785 0.72 . . . . 50.0 111.756 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.18 163.07 8.66 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -173.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.76 -34.54 53.53 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 116.145 1.906 . . . . 50.0 116.145 -170.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -78.2 -36.0 47.84 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.884 -1.135 . . . . 50.0 111.831 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.22 -26.85 65.01 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.635 1.574 . . . . 50.0 111.746 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -59.32 -29.59 67.75 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.255 1.022 . . . . 50.0 112.733 170.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -127.67 5.99 6.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.727 1.211 . . . . 50.0 114.081 -164.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.8 p -57.88 141.32 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.754 1.222 . . . . 50.0 110.793 168.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -78.16 127.93 33.01 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.628 1.171 . . . . 50.0 111.313 -167.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.83 120.27 23.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.62 0.768 . . . . 50.0 110.953 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.47 -31.74 69.0 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.649 1.579 . . . . 50.0 114.011 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.88 -175.91 39.22 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.913 1.244 . . . . 50.0 111.695 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -57.16 145.25 31.94 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.784 0.834 . . . . 50.0 111.237 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -57.2 116.69 3.42 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.849 -0.797 . . . . 50.0 108.849 167.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.35 -55.69 3.56 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.73 -0.841 . . . . 50.0 108.73 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -154.44 142.05 19.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.078 0.951 . . . . 75.0 110.948 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.2 m -117.32 146.06 43.6 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.808 1.243 . . . . 0.0 109.194 173.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -128.44 148.09 50.7 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.087 1.755 . . . . 50.0 110.971 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -137.67 140.24 40.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.675 1.19 . . . . 50.0 112.03 -168.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -129.13 130.37 46.35 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.083 1.353 . . . . 50.0 110.821 -165.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -75.43 162.02 28.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.201 0.6 . . . . 75.0 112.222 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -46.72 108.25 0.13 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.438 1.895 . . . . 50.0 112.168 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.14 23.31 41.4 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.982 1.153 . . . . 50.0 115.982 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -120.69 170.79 9.1 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.202 1.501 . . . . 50.0 112.554 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 p -142.59 -4.45 0.97 Allowed 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.922 1.823 . . . . 75.0 115.922 -167.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -130.24 135.99 48.72 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.157 1.783 . . . . 75.0 107.866 167.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.7 p -61.85 166.39 4.52 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.851 1.056 . . . . 75.0 113.851 -168.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.6 t -133.44 -12.79 2.7 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.499 0.926 . . . . 50.0 113.499 170.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -135.14 141.77 46.03 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.131 1.372 . . . . 50.0 108.484 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.94 154.77 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 126.285 1.834 . . . . 50.0 110.845 -172.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.1 mt -148.8 141.78 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 123.808 0.843 . . . . 50.0 108.877 -171.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -99.18 158.0 15.98 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.406 1.482 . . . . 75.0 110.543 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.61 -172.22 12.5 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.307 -0.871 . . . . 50.0 114.203 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -79.9 30.87 0.48 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 123.837 3.025 . . . . 50.0 113.518 -174.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.37 156.94 21.53 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 127.185 2.326 . . . . 75.0 110.961 171.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -129.0 -18.21 3.78 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.588 1.555 . . . . 75.0 113.671 -160.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.7 t -157.32 143.61 17.9 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.086 1.355 . . . . 0.0 109.628 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -70.22 -31.25 68.59 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.351 -0.843 . . . . 75.0 111.536 173.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 125.998 1.719 . . . . 50.0 112.192 -176.547 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.402 0 N-CA-C 116.08 1.192 . . . . 50.0 116.08 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 . . . . . 0 N--CA 1.466 0.363 0 O-C-N 121.265 -1.138 . . . . 50.0 113.51 175.006 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 114.989 1.478 . . . . 50.0 114.989 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -132.81 -24.06 1.97 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.681 1.592 . . . . 50.0 112.981 168.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.61 -6.69 0.52 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.946 1.462 . . . . 50.0 114.946 178.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -66.31 -21.54 66.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.039 0.936 . . . . 50.0 111.955 172.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.0 t -47.81 153.85 0.57 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 118.508 2.781 . . . . 0.0 118.508 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 55.7 tp -104.38 128.98 52.32 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.462 1.905 . . . . 50.0 107.236 160.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 131.37 34.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 126.062 1.745 . . . . 75.0 110.437 160.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.47 0.529 0 CA-C-N 114.545 -1.207 . . . . 50.0 112.242 -179.652 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 120.932 0.396 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -56.83 -31.69 65.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 118.325 -0.845 . . . . 50.0 112.997 173.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.69 -27.62 13.3 Favored Glycine 0 CA--C 1.538 1.498 0 N-CA-C 115.844 1.098 . . . . 50.0 115.844 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -101.01 -45.15 5.5 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.426 1.113 . . . . 50.0 112.469 173.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.74 -42.1 96.67 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.093 0.775 . . . . 50.0 113.093 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.94 -35.66 73.49 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.459 1.027 . . . . 50.0 112.312 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -72.35 -32.0 66.1 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.708 -0.62 . . . . 50.0 111.925 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -73.99 -38.34 64.16 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.604 -0.685 . . . . 50.0 112.528 168.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.04 -34.11 72.84 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.546 1.521 . . . . 50.0 113.418 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -61.52 -36.98 82.06 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.966 0.803 . . . . 75.0 111.122 165.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.29 -46.14 81.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.07 -0.966 . . . . 50.0 111.687 170.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -56.13 -31.65 63.51 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 120.445 1.475 . . . . 75.0 114.256 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mt -67.45 -51.01 56.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 119.77 1.168 . . . . 50.0 112.921 171.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -69.01 -35.37 76.6 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.887 0.699 . . . . 50.0 112.887 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -82.73 -17.83 42.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.413 2.285 . . . . 75.0 113.347 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.89 0.94 8.48 Favored Glycine 0 CA--C 1.533 1.205 0 N-CA-C 116.477 1.351 . . . . 75.0 116.477 -172.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -125.83 166.52 16.7 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.513 1.657 . . . . 0.0 113.385 170.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -74.72 -34.49 62.58 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.284 1.034 . . . . 50.0 111.987 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -151.88 117.61 5.42 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.291 1.836 . . . . 50.0 111.045 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.3 p -83.54 -14.95 51.07 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.964 1.468 . . . . 50.0 114.964 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.44 62.65 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -172.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -75.53 -18.92 59.65 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.732 1.213 . . . . 75.0 112.903 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -82.62 150.93 26.56 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.995 0.918 . . . . 50.0 112.096 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -132.55 -34.71 1.17 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.019 0.928 . . . . 50.0 112.556 -166.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -151.26 175.67 11.97 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.801 0.81 . . . . 75.0 112.266 171.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -147.24 164.9 31.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.827 -1.533 . . . . 50.0 112.669 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.3 p -141.91 144.33 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 125.577 1.551 . . . . 50.0 109.403 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.4 mt -129.77 127.8 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 125.418 1.487 . . . . 50.0 107.834 -162.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.3 mt -111.71 123.86 51.12 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.354 1.062 . . . . 50.0 108.411 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.8 p -112.02 167.83 10.08 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 122.034 0.921 . . . . 0.0 111.763 -174.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -50.0 154.63 1.08 Allowed 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.042 -0.981 . . . . 75.0 109.621 160.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 56.25 36.67 27.86 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.975 1.31 . . . . 50.0 114.37 -175.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt 55.74 29.33 13.64 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.57 2.348 . . . . 50.0 115.674 172.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.29 147.95 46.61 Favored Glycine 0 CA--C 1.535 1.307 0 O-C-N 121.317 -0.864 . . . . 50.0 112.971 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -142.39 125.2 16.02 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.571 2.349 . . . . 50.0 108.075 177.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -144.81 144.13 30.99 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.009 1.324 . . . . 50.0 110.405 -173.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.0 t -135.16 140.42 45.37 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.521 1.055 . . . . 0.0 111.963 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.3 t -143.73 145.89 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.445 1.498 . . . . 50.0 108.625 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -91.58 142.74 27.31 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 122.18 0.991 . . . . 50.0 111.486 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.3 mt -87.6 -12.33 45.96 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.289 1.435 . . . . 50.0 111.633 176.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -56.39 -27.71 57.09 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.393 1.477 . . . . 75.0 114.111 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -148.87 163.03 27.44 Favored Pre-proline 0 C--O 1.239 0.546 0 C-N-CA 126.914 2.085 . . . . 0.0 108.687 -169.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -67.76 148.99 78.35 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.942 2.428 . . . . 75.0 110.255 160.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.16 153.18 44.26 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.287 0.847 . . . . 50.0 113.287 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.5 159.53 34.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.416 1.086 . . . . 0.0 113.517 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -51.84 -31.79 29.14 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.799 1.239 . . . . 50.0 114.222 173.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.57 -10.68 59.17 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.365 1.466 . . . . 50.0 113.115 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -120.82 -23.89 5.82 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.786 2.034 . . . . 50.0 112.052 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -56.85 -29.11 62.55 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.731 -1.231 . . . . 50.0 113.207 169.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -122.81 9.43 9.46 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.196 1.398 . . . . 75.0 113.619 -170.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.1 p -70.7 131.11 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.296 0.953 . . . . 50.0 110.572 174.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.0 mp0 -78.03 119.87 22.06 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.659 -0.651 . . . . 50.0 111.686 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.38 137.38 56.84 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.255 1.422 . . . . 50.0 111.67 171.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.38 -23.54 65.59 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.956 1.303 . . . . 50.0 114.134 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.16 -174.08 40.72 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.007 1.289 . . . . 50.0 112.599 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -57.8 145.6 34.43 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.288 1.035 . . . . 50.0 111.804 171.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -55.36 131.54 45.98 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.398 0.679 . . . . 50.0 109.591 166.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -123.96 -34.57 2.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 119.134 -0.46 . . . . 50.0 112.134 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -137.93 153.46 49.5 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.476 1.11 . . . . 75.0 110.561 166.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.3 m -136.47 144.8 44.56 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.218 1.007 . . . . 0.0 109.225 161.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CD2' ' CG1' ' A' ' 109' ' ' VAL . 59.4 m-85 -125.6 137.48 53.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.467 1.907 . . . . 50.0 109.682 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -131.52 144.37 51.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.848 1.259 . . . . 50.0 112.32 -169.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -130.52 132.52 45.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.512 1.525 . . . . 50.0 110.191 -166.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.33 163.98 26.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.764 0.711 . . . . 50.0 111.413 173.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -50.52 106.77 0.13 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.406 1.083 . . . . 50.0 113.127 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.81 -11.05 34.99 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.927 1.727 . . . . 50.0 115.721 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -91.77 157.25 17.01 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.907 1.854 . . . . 50.0 114.897 -167.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.2 m -137.09 23.18 3.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.2 2.2 . . . . 50.0 113.014 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -148.04 140.07 24.08 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.067 1.747 . . . . 75.0 107.575 160.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.6 p -64.28 165.06 10.05 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.837 1.421 . . . . 75.0 114.837 -171.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.8 t -131.73 -10.24 3.52 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.996 1.319 . . . . 50.0 112.725 165.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -140.22 138.63 35.25 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.982 1.313 . . . . 50.0 109.101 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.423 ' CG1' ' CD2' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -154.63 155.4 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.77 1.628 . . . . 50.0 112.585 -167.506 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -151.6 137.37 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.407 0.683 . . . . 50.0 109.379 -167.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -91.85 149.27 21.66 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.139 1.376 . . . . 75.0 110.374 172.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.35 177.95 18.16 Favored Glycine 0 N--CA 1.478 1.471 0 CA-C-O 118.913 -0.937 . . . . 50.0 115.289 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.55 26.34 0.39 Allowed 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 125.198 3.932 . . . . 50.0 116.117 -169.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.86 -165.62 41.45 Favored Glycine 0 CA--C 1.539 1.563 0 N-CA-C 108.352 -1.899 . . . . 50.0 108.352 160.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -138.39 -18.41 1.12 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.848 1.259 . . . . 75.0 112.932 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -166.02 172.98 10.85 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 128.268 2.627 . . . . 0.0 107.977 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -87.42 -31.49 20.03 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.946 -1.096 . . . . 75.0 111.73 161.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 125.075 1.35 . . . . 50.0 112.021 178.723 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 N-CA-C 119.09 2.396 . . . . 50.0 119.09 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 . . . . . 0 N--CA 1.467 0.409 0 C-N-CA 124.757 1.223 . . . . 50.0 111.488 167.167 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 113.667 0.988 . . . . 50.0 113.667 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -140.37 13.4 2.37 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.163 1.385 . . . . 50.0 112.887 170.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -168.6 -24.63 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.165 1.786 . . . . 50.0 114.148 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.64 -24.35 63.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.247 1.019 . . . . 50.0 113.405 172.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -41.95 157.24 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 131.424 3.89 . . . . 0.0 121.026 -174.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 39.2 tp -102.11 127.0 49.21 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 126.765 2.026 . . . . 50.0 107.858 160.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -91.79 113.8 26.16 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.719 2.408 . . . . 75.0 111.198 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 CA--C 1.546 0.794 0 C-N-CA 127.204 2.201 . . . . 50.0 112.52 173.33 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.582 0.706 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.16 -34.68 78.96 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.533 0.938 . . . . 75.0 113.533 -167.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.25 -44.03 89.28 Favored Glycine 0 N--CA 1.471 0.971 0 CA-C-N 120.219 1.372 . . . . 50.0 114.81 175.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -67.56 -37.93 83.39 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.858 0.863 . . . . 75.0 111.149 176.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.75 -41.97 91.51 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.82 0.674 . . . . 50.0 112.82 174.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.77 -37.67 79.7 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.561 1.144 . . . . 50.0 112.448 174.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -67.99 -39.54 83.24 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.257 1.023 . . . . 50.0 111.469 176.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -65.16 -51.3 61.99 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.179 0.992 . . . . 50.0 112.296 170.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 mt -67.64 -33.47 75.03 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.437 1.273 . . . . 50.0 114.437 -175.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -62.8 -32.22 73.36 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.657 1.117 . . . . 75.0 111.169 169.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -74.48 -38.76 62.81 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.403 0.89 . . . . 50.0 113.403 171.071 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -64.37 -30.13 71.18 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.628 1.104 . . . . 75.0 113.639 172.064 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -49.77 76.21 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.742 -1.224 . . . . 50.0 112.826 173.38 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.19 -46.39 90.67 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.327 0.651 . . . . 50.0 112.292 178.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -76.87 -18.25 58.46 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.655 1.724 . . . . 75.0 115.655 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.16 -6.56 27.69 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 118.756 0.707 . . . . 75.0 114.01 -171.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.7 p -115.98 174.64 5.93 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -79.96 -40.62 27.64 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.894 0.878 . . . . 50.0 110.188 172.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.5 157.62 44.3 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.796 2.438 . . . . 75.0 109.729 168.627 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.9 t -126.21 -9.28 6.45 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.171 1.174 . . . . 50.0 114.171 -175.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.09 -26.35 66.68 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -177.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.7 pm0 -83.45 -9.8 58.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.89 2.076 . . . . 50.0 113.127 -171.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 70.3 m-85 -74.33 155.34 38.29 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.66 1.184 . . . . 50.0 113.038 179.291 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -126.97 -39.92 1.91 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.139 1.376 . . . . 50.0 111.716 -170.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -156.43 175.1 14.47 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.735 1.214 . . . . 75.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -147.68 160.94 42.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.969 -1.469 . . . . 50.0 113.566 177.076 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.2 t -139.14 140.9 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 126.445 1.898 . . . . 75.0 109.97 176.646 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.81 138.62 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 126.028 1.731 . . . . 50.0 108.688 177.409 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.1 mt -119.92 118.81 31.7 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.591 1.156 . . . . 50.0 108.698 169.409 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.9 p -102.48 174.14 6.03 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.754 0.822 . . . . 0.0 112.12 -175.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.34 163.85 0.37 Allowed 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.451 -0.781 . . . . 50.0 110.343 160.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 60.34 32.21 20.63 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.398 1.079 . . . . 50.0 112.823 174.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt 52.0 27.51 4.49 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 129.5 3.12 . . . . 50.0 116.156 179.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.2 145.91 49.97 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.592 -0.693 . . . . 50.0 113.4 172.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -137.1 132.65 34.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 127.516 2.326 . . . . 50.0 108.667 173.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -143.52 144.06 31.81 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.527 1.131 . . . . 50.0 110.493 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 t -135.92 143.07 44.76 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.605 0.762 . . . . 0.0 112.571 177.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.9 t -143.1 135.39 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.865 1.266 . . . . 50.0 108.459 175.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -76.36 153.07 36.1 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.16 0.981 . . . . 50.0 111.239 170.07 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -109.54 -15.35 14.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.656 1.982 . . . . 50.0 112.025 -178.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -58.56 -15.52 11.69 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.172 0.804 . . . . 75.0 113.172 163.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.2 p -148.15 157.5 42.73 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.967 1.707 . . . . 0.0 110.752 -176.374 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -63.25 152.98 77.08 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.713 2.942 . . . . 50.0 112.881 162.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -61.2 151.89 30.25 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.634 1.346 . . . . 50.0 114.634 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.31 156.9 35.1 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 174.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -55.52 -35.63 65.84 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 116.439 2.014 . . . . 50.0 116.439 -166.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -84.79 -25.41 28.2 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 120.774 1.625 . . . . 75.0 112.718 -174.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.2 mtt85 -62.1 -20.73 64.34 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.372 1.069 . . . . 50.0 111.816 168.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -65.14 -27.74 68.93 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.4 -0.813 . . . . 50.0 112.896 176.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -121.85 -7.38 9.0 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.014 1.487 . . . . 50.0 115.014 -167.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.32 126.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 119.035 0.834 . . . . 50.0 111.317 -178.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.61 125.94 28.22 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.392 1.077 . . . . 50.0 111.285 177.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.39 132.06 44.27 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.423 1.489 . . . . 50.0 111.46 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.52 -25.89 66.45 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.021 1.328 . . . . 50.0 113.815 178.001 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.55 -174.95 38.33 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.777 1.18 . . . . 50.0 113.817 177.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -68.66 154.38 42.03 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.241 1.416 . . . . 50.0 113.435 176.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.4 ttp -72.15 68.05 0.7 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.837 2.055 . . . . 50.0 114.901 -173.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -55.15 -44.3 75.0 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.618 -1.302 . . . . 50.0 113.823 178.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -157.44 153.4 27.1 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.907 1.077 . . . . 50.0 113.907 -177.126 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.0 m -137.45 151.01 48.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.362 1.465 . . . . 0.0 110.435 176.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -136.55 140.19 42.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.401 2.28 . . . . 50.0 110.36 -169.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -140.52 150.23 43.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.493 1.117 . . . . 50.0 112.784 -170.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -139.63 131.55 27.72 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.681 1.193 . . . . 50.0 109.544 -164.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -70.87 169.62 14.33 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 118.947 0.794 . . . . 50.0 112.818 171.915 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.45 40.73 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 130.046 3.338 . . . . 50.0 114.555 174.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.87 30.31 0.02 OUTLIER Glycine 0 CA--C 1.536 1.359 0 C-N-CA 127.48 2.467 . . . . 50.0 113.192 -165.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -141.73 151.05 42.58 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.964 1.306 . . . . 50.0 112.513 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.9 p -136.25 9.28 3.21 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.626 1.171 . . . . 75.0 113.173 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -129.55 125.41 36.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.976 1.311 . . . . 75.0 108.425 163.293 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.5 p -62.7 115.16 4.06 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.118 1.155 . . . . 75.0 114.118 -164.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.3 p -72.03 -25.57 61.86 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.978 1.103 . . . . 75.0 113.978 169.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -125.66 141.75 51.86 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.574 1.15 . . . . 50.0 110.069 -176.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.9 m -146.03 161.79 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 126.213 1.805 . . . . 50.0 111.564 -175.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.5 mt -143.38 130.14 17.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.325 -1.361 . . . . 50.0 107.325 176.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -96.72 147.62 23.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.416 0.686 . . . . 75.0 109.343 176.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.77 -174.17 25.28 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 121.79 -0.569 . . . . 50.0 114.512 -171.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -67.55 122.97 10.23 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.003 2.468 . . . . 50.0 111.623 -175.04 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.28 -26.59 0.42 Allowed Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.427 1.489 . . . . 50.0 114.478 174.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? 59.4 -19.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 128.8 2.84 . . . . 75.0 117.688 178.465 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -166.72 154.31 9.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.963 1.256 . . . . 0.0 110.653 177.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -77.83 -29.44 50.56 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.986 -0.446 . . . . 50.0 111.835 167.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 124.25 1.02 . . . . 50.0 111.942 176.194 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 N-CA-C 116.143 1.217 . . . . 50.0 116.143 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 . . . . . 0 N--CA 1.469 0.508 0 C-N-CA 124.861 1.264 . . . . 50.0 112.768 174.054 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 CA--C 1.544 0.721 0 CA-C-O 120.998 0.428 . . . . 75.0 111.648 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -134.38 2.32 3.25 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.214 1.405 . . . . 50.0 114.313 -174.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -138.37 -39.94 0.52 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.871 1.268 . . . . 50.0 112.81 -170.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.01 12.16 16.28 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.801 1.64 . . . . 75.0 112.223 177.111 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -62.04 157.77 18.07 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.866 2.066 . . . . 0.0 114.337 172.422 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.3 tp -102.69 127.44 49.81 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.155 1.782 . . . . 50.0 108.934 164.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -91.14 105.93 18.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.796 2.039 . . . . 75.0 112.102 172.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.472 0.667 0 C-N-CA 125.928 1.691 . . . . 50.0 114.582 -176.948 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -30.92 68.79 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.747 -0.66 . . . . 50.0 112.658 -174.772 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.52 -41.45 64.18 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 121.142 -0.974 . . . . 50.0 114.161 176.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -76.39 -37.94 56.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.777 0.831 . . . . 50.0 112.145 175.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.8 tp -68.95 -42.7 76.34 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.727 0.64 . . . . 50.0 112.727 179.182 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.15 -41.94 76.2 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.648 1.179 . . . . 50.0 112.067 172.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.02 -40.4 97.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.734 0.414 . . . . 50.0 111.32 175.308 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -66.15 -43.45 87.0 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.194 -0.942 . . . . 50.0 112.629 172.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.0 mt -69.46 -33.79 73.44 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.003 -1.061 . . . . 50.0 113.197 -178.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -67.29 -35.32 79.23 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.137 0.88 . . . . 75.0 111.124 169.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -64.21 -47.11 80.99 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.456 0.571 . . . . 50.0 111.654 169.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -57.36 -35.16 69.59 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.845 1.054 . . . . 75.0 113.845 174.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.92 -49.74 69.24 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.024 1.284 . . . . 50.0 112.61 174.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -67.8 -40.85 83.86 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.387 0.514 . . . . 50.0 112.387 -178.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -65.17 -41.43 94.65 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.781 0.66 . . . . 75.0 112.781 171.002 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.42 -12.23 39.24 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 116.27 1.268 . . . . 75.0 116.27 -160.29 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.5 p -118.76 154.39 32.87 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.948 1.374 . . . . 0.0 112.008 177.19 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -71.53 -30.52 66.01 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.233 1.013 . . . . 50.0 112.219 177.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -148.97 111.22 4.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.035 1.734 . . . . 50.0 112.073 167.13 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.3 p -71.32 -17.36 62.45 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.533 1.679 . . . . 50.0 115.533 175.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.35 -7.51 53.11 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -169.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -83.86 -17.28 41.42 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.646 1.178 . . . . 75.0 114.063 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.3 m-85 -80.18 154.75 27.78 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.589 0.756 . . . . 50.0 112.628 -174.549 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -122.61 -28.55 4.19 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.776 1.028 . . . . 75.0 113.776 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -157.88 171.28 20.57 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.687 1.595 . . . . 50.0 111.964 177.251 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -145.74 158.37 43.86 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.733 2.013 . . . . 50.0 111.348 175.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.7 p -142.95 138.68 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.104 1.362 . . . . 50.0 109.798 -178.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.1 mt -126.01 128.84 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.686 1.594 . . . . 50.0 108.335 -160.167 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -118.29 118.22 31.21 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.564 1.146 . . . . 50.0 109.617 178.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.6 p -107.97 176.52 5.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.878 0.871 . . . . 0.0 111.934 -175.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.27 172.62 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.092 -1.005 . . . . 50.0 111.379 160.033 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 53.11 31.82 11.99 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.114 1.366 . . . . 50.0 113.504 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 61.3 24.48 14.58 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.694 1.998 . . . . 50.0 113.327 174.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.14 143.13 44.19 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 121.376 -0.827 . . . . 50.0 113.147 175.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -143.77 128.83 18.6 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.797 2.439 . . . . 50.0 107.448 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -144.97 143.52 30.57 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.817 1.247 . . . . 50.0 110.195 -177.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.6 t -128.91 140.1 51.83 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.918 0.887 . . . . 0.0 111.613 -177.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.1 t -143.05 127.8 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.85 1.66 . . . . 50.0 110.404 -172.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -77.73 142.8 38.51 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.061 0.934 . . . . 50.0 111.713 170.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.2 mt -107.57 -11.65 15.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.453 1.901 . . . . 50.0 112.69 -178.604 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -66.15 -6.38 13.2 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.124 0.875 . . . . 50.0 113.036 167.246 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.5 p -146.52 154.19 48.39 Favored Pre-proline 0 CA--C 1.541 0.617 0 C-N-CA 127.545 2.338 . . . . 0.0 110.154 -174.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -66.53 155.55 69.68 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.761 2.974 . . . . 50.0 112.844 165.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.76 155.87 34.84 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.881 0.872 . . . . 75.0 111.929 168.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.17 161.75 29.38 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.285 1.434 . . . . 0.0 111.19 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.18 -40.46 61.53 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 116.11 1.892 . . . . 50.0 116.11 -163.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -71.28 -12.86 61.67 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.944 -1.097 . . . . 50.0 113.177 -178.355 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -106.23 -31.11 8.8 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.833 2.453 . . . . 50.0 111.096 174.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.24 -45.03 93.48 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.526 1.13 . . . . 50.0 111.438 172.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.3 4.33 10.93 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.266 1.426 . . . . 50.0 114.345 -174.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.32 117.06 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.244 1.418 . . . . 75.0 110.932 -176.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -67.53 124.92 24.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.493 1.117 . . . . 50.0 111.037 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.17 124.4 28.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.754 1.621 . . . . 50.0 111.313 179.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.18 -22.59 66.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.058 1.743 . . . . 50.0 114.87 179.038 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.17 -170.64 37.02 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.339 0.971 . . . . 50.0 115.521 175.497 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.67 152.47 22.42 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.346 1.858 . . . . 50.0 113.04 173.041 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 22.0 ttp -74.23 62.73 0.96 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.465 2.706 . . . . 50.0 114.073 -171.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -60.82 -40.0 91.1 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.698 -1.251 . . . . 50.0 114.026 -173.354 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -153.46 146.57 24.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.453 0.701 . . . . 75.0 112.1 -176.064 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 m -138.6 146.02 41.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.921 1.288 . . . . 0.0 110.372 167.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -123.78 145.05 49.32 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.57 1.948 . . . . 50.0 111.707 179.078 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -137.4 145.1 42.81 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.719 1.608 . . . . 50.0 112.613 -172.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -133.28 134.97 44.59 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.54 1.536 . . . . 50.0 110.593 -165.008 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -76.49 158.26 31.43 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.455 1.025 . . . . 50.0 111.822 176.865 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -46.72 112.93 0.57 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.468 1.507 . . . . 50.0 111.485 174.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.63 -8.37 61.82 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.307 1.432 . . . . 50.0 116.123 179.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -89.72 176.3 6.91 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.322 1.561 . . . . 50.0 112.839 -177.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.0 p -148.8 13.05 0.9 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.874 1.435 . . . . 75.0 114.874 171.043 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -131.42 138.37 49.05 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.324 -1.485 . . . . 75.0 108.132 164.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 p -63.82 160.63 16.97 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.974 1.101 . . . . 75.0 113.974 -169.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 t -130.98 -22.82 2.54 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.37 1.468 . . . . 50.0 112.633 174.36 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -124.68 144.0 50.45 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.338 1.055 . . . . 50.0 108.692 176.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 m -149.02 153.63 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 125.611 1.564 . . . . 50.0 111.519 -172.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -142.71 134.02 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.644 -0.873 . . . . 50.0 108.644 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -109.16 151.11 26.9 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.197 0.999 . . . . 75.0 109.363 -175.014 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.81 -167.86 21.0 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.383 -0.823 . . . . 50.0 114.682 -177.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.6 144.4 89.75 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 122.353 2.035 . . . . 50.0 110.583 -177.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.0 -26.58 1.01 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.685 2.088 . . . . 50.0 113.45 170.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 60.27 -22.55 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 129.971 3.309 . . . . 75.0 116.76 -174.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.1 t -165.64 152.03 9.73 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.714 1.606 . . . . 0.0 109.49 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -75.58 -27.37 58.53 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.834 -0.542 . . . . 50.0 112.39 165.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 CA--C 1.553 1.096 0 C-N-CA 126.605 1.962 . . . . 50.0 114.159 -166.813 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.496 0 CA-C-O 121.71 0.617 . . . . 50.0 114.162 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 121.944 0.878 . . . . 50.0 110.529 169.545 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 t0 . . . . . 0 N--CA 1.472 0.675 0 N-CA-C 108.742 -0.836 . . . . 75.0 108.742 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -136.99 -21.37 1.22 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.941 1.296 . . . . 50.0 112.464 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -80.57 -49.35 11.42 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 125.229 1.412 . . . . 50.0 111.965 -179.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.42 -13.6 61.1 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.013 1.116 . . . . 50.0 114.013 -176.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -45.39 147.8 0.75 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 -168.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 45.7 tp -93.93 129.05 40.52 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.009 -1.108 . . . . 50.0 108.009 164.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -99.39 102.89 14.62 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.959 2.103 . . . . 75.0 111.268 176.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 CA--C 1.552 1.033 0 C-N-CA 128.304 2.641 . . . . 50.0 113.643 177.98 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 121.673 0.749 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -34.48 70.4 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.266 0.627 . . . . 50.0 112.336 -176.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.89 -35.64 40.26 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-O 118.83 -0.983 . . . . 50.0 115.418 175.395 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -84.75 -31.12 24.16 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.863 1.331 . . . . 50.0 112.786 175.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.9 tp -70.62 -42.17 71.27 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.259 0.623 . . . . 50.0 111.929 176.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.42 -41.23 79.99 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.331 1.452 . . . . 50.0 112.293 176.163 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -60.88 -35.96 77.97 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.012 0.925 . . . . 50.0 111.496 175.573 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -50.18 29.67 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 123.077 0.551 . . . . 50.0 111.628 172.119 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.62 -37.57 86.83 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.285 1.217 . . . . 50.0 114.285 -176.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -67.97 -27.76 66.86 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.146 -0.971 . . . . 50.0 112.202 174.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -75.97 -38.42 57.52 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.211 0.819 . . . . 50.0 113.211 167.043 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -59.18 -36.88 76.11 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.388 -0.82 . . . . 75.0 112.108 175.341 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.1 mt -55.87 -39.47 71.56 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.026 1.121 . . . . 50.0 114.026 171.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -71.82 -45.98 59.67 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.466 1.03 . . . . 50.0 112.126 178.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -63.17 -23.46 67.45 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.177 1.391 . . . . 50.0 114.634 171.042 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -116.62 -13.68 7.89 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 115.71 1.044 . . . . 75.0 115.71 -160.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.4 p -130.08 164.14 25.03 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.999 1.4 . . . . 0.0 112.647 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -65.58 -43.38 89.91 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.999 -0.438 . . . . 50.0 111.105 167.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -155.13 105.79 2.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.946 1.298 . . . . 50.0 112.99 -171.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 t -61.9 -24.63 67.07 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.075 1.509 . . . . 75.0 115.075 176.196 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.11 -5.32 17.17 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -167.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -85.49 -19.34 31.37 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.799 -1.188 . . . . 50.0 113.562 174.043 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -84.08 146.4 27.94 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.014 0.825 . . . . 50.0 112.185 -174.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -124.27 -24.19 4.36 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.662 0.986 . . . . 75.0 113.662 -176.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -153.3 172.75 16.55 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.652 0.982 . . . . 50.0 113.652 167.202 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -145.43 161.02 40.69 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 127.118 2.167 . . . . 50.0 112.015 177.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.2 p -141.53 121.51 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 124.914 1.286 . . . . 50.0 111.449 179.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.69 133.65 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.3 1.44 . . . . 50.0 109.063 -178.081 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.12 122.14 42.33 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.846 1.258 . . . . 50.0 109.994 173.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.0 p -111.41 174.45 5.86 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.057 0.943 . . . . 0.0 112.789 -172.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -52.41 166.07 0.21 Allowed 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.252 -0.905 . . . . 50.0 110.614 160.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.81 36.29 26.12 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.518 1.127 . . . . 50.0 113.078 178.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt 60.87 20.21 10.46 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.824 2.049 . . . . 50.0 114.374 171.676 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.02 142.67 45.28 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 121.552 -0.717 . . . . 50.0 112.861 175.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -145.55 126.96 14.95 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.663 2.385 . . . . 50.0 107.284 -178.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -144.03 111.99 6.23 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.748 0.819 . . . . 50.0 111.477 -172.077 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 t -92.85 139.84 30.13 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.787 0.721 . . . . 0.0 111.482 175.381 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.2 t -145.88 134.26 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.152 1.781 . . . . 50.0 109.668 -177.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -85.82 148.12 25.98 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.82 1.295 . . . . 50.0 111.665 178.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.2 mt -109.54 -4.12 16.47 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.331 1.853 . . . . 50.0 113.16 -174.568 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -65.65 -28.5 69.14 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.365 0.666 . . . . 75.0 112.432 170.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.3 p -146.01 151.47 45.21 Favored Pre-proline 0 N--CA 1.472 0.637 0 C-N-CA 125.488 1.515 . . . . 0.0 109.988 -179.808 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.67 134.03 60.35 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.524 2.816 . . . . 50.0 112.491 168.21 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -63.67 153.47 36.03 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.893 1.812 . . . . 50.0 115.893 -164.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.96 156.28 31.73 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.404 1.481 . . . . 0.0 114.811 -177.002 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -56.9 -36.3 69.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.088 1.514 . . . . 50.0 115.088 -174.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -37.71 78.8 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.56 1.073 . . . . 50.0 110.819 176.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -73.98 -31.12 62.84 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.644 1.178 . . . . 50.0 111.913 176.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -59.71 -22.17 61.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.181 -0.95 . . . . 50.0 112.883 168.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -124.12 17.73 9.19 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.632 1.573 . . . . 50.0 112.925 -171.007 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.05 136.79 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-N 119.061 0.846 . . . . 50.0 109.078 169.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -86.63 150.76 23.98 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.621 0.724 . . . . 50.0 111.964 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.4 mt -94.73 122.55 37.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.437 1.495 . . . . 50.0 110.744 -173.147 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -60.79 -23.77 65.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.101 1.36 . . . . 50.0 113.846 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.51 -172.75 37.18 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.569 1.08 . . . . 50.0 113.667 175.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -67.74 155.62 38.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.127 1.371 . . . . 50.0 113.628 177.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.8 ttp -74.37 67.94 1.48 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 127.162 2.185 . . . . 50.0 114.296 -171.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.29 -41.63 80.14 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.675 -1.265 . . . . 50.0 113.947 178.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -157.89 157.98 34.2 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.848 1.055 . . . . 50.0 113.848 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.2 m -141.07 146.7 37.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.415 1.486 . . . . 0.0 110.542 169.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.55 146.03 49.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.255 1.822 . . . . 50.0 111.256 179.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -133.69 151.32 51.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.771 1.228 . . . . 50.0 112.901 -171.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -136.68 129.1 30.14 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.026 0.93 . . . . 50.0 110.974 -166.021 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.39 165.1 25.69 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.847 0.684 . . . . 50.0 112.847 179.056 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -60.26 54.48 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 129.067 2.947 . . . . 50.0 116.663 178.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 151.17 24.52 0.05 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.237 1.875 . . . . 50.0 113.564 -177.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -141.45 154.26 45.47 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.317 1.559 . . . . 50.0 111.821 -171.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.9 m -142.92 12.93 1.86 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.32 1.23 . . . . 50.0 114.32 -173.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -125.92 131.16 52.37 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 105.575 -2.009 . . . . 75.0 105.575 159.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.8 t -63.09 155.5 27.69 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.932 0.716 . . . . 50.0 112.932 -172.513 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.0 m -131.14 0.99 4.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.275 1.83 . . . . 50.0 112.732 168.207 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -143.76 132.79 22.87 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.917 1.287 . . . . 50.0 109.642 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.7 m -146.85 162.11 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 125.432 1.493 . . . . 50.0 111.734 -168.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 36.3 mt -143.88 130.44 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 126.053 1.741 . . . . 50.0 106.332 -172.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -111.45 153.36 26.24 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.502 0.592 . . . . 75.0 109.479 177.315 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.04 -167.48 18.23 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 114.154 0.422 . . . . 50.0 114.154 -176.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.79 136.35 25.23 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.953 2.435 . . . . 50.0 111.554 -176.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.27 -17.14 0.21 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 126.545 2.021 . . . . 50.0 114.684 174.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 63.95 -29.7 0.1 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.061 2.544 . . . . 75.0 116.362 -178.073 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -168.15 156.84 9.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.884 1.674 . . . . 0.0 109.778 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -76.55 -30.25 57.02 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.32 -0.863 . . . . 75.0 112.873 165.052 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 125.56 1.544 . . . . 50.0 112.455 -164.237 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.332 0 CA-C-O 120.029 -0.317 . . . . 75.0 113.088 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 122.451 1.119 . . . . 50.0 112.582 170.478 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 114.334 1.235 . . . . 50.0 114.334 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.25 21.66 1.89 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.231 1.012 . . . . 50.0 112.456 174.432 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -167.55 -18.13 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 117.466 2.395 . . . . 50.0 117.466 -164.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -105.67 -20.44 13.46 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.965 1.306 . . . . 75.0 113.037 -178.006 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.2 t -36.09 145.93 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 -174.518 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 61.3 tp -92.02 120.68 32.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.605 -1.257 . . . . 50.0 107.605 162.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -78.64 132.85 37.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.971 1.709 . . . . 75.0 110.007 163.251 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 CA--C 1.544 0.742 0 N-CA-C 116.664 2.098 . . . . 50.0 116.664 -164.502 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.7 p . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 121.093 0.473 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.73 -30.12 70.56 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.306 -0.871 . . . . 50.0 113.293 -177.724 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.89 -26.94 55.8 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 120.131 1.332 . . . . 50.0 114.704 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -99.2 -32.23 11.33 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.367 1.467 . . . . 75.0 113.041 176.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -71.96 -44.13 64.06 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.807 0.73 . . . . 50.0 112.588 174.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -62.07 -37.65 85.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.339 1.456 . . . . 50.0 111.69 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -56.91 -45.39 82.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.046 1.338 . . . . 50.0 111.176 170.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -69.61 -46.55 65.99 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.853 0.861 . . . . 75.0 112.172 176.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.6 mt -64.94 -32.3 73.95 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.558 1.143 . . . . 50.0 113.279 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -61.86 -40.26 94.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.676 0.79 . . . . 50.0 110.85 167.273 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.74 -35.43 77.11 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.878 -1.058 . . . . 50.0 113.333 172.482 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -55.44 -38.49 69.1 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 120.52 1.509 . . . . 75.0 113.706 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.74 -46.95 73.81 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 118.3 -0.857 . . . . 50.0 112.5 174.352 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.23 -49.47 77.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.649 1.113 . . . . 75.0 111.385 177.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -64.41 -10.12 22.81 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 127.949 2.5 . . . . 50.0 114.982 175.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -128.53 -41.04 0.28 Allowed Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.367 0.907 . . . . 75.0 115.367 -163.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.2 p -97.61 173.25 7.23 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.464 1.905 . . . . 0.0 112.638 -175.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -75.56 -34.46 60.71 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.931 0.892 . . . . 50.0 112.229 165.205 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -151.73 109.96 3.74 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.771 1.026 . . . . 50.0 113.771 175.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -62.18 -28.43 69.66 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.092 1.357 . . . . 75.0 113.437 171.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.49 -8.88 54.5 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -166.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -84.56 -11.49 55.95 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.81 1.186 . . . . 50.0 112.558 171.14 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.7 m-85 -84.27 154.16 23.14 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.345 1.058 . . . . 50.0 113.03 -179.288 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -140.39 -38.34 0.45 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.79 0.836 . . . . 50.0 112.615 -166.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -149.87 174.89 12.16 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.941 0.896 . . . . 50.0 112.962 175.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -155.34 161.25 41.11 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 125.978 1.711 . . . . 50.0 112.807 -176.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.27 135.96 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.55 1.54 . . . . 50.0 109.977 177.578 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.4 mt -123.38 131.52 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.729 1.612 . . . . 50.0 108.454 -164.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 mt -122.47 135.0 54.57 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.533 1.133 . . . . 50.0 110.045 -179.215 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.5 p -127.31 174.01 9.31 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -167.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -50.35 159.7 0.45 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.183 0.516 . . . . 50.0 109.927 160.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 61.99 35.54 16.04 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.802 1.038 . . . . 50.0 113.802 171.03 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt 62.29 18.55 10.3 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 128.423 2.689 . . . . 50.0 115.204 173.056 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.49 142.34 46.88 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.655 -0.653 . . . . 50.0 113.21 174.156 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -145.92 129.46 16.97 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 128.694 2.798 . . . . 50.0 106.279 174.638 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -142.35 128.45 19.7 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.101 0.961 . . . . 50.0 110.693 -177.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.5 t -101.92 143.19 32.1 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 118.979 0.809 . . . . 0.0 111.799 174.535 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.5 t -143.97 123.06 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.643 1.577 . . . . 50.0 110.82 -179.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -77.18 122.43 25.02 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.338 -0.851 . . . . 50.0 110.133 164.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.0 mt -79.77 -26.87 40.52 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.482 1.513 . . . . 50.0 112.461 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -74.01 18.76 0.13 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.863 1.665 . . . . 50.0 115.044 -169.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.8 p -145.04 157.01 54.77 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 127.07 2.148 . . . . 0.0 109.911 175.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.91 153.01 33.29 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.674 2.916 . . . . 50.0 113.592 167.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.5 tp -56.38 148.06 19.9 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.661 1.984 . . . . 50.0 113.275 178.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.64 140.24 46.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.566 1.146 . . . . 0.0 111.358 175.097 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -65.09 -4.99 5.49 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.568 1.692 . . . . 50.0 115.568 -178.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -58.45 -50.57 73.24 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.735 -1.228 . . . . 50.0 110.518 163.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -67.96 -32.26 72.56 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.285 1.434 . . . . 50.0 111.689 -179.07 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -61.29 -18.1 56.88 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.527 0.936 . . . . 50.0 113.527 176.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -125.91 -14.75 6.07 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.563 1.32 . . . . 50.0 114.563 -169.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.41 134.99 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 119.146 0.885 . . . . 50.0 111.118 174.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.21 125.04 35.34 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.545 0.738 . . . . 50.0 109.949 174.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.82 129.49 40.29 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.504 -0.747 . . . . 75.0 110.766 173.189 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.58 -27.26 48.27 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.312 1.045 . . . . 50.0 113.491 175.081 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -172.42 -176.23 41.02 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 126.116 1.817 . . . . 50.0 113.696 -178.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -69.02 153.55 43.6 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.207 1.403 . . . . 50.0 114.772 -179.243 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.5 ttp -69.8 65.97 0.23 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.113 2.565 . . . . 50.0 115.013 -175.088 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.18 -39.24 85.82 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.383 -1.448 . . . . 50.0 114.47 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -147.19 151.12 36.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.203 1.401 . . . . 75.0 111.971 -178.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.8 m -138.11 151.0 47.37 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.113 1.365 . . . . 0.0 110.044 161.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -130.97 145.2 51.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.821 1.648 . . . . 50.0 110.424 175.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -138.46 145.16 40.53 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.785 1.634 . . . . 50.0 112.302 -164.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -132.44 132.02 42.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.344 1.058 . . . . 50.0 110.269 -164.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 47.0 mttt -69.27 169.4 12.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.908 0.883 . . . . 75.0 112.386 173.23 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -59.04 43.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.213 3.005 . . . . 50.0 117.077 175.321 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.79 41.87 0.02 OUTLIER Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.286 -1.286 . . . . 50.0 114.416 -176.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -138.1 159.61 41.59 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.952 1.464 . . . . 50.0 114.952 -171.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.9 p -138.09 -1.43 1.96 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.081 2.552 . . . . 75.0 113.954 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -139.23 128.35 23.85 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.171 2.189 . . . . 75.0 108.169 166.061 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.5 p -58.59 157.05 9.68 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.586 1.698 . . . . 75.0 115.586 -166.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.0 t -120.65 -17.46 8.02 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.444 1.498 . . . . 50.0 113.682 176.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -127.1 153.52 45.9 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.409 1.083 . . . . 50.0 108.77 170.398 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -159.09 147.57 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 C-N-CA 125.323 1.449 . . . . 75.0 110.569 -171.505 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.3 mt -141.39 124.16 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.621 -0.881 . . . . 50.0 108.621 -167.151 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -84.5 153.62 23.2 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.251 1.02 . . . . 50.0 110.115 176.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.45 -173.28 31.96 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-O 119.625 -0.542 . . . . 50.0 113.886 174.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.02 140.1 34.05 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.106 2.537 . . . . 50.0 110.535 -177.343 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 150.16 -21.23 1.1 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 126.794 2.14 . . . . 50.0 113.929 176.129 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 59.91 -34.75 0.07 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 128.763 2.825 . . . . 75.0 118.161 175.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.2 t -160.12 146.67 15.87 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 120.871 1.669 . . . . 0.0 109.287 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -76.27 -18.82 58.8 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.662 -0.649 . . . . 75.0 112.552 172.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 126.355 1.862 . . . . 50.0 114.062 -161.953 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.593 0 N-CA-C 115.232 0.853 . . . . 50.0 115.232 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 . . . . . 0 N--CA 1.467 0.398 0 O-C-N 121.124 -1.221 . . . . 50.0 113.248 175.457 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 CA--C 1.547 0.832 0 CA-C-O 121.081 0.467 . . . . 75.0 111.354 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -136.76 -4.56 1.99 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.127 2.171 . . . . 50.0 113.451 -178.644 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -31.59 0.54 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.237 1.199 . . . . 50.0 114.237 -179.278 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.39 81.67 5.63 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.053 0.93 . . . . 50.0 109.257 162.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -138.77 154.54 48.52 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.437 1.095 . . . . 0.0 111.799 -177.094 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.36 113.59 27.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 105.378 -2.082 . . . . 50.0 105.378 172.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -86.62 134.49 33.62 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 125.366 1.466 . . . . 75.0 111.283 169.299 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 115.091 1.515 . . . . 50.0 115.091 -166.525 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 121.414 0.626 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.64 -25.92 68.37 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.946 1.091 . . . . 50.0 113.946 176.56 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.54 -34.62 43.18 Favored Glycine 0 N--CA 1.472 1.092 0 CA-C-N 120.378 1.445 . . . . 50.0 115.357 172.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -87.92 -43.81 11.51 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.033 0.917 . . . . 50.0 112.01 175.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.95 -49.38 58.48 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.821 1.045 . . . . 50.0 113.821 -178.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.03 -41.74 99.61 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.913 0.779 . . . . 50.0 110.381 -177.41 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -58.73 -37.15 75.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.965 0.906 . . . . 50.0 112.655 173.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 mtm105 -67.67 -56.17 10.38 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.174 -0.917 . . . . 75.0 111.203 169.555 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.52 -37.62 78.82 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.59 1.541 . . . . 50.0 113.351 -174.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.0 ttm-85 -64.91 -33.03 75.06 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.086 2.154 . . . . 50.0 112.359 175.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -75.88 -40.63 54.15 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.138 0.975 . . . . 50.0 113.221 164.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -59.15 -39.62 83.02 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 124.295 1.038 . . . . 75.0 112.774 -172.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -41.59 84.76 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.318 0.859 . . . . 50.0 113.318 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -70.71 -46.38 63.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.232 1.013 . . . . 50.0 112.335 177.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -69.83 -16.78 63.33 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.512 1.301 . . . . 75.0 114.512 173.497 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.03 -22.13 7.73 Favored Glycine 0 CA--C 1.535 1.329 0 CA-C-O 119.113 -0.826 . . . . 50.0 114.248 -168.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.8 p -116.94 167.45 11.12 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.941 1.371 . . . . 0.0 112.996 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -79.49 -28.63 41.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.276 1.03 . . . . 50.0 112.908 175.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -148.39 115.44 6.11 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.51 1.524 . . . . 50.0 111.239 166.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 t -82.65 -20.1 36.93 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.854 1.057 . . . . 50.0 113.854 178.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.87 -13.47 59.67 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.018 -1.676 . . . . 0.0 115.308 -175.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -75.02 -24.91 58.43 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.159 -0.963 . . . . 50.0 112.782 175.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -83.22 140.15 32.7 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.127 0.971 . . . . 50.0 111.323 -177.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -122.66 -22.07 5.48 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.023 0.929 . . . . 50.0 112.522 -175.177 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -148.96 169.25 21.01 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.412 0.894 . . . . 50.0 113.412 171.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -141.75 154.83 45.53 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 126.57 1.948 . . . . 50.0 111.274 178.36 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.5 p -138.71 135.42 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.201 1.401 . . . . 50.0 109.893 178.243 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.9 mt -120.22 128.55 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 125.294 1.438 . . . . 50.0 107.467 -168.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.2 mt -113.59 123.86 50.98 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.8 1.24 . . . . 75.0 109.362 177.153 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 p -116.64 167.35 11.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.371 0.668 . . . . 0.0 111.466 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -54.01 164.42 0.62 Allowed 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.708 -0.62 . . . . 50.0 111.925 163.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.29 34.2 18.69 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.132 0.79 . . . . 50.0 113.132 176.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 70.15 11.21 7.55 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.797 2.439 . . . . 50.0 114.985 172.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.95 137.1 43.71 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-N 119.295 0.952 . . . . 50.0 113.293 -179.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -144.31 110.25 5.37 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.975 2.11 . . . . 50.0 108.743 -179.318 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -127.33 117.36 22.08 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.25 -0.906 . . . . 50.0 109.304 -172.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -122.6 131.91 54.04 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.672 0.789 . . . . 0.0 112.921 -172.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.5 t -143.07 122.11 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.672 1.189 . . . . 50.0 110.841 -160.14 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -78.09 130.11 36.02 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 122.147 0.975 . . . . 50.0 110.453 168.351 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.5 mt -77.27 -0.36 25.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.191 1.797 . . . . 50.0 112.613 178.389 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -68.07 -10.29 52.77 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.009 1.724 . . . . 75.0 114.389 176.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.5 p -142.8 144.02 27.99 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 119.523 1.056 . . . . 0.0 111.355 -177.529 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.25 157.64 25.16 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.936 3.091 . . . . 50.0 114.314 171.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.95 155.28 13.65 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.445 1.498 . . . . 75.0 112.598 171.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.15 158.34 43.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.727 1.611 . . . . 0.0 112.142 -175.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -57.06 -33.35 67.17 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.059 1.503 . . . . 50.0 115.059 -165.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -66.58 -44.94 80.83 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 120.971 -1.08 . . . . 50.0 111.002 176.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -68.5 -22.95 64.5 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.339 1.456 . . . . 75.0 112.23 176.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -68.98 -24.7 64.27 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.576 0.954 . . . . 50.0 113.576 171.058 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -124.86 -6.95 7.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.303 1.223 . . . . 50.0 114.303 -167.164 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.15 139.6 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.49 1.116 . . . . 50.0 111.593 170.481 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.42 151.96 22.22 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.314 1.046 . . . . 50.0 111.584 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.3 mt -90.09 145.07 25.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.51 1.124 . . . . 50.0 112.412 -178.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.6 mt -70.13 -32.1 69.94 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.282 1.033 . . . . 50.0 113.716 174.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.93 -175.3 41.48 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 123.865 0.745 . . . . 50.0 114.045 -175.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -63.69 147.36 51.82 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.844 1.257 . . . . 50.0 113.372 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttt -67.03 65.42 0.06 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 129.107 2.963 . . . . 50.0 113.885 -176.419 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -55.3 -47.97 74.79 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.914 -1.116 . . . . 50.0 112.672 -175.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -158.57 160.09 36.23 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.302 0.853 . . . . 50.0 113.302 176.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.1 m -132.91 142.16 48.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.563 1.145 . . . . 0.0 109.409 167.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -125.51 149.98 47.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.283 1.833 . . . . 50.0 110.562 179.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -134.72 151.73 51.22 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.236 1.014 . . . . 50.0 112.506 -172.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -134.66 131.33 37.61 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.392 -0.817 . . . . 50.0 110.715 -168.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -75.09 163.39 27.63 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.488 0.715 . . . . 50.0 111.895 178.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . 0.254 53.6 pttt -65.95 64.34 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.507 1.923 . . . . 50.0 114.603 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.62 32.71 0.05 OUTLIER Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.489 1.995 . . . . 50.0 114.213 178.457 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -132.66 160.43 36.73 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.082 1.441 . . . . 50.0 112.822 -163.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 99.0 p -142.83 10.55 1.79 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.094 1.516 . . . . 75.0 115.094 174.028 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -141.66 129.86 22.21 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.921 -1.112 . . . . 75.0 108.828 163.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.4 t -62.41 154.27 28.77 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.418 0.895 . . . . 50.0 113.418 -172.268 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.7 m -131.43 -0.16 4.02 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.49 1.916 . . . . 50.0 113.799 172.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -139.23 137.48 35.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.308 1.443 . . . . 50.0 110.161 176.31 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.58 160.61 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 125.484 1.513 . . . . 50.0 112.837 -164.279 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.8 mt -144.09 121.3 5.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 106.195 -1.78 . . . . 50.0 106.195 -177.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -100.6 145.04 28.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.706 1.202 . . . . 75.0 110.267 -172.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.87 -174.26 27.34 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 114.764 0.666 . . . . 50.0 114.764 -175.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -64.11 138.24 60.9 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.821 2.347 . . . . 50.0 111.691 -175.126 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.05 149.43 5.46 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 127.511 2.481 . . . . 50.0 110.989 173.192 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -135.51 -10.94 2.14 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.954 1.702 . . . . 75.0 113.838 -170.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -157.96 114.75 2.89 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 122.616 1.198 . . . . 0.0 113.955 164.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -69.79 5.79 1.39 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.79 1.236 . . . . 50.0 113.036 168.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.473 0.725 0 C-N-CA 124.819 1.248 . . . . 50.0 114.019 -170.27 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.472 0 CA-C-O 119.368 -0.685 . . . . 75.0 113.826 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 54.2 p-80 . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 122.608 1.194 . . . . 50.0 111.623 160.964 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 120.694 0.283 . . . . 75.0 110.491 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -139.64 6.43 2.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.088 1.355 . . . . 50.0 113.726 -179.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -25.05 11.99 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.313 0.961 . . . . 50.0 112.524 163.547 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -101.17 93.7 5.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.753 1.621 . . . . 75.0 108.573 166.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.4 t -138.58 174.38 10.59 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.561 1.544 . . . . 0.0 110.926 179.255 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.7 tp -123.39 129.82 51.84 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.436 1.494 . . . . 50.0 107.974 161.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -98.14 90.91 5.03 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.825 2.85 . . . . 75.0 111.997 -175.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 CA--C 1.556 1.186 0 C-N-CA 128.442 2.697 . . . . 50.0 112.848 176.732 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.4 m -139.78 15.37 2.5 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -167.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.58 52.73 32.52 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.271 0.938 . . . . 50.0 113.299 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 mt -126.77 147.74 62.25 Favored Pre-proline 0 CA--C 1.542 0.642 0 C-N-CA 125.433 1.493 . . . . 50.0 111.244 -170.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -68.32 156.97 63.78 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 121.843 1.695 . . . . 75.0 110.188 163.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -132.77 -2.01 3.35 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.8 p -131.1 127.5 38.27 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 121.025 1.739 . . . . 0.0 111.383 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -42.69 82.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.103 0.961 . . . . 50.0 112.473 -173.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.75 -37.99 44.08 Favored Glycine 0 CA--C 1.534 1.231 0 N-CA-C 115.107 0.803 . . . . 50.0 115.107 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -69.17 -41.79 76.74 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.352 1.076 . . . . 50.0 112.313 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 tt -70.25 -40.2 74.55 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.276 1.03 . . . . 50.0 112.037 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -54.54 -46.23 73.57 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.429 1.492 . . . . 50.0 112.146 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.88 -40.76 96.53 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.479 0.311 . . . . 50.0 110.718 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -63.75 -44.1 94.51 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.976 -0.535 . . . . 75.0 111.832 174.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.4 mt -66.54 -41.02 89.36 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.57 1.322 . . . . 50.0 114.57 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -71.72 -26.16 62.37 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.036 -1.04 . . . . 75.0 112.703 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -64.98 -46.89 79.58 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.809 -0.615 . . . . 50.0 112.038 161.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -53.13 -31.92 44.81 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.668 1.587 . . . . 75.0 114.511 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.04 -52.47 59.24 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.047 1.294 . . . . 50.0 113.06 170.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -66.14 -40.98 91.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.904 0.774 . . . . 75.0 112.23 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -71.59 -17.49 62.29 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.774 2.029 . . . . 75.0 114.49 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.1 -6.78 1.63 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 116.982 1.553 . . . . 75.0 116.982 -162.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.6 p -100.59 170.43 8.38 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 119.447 1.623 . . . . 0.0 110.737 163.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -82.1 -31.72 30.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.596 1.159 . . . . 50.0 110.528 161.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -148.85 121.34 8.51 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.25 1.42 . . . . 50.0 112.884 173.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.3 t -90.3 -22.43 21.57 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.699 1.199 . . . . 50.0 113.628 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.52 -15.68 19.65 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -168.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -81.04 -17.86 48.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.28 1.832 . . . . 75.0 114.317 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 70.6 m-85 -80.51 156.97 26.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.106 0.963 . . . . 50.0 113.217 -172.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -136.24 -40.57 0.66 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.267 1.427 . . . . 50.0 112.307 -167.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' B' ' 22' ' ' LEU . 35.0 pttt -150.15 171.48 16.83 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.859 0.837 . . . . 75.0 113.197 174.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -141.02 154.28 45.92 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.952 1.701 . . . . 50.0 111.248 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.3 p -140.29 140.9 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.734 1.614 . . . . 50.0 109.358 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.4 mt -130.35 126.35 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.149 1.379 . . . . 50.0 108.027 -160.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.9 mt -117.42 127.06 53.66 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.308 1.043 . . . . 50.0 109.317 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.1 p -119.21 171.88 7.98 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.411 0.684 . . . . 0.0 112.019 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -52.09 164.53 0.28 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.736 -0.602 . . . . 50.0 110.462 160.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 59.62 30.8 20.44 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.658 1.183 . . . . 50.0 112.898 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 48.37 31.12 2.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.556 2.742 . . . . 50.0 115.171 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.33 141.78 47.39 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 121.141 -0.974 . . . . 50.0 112.668 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -140.44 129.5 23.48 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 127.022 2.129 . . . . 50.0 107.629 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -143.64 143.83 31.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.441 1.497 . . . . 50.0 109.165 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 t -144.08 135.56 25.84 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.002 0.819 . . . . 0.0 112.655 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.0 t -143.0 116.36 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.952 1.301 . . . . 50.0 110.569 -168.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -67.64 118.16 10.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.269 0.627 . . . . 50.0 109.921 162.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.7 mt -69.52 -20.13 63.71 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.985 1.714 . . . . 50.0 112.285 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -65.79 -19.29 65.83 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.422 1.489 . . . . 75.0 114.591 -177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.4 p -142.2 138.9 17.13 Favored Pre-proline 0 N--CA 1.479 0.995 0 CA-C-N 119.802 1.183 . . . . 0.0 111.846 -170.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.26 130.6 36.8 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.416 2.744 . . . . 50.0 114.095 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -76.83 136.13 38.92 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.748 -0.595 . . . . 50.0 111.578 170.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.4 167.06 22.43 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.11 -42.58 39.65 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.721 1.209 . . . . 50.0 114.18 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -68.78 -20.54 64.35 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.263 -0.898 . . . . 50.0 112.609 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -89.37 -35.38 16.1 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.158 1.383 . . . . 75.0 111.336 171.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.8 -26.77 66.02 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.403 -0.811 . . . . 50.0 112.524 170.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -113.82 7.41 17.05 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.248 1.419 . . . . 50.0 113.09 -173.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.74 145.94 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.795 -1.191 . . . . 50.0 110.686 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.21 134.35 36.11 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.189 0.811 . . . . 75.0 113.189 -167.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.4 mt -82.06 128.79 34.47 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.804 1.242 . . . . 50.0 111.876 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.48 -30.46 61.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.715 1.606 . . . . 50.0 114.491 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.03 -179.53 40.63 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-N 119.083 0.856 . . . . 50.0 114.357 -174.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -68.38 154.19 42.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.498 1.119 . . . . 50.0 113.602 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 35.8 ttp -73.33 62.93 0.72 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.939 2.496 . . . . 50.0 114.598 -170.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -57.34 -46.38 83.35 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.351 1.241 . . . . 50.0 114.351 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -147.45 150.27 34.29 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.056 0.943 . . . . 75.0 112.632 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.8 m -136.53 144.42 44.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.46 1.504 . . . . 0.0 109.836 166.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -129.44 147.31 51.24 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.403 1.881 . . . . 50.0 110.492 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -139.37 147.94 42.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.33 1.052 . . . . 50.0 112.754 -169.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -135.25 136.97 42.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.857 1.263 . . . . 50.0 110.828 -167.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -74.02 165.55 24.94 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.056 0.762 . . . . 50.0 113.056 173.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -54.89 67.56 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 129.725 3.21 . . . . 50.0 113.848 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.71 8.95 1.2 Allowed Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.925 1.726 . . . . 50.0 116.555 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -103.43 157.02 17.32 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 121.023 2.411 . . . . 50.0 114.5 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.1 m -137.92 24.41 2.82 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.548 1.539 . . . . 50.0 113.511 168.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -147.25 124.69 11.65 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.861 1.664 . . . . 75.0 108.131 160.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.2 p -62.33 156.78 21.42 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.009 1.115 . . . . 75.0 114.009 -167.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t -127.7 -5.13 5.81 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.571 0.952 . . . . 50.0 113.571 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -131.78 142.15 49.67 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.981 1.312 . . . . 50.0 109.117 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -152.43 154.68 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 126.161 1.784 . . . . 50.0 111.144 -169.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 12.6 mt -147.14 130.45 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.349 -1.352 . . . . 50.0 107.349 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -104.22 167.57 9.67 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.177 -0.675 . . . . 75.0 109.177 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.56 -172.78 35.78 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 121.543 -0.723 . . . . 50.0 114.174 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.02 133.53 29.25 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.488 2.125 . . . . 50.0 110.589 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 157.24 -25.07 0.47 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.214 1.864 . . . . 50.0 113.823 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.9 tttt 58.4 -24.65 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 129.121 2.968 . . . . 75.0 117.669 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.4 t -164.83 161.96 20.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.37 1.868 . . . . 0.0 109.118 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -78.97 -23.77 44.28 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.305 -0.872 . . . . 75.0 112.701 167.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -75.84 108.34 8.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.506 1.122 . . . . 50.0 112.603 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -14.27 95.05 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 127.685 2.394 . . . . 75.0 117.305 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.85 86.15 0.09 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.154 1.782 . . . . 0.0 112.74 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 124.934 1.294 . . . . 50.0 112.283 -168.732 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -154.21 130.19 10.23 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.711 2.404 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -157.94 146.59 14.38 Favored Pre-proline 0 N--CA 1.478 0.951 0 O-C-N 121.524 -0.735 . . . . 0.0 112.383 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -51.63 143.9 35.36 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.564 2.843 . . . . 75.0 111.503 154.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . 0.27 21.0 m-20 47.44 -144.46 0.33 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.626 1.97 . . . . 75.0 113.886 165.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.61 138.5 1.41 Allowed Glycine 0 CA--C 1.534 1.273 0 CA-C-N 108.74 -3.845 . . . . 75.0 117.139 160.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -154.71 154.36 32.75 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 123.023 1.392 . . . . 50.0 113.638 160.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -140.66 143.42 35.12 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 120.669 -1.269 . . . . 75.0 111.769 -171.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -129.58 19.42 5.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.186 0.994 . . . . 50.0 113.559 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -34.31 2.46 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.738 -1.226 . . . . 50.0 114.229 166.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.18 -10.83 60.31 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.195 0.998 . . . . 75.0 113.013 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -40.28 154.24 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 128.274 2.63 . . . . 0.0 116.999 -172.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 51.6 tp -101.7 132.87 47.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.584 1.183 . . . . 50.0 108.355 161.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -108.73 82.12 1.56 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 131.597 3.959 . . . . 75.0 111.679 -168.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.414 ' CD2' ' HE3' ' A' ' 61' ' ' LYS . 6.1 mp -63.45 16.69 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 127.942 2.497 . . . . 50.0 115.766 -176.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -137.1 -5.58 1.87 Allowed 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 116.288 1.958 . . . . 75.0 116.288 -166.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 9.5 t -157.73 148.44 16.16 Favored Pre-proline 0 N--CA 1.48 1.041 0 CA-C-N 119.794 1.179 . . . . 0.0 112.334 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -89.6 169.35 4.74 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 124.795 3.663 . . . . 75.0 113.151 169.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . 0.266 8.1 p 51.95 128.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 130.966 3.706 . . . . 50.0 117.895 170.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -122.83 -21.84 5.46 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.624 1.57 . . . . 50.0 113.487 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.85 148.54 31.3 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 122.289 1.043 . . . . 50.0 111.486 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 120.444 -1.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -140.37 -14.95 0.98 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 172.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.93 -174.0 28.53 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 119.418 1.008 . . . . 50.0 115.585 168.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -120.12 164.82 20.36 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 126.585 1.954 . . . . 50.0 111.503 -172.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -49.17 156.74 2.22 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 124.497 3.464 . . . . 75.0 116.809 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t -148.66 14.07 0.94 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.9 1.68 . . . . 0.0 113.83 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.1 p -97.39 144.43 27.15 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.944 -1.098 . . . . 0.0 110.97 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.6 tp -66.85 -32.76 74.25 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.457 0.703 . . . . 75.0 112.528 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.95 -42.59 94.9 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 120.018 1.281 . . . . 50.0 114.397 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.98 -35.56 80.9 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.624 -0.927 . . . . 75.0 112.195 174.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tt -70.12 -41.06 74.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.424 1.089 . . . . 50.0 112.325 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.88 -41.93 88.27 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.272 1.429 . . . . 50.0 112.123 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -61.02 -41.92 97.46 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.886 -0.508 . . . . 50.0 110.483 172.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -64.34 -46.02 85.3 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 121.79 -0.569 . . . . 50.0 111.526 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.36 -36.3 83.59 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.589 1.086 . . . . 50.0 113.136 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -66.12 -31.57 72.5 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.371 0.669 . . . . 75.0 111.614 171.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -67.34 -48.95 66.01 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.303 -0.856 . . . . 50.0 111.423 166.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -54.33 -34.38 60.9 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.01 1.115 . . . . 75.0 114.01 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.09 -49.87 68.34 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.194 -0.941 . . . . 50.0 113.321 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -69.1 -43.33 74.71 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.301 0.501 . . . . 50.0 111.578 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -60.42 -28.34 68.19 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.481 1.912 . . . . 50.0 113.779 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.69 -14.15 4.39 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 117.682 1.833 . . . . 75.0 117.682 -160.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.1 p -119.13 160.48 22.01 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 118.746 1.273 . . . . 0.0 111.107 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.56 -40.02 77.04 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.072 0.549 . . . . 50.0 112.192 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -153.08 90.2 1.43 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.093 1.757 . . . . 50.0 110.998 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.3 p -60.0 -19.55 53.01 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.414 1.635 . . . . 50.0 115.414 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -22.33 64.51 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 -175.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -74.29 -23.47 59.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.243 1.017 . . . . 75.0 112.898 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -76.08 146.33 39.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.305 1.042 . . . . 50.0 111.055 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -128.34 -23.67 3.2 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.665 0.987 . . . . 75.0 113.665 -174.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -152.19 172.31 16.58 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.061 1.344 . . . . 50.0 112.554 168.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -138.92 157.44 46.03 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 126.71 2.004 . . . . 50.0 110.436 175.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.5 t -135.8 138.22 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.548 1.139 . . . . 75.0 108.827 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.9 mt -126.8 134.44 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.22 1.408 . . . . 50.0 108.162 -163.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.9 mt -122.28 134.86 54.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.455 1.502 . . . . 75.0 109.65 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.9 p -128.54 173.86 9.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.501 0.72 . . . . 0.0 112.51 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -54.04 169.9 0.15 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.71 0.767 . . . . 50.0 111.1 160.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 52.93 32.19 12.18 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.214 1.406 . . . . 50.0 113.069 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt 49.98 32.64 5.85 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.79 2.836 . . . . 50.0 115.466 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.21 147.49 49.14 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.88 -0.513 . . . . 50.0 113.168 170.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -151.03 127.88 10.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.901 2.08 . . . . 50.0 109.156 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -143.17 121.82 12.55 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.552 0.741 . . . . 50.0 111.015 -173.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.9 t -94.75 136.62 34.85 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.018 0.826 . . . . 0.0 110.866 167.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.9 t -142.9 127.55 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.536 1.534 . . . . 50.0 109.851 -175.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -84.63 144.27 28.7 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.558 -0.714 . . . . 50.0 112.153 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.1 mt -107.72 -18.47 13.82 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.977 1.473 . . . . 50.0 114.977 -169.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -72.96 -0.35 13.47 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.524 1.057 . . . . 75.0 113.032 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.7 p -148.77 156.25 41.27 Favored Pre-proline 0 C--O 1.24 0.559 0 C-N-CA 126.015 1.726 . . . . 0.0 110.658 -164.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.11 148.92 83.29 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 122.805 2.337 . . . . 50.0 111.329 157.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -91.52 151.32 20.81 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.32 0.581 . . . . 50.0 111.602 170.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.67 148.31 49.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.562 0.745 . . . . 0.0 112.58 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -57.05 -34.45 68.26 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.28 1.215 . . . . 50.0 114.28 -174.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.21 -29.82 68.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.263 1.025 . . . . 50.0 112.046 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -90.15 -28.87 18.65 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.796 2.038 . . . . 50.0 111.203 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -61.8 -35.29 77.76 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.113 0.869 . . . . 50.0 111.53 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -105.16 2.04 28.88 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.873 1.434 . . . . 50.0 114.873 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.49 140.98 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.731 1.151 . . . . 50.0 112.187 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -79.22 116.7 19.64 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.257 1.423 . . . . 50.0 110.757 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.48 135.63 57.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.547 1.139 . . . . 50.0 112.255 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.1 -26.7 68.33 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.903 0.881 . . . . 50.0 113.072 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.51 -172.37 36.8 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.347 1.451 . . . . 50.0 113.474 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -69.76 153.01 43.95 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.88 2.072 . . . . 50.0 113.05 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 40.3 ttp -70.03 64.56 0.23 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.488 2.315 . . . . 50.0 115.107 -171.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.24 -49.43 33.3 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.144 1.164 . . . . 50.0 114.144 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -163.14 156.7 19.71 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.694 1.134 . . . . 50.0 112.196 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.6 m -138.35 151.03 47.16 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.076 1.35 . . . . 0.0 111.02 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -132.28 143.6 50.01 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.638 2.375 . . . . 50.0 110.201 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -135.88 141.19 44.57 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.91 0.884 . . . . 50.0 112.21 -170.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -132.11 131.58 42.47 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.462 1.105 . . . . 50.0 111.382 -163.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 166.63 19.91 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.488 0.922 . . . . 50.0 113.488 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -36.92 101.71 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.114 2.166 . . . . 50.0 114.085 170.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.8 4.0 79.65 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.602 1.096 . . . . 50.0 115.543 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -86.4 161.65 18.55 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.953 1.377 . . . . 50.0 112.165 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.9 m -139.83 25.66 2.33 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.025 1.73 . . . . 50.0 112.676 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -144.63 140.85 28.96 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.696 1.598 . . . . 75.0 108.369 163.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.3 p -70.78 155.25 41.01 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.853 1.057 . . . . 75.0 113.853 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 p -125.69 -8.83 6.76 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.908 1.283 . . . . 75.0 113.798 167.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -130.68 140.72 50.38 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.162 1.385 . . . . 50.0 108.758 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.77 154.95 8.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 125.861 1.664 . . . . 50.0 110.846 -171.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.6 mt -145.63 132.74 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 108.519 -0.919 . . . . 50.0 108.519 -173.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -102.74 138.92 39.0 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 124.331 1.052 . . . . 75.0 109.743 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.41 -178.74 24.67 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 114.131 0.412 . . . . 50.0 114.131 -174.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.71 131.33 27.26 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.732 2.288 . . . . 50.0 112.621 -173.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.35 -30.05 0.18 Allowed Glycine 0 CA--C 1.539 1.533 0 N-CA-C 116.086 1.194 . . . . 50.0 116.086 173.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? 69.23 -32.74 0.23 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 127.093 2.157 . . . . 75.0 115.575 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -164.33 161.33 21.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.081 1.352 . . . . 0.0 110.867 172.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -76.21 -33.31 59.25 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.795 -0.566 . . . . 50.0 111.974 164.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -85.95 52.73 2.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.454 1.502 . . . . 50.0 112.523 -170.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 31.1 p90 50.37 148.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 131.04 3.736 . . . . 75.0 117.941 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -149.03 17.76 0.97 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 116.772 2.138 . . . . 0.0 116.772 -167.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 C--O 1.252 1.193 0 N-CA-C 114.12 1.156 . . . . 50.0 114.12 179.888 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.9 t -138.44 11.57 2.76 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.414 1.086 . . . . 0.0 113.84 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.17 160.04 31.05 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 124.784 1.234 . . . . 0.0 112.327 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.97 160.54 0.47 Allowed 'Trans proline' 0 CA--C 1.543 0.929 1 C-N-CA 125.529 4.153 . . . . 75.0 116.784 171.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.3 104.12 10.63 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.083 -1.011 . . . . 75.0 109.582 167.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.94 176.72 4.4 Favored Glycine 0 CA--C 1.535 1.313 1 CA-C-N 107.145 -4.571 . . . . 50.0 113.893 170.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -155.4 149.0 25.18 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.097 -1.237 . . . . 50.0 111.94 173.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -161.25 171.21 18.79 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 120.614 -1.304 . . . . 75.0 112.335 -169.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -141.86 -26.12 0.67 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.844 2.058 . . . . 50.0 112.306 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -70.0 -25.37 63.57 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.17 0.896 . . . . 50.0 113.208 -171.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -114.65 8.14 16.18 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.513 1.925 . . . . 75.0 113.179 -174.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -55.28 150.34 11.36 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -172.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.3 tp -92.71 123.57 36.09 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.735 -1.209 . . . . 50.0 107.735 166.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -102.63 96.87 7.17 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.831 2.452 . . . . 75.0 111.637 -173.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -81.11 -1.81 45.85 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 128.464 2.706 . . . . 50.0 115.119 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.07 148.98 42.43 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 123.148 1.451 . . . . 50.0 113.616 -167.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 11.0 t -158.44 28.33 0.03 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 -170.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -70.76 153.45 64.33 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.858 2.372 . . . . 75.0 113.782 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.8 p -159.34 10.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 115.513 1.671 . . . . 50.0 115.513 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 55.27 -21.16 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 128.35 2.66 . . . . 50.0 117.94 -171.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -152.5 81.65 1.24 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.168 1.787 . . . . 50.0 111.116 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 120.885 -1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -155.92 -45.71 0.08 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.477 1.111 . . . . 0.0 111.732 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.44 -176.63 31.12 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 123.894 0.759 . . . . 50.0 113.961 -177.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.68 146.81 54.62 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.613 1.165 . . . . 50.0 110.877 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -60.26 166.94 8.4 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 122.435 2.09 . . . . 50.0 111.155 158.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t -144.13 1.18 1.09 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 p -136.9 132.44 34.51 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.17 -33.28 70.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.059 0.943 . . . . 50.0 113.039 -177.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.71 -44.09 79.95 Favored Glycine 0 CA--C 1.536 1.351 0 O-C-N 120.966 -1.084 . . . . 50.0 114.06 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -65.92 -37.42 86.01 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.353 1.076 . . . . 75.0 112.667 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.4 tp -66.72 -44.12 82.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.491 -0.766 . . . . 50.0 112.397 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -55.41 -43.46 75.31 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.161 1.346 . . . . 50.0 111.974 173.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.0 -22.76 65.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.572 1.549 . . . . 50.0 112.449 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -86.05 -48.07 8.99 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 120.752 -1.217 . . . . 75.0 112.796 165.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.15 -34.33 77.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.638 1.563 . . . . 50.0 113.629 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -64.17 -34.15 77.41 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.496 0.589 . . . . 50.0 111.447 169.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -71.33 -39.39 71.39 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 118.242 -0.885 . . . . 50.0 112.785 169.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -60.44 -24.7 65.42 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.369 1.44 . . . . 75.0 114.507 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.85 -51.45 22.34 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.797 1.18 . . . . 50.0 113.716 164.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -68.68 -40.7 79.96 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.297 0.953 . . . . 50.0 112.313 -174.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -75.99 -10.61 59.56 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.301 1.84 . . . . 75.0 113.742 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.16 -17.58 2.44 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 117.361 1.704 . . . . 75.0 117.361 -170.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.4 p -112.4 159.93 18.23 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.116 1.958 . . . . 0.0 112.563 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -67.67 -34.18 76.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.704 1.602 . . . . 50.0 112.576 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -163.34 97.29 0.89 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.844 2.458 . . . . 50.0 111.155 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 t -59.64 -23.87 63.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.237 1.415 . . . . 50.0 114.781 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -5.77 2.95 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -92.58 -6.12 50.19 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.767 -1.208 . . . . 75.0 113.403 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -88.05 153.44 21.27 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.987 1.267 . . . . 50.0 113.031 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -134.94 -40.66 0.76 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.079 1.351 . . . . 50.0 112.465 -165.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -147.15 171.7 14.94 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.252 0.834 . . . . 50.0 113.252 169.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -135.62 159.72 40.75 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.201 1.4 . . . . 50.0 112.076 172.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.0 t -138.99 135.09 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 126.284 1.834 . . . . 75.0 108.562 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mt -127.9 133.11 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.674 1.59 . . . . 50.0 108.395 -165.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -117.78 113.14 21.37 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.631 1.172 . . . . 50.0 107.925 173.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.1 p -98.68 171.23 8.24 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.333 0.587 . . . . 0.0 111.476 -177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -58.47 165.27 2.19 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.451 -0.78 . . . . 50.0 110.67 160.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 54.11 39.85 31.07 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.212 1.405 . . . . 50.0 113.858 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt 56.83 25.93 10.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.088 2.155 . . . . 50.0 114.999 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.1 143.72 40.01 Favored Glycine 0 CA--C 1.533 1.178 0 O-C-N 121.182 -0.949 . . . . 50.0 112.789 169.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -138.79 132.52 30.75 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 127.081 2.152 . . . . 50.0 107.015 170.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -145.46 144.38 30.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.814 0.846 . . . . 50.0 111.058 -177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.8 t -135.02 143.6 46.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.361 1.065 . . . . 0.0 112.393 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.85 128.98 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.836 1.655 . . . . 50.0 110.135 -172.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -86.44 92.72 8.93 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.357 1.463 . . . . 50.0 112.247 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.02 -13.34 2.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.777 2.431 . . . . 50.0 115.215 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -59.55 -16.09 22.68 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.574 0.953 . . . . 75.0 113.574 163.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.6 p -146.01 148.64 36.23 Favored Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 125.445 1.498 . . . . 0.0 110.885 -167.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -71.36 122.26 8.5 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 123.934 3.09 . . . . 75.0 111.024 171.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -63.81 136.56 57.52 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.581 -0.699 . . . . 50.0 111.82 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.15 158.82 15.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.894 0.878 . . . . 0.0 112.976 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -59.14 -33.27 70.69 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.589 1.329 . . . . 50.0 114.589 -170.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -71.86 -33.19 68.19 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.723 -1.236 . . . . 50.0 112.136 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.75 -28.23 60.67 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.327 1.051 . . . . 50.0 111.964 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -61.16 -26.32 67.62 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.842 -1.162 . . . . 50.0 112.3 166.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -118.02 20.38 13.28 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.378 1.471 . . . . 50.0 112.621 -171.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.35 142.3 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 CA-C-N 119.452 1.023 . . . . 50.0 111.225 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.59 133.16 48.09 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.982 1.713 . . . . 50.0 114.02 -168.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.3 122.02 34.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.226 1.411 . . . . 50.0 112.527 172.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.11 -28.85 63.55 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.296 1.438 . . . . 50.0 114.826 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -175.05 -177.98 44.55 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-N 119.78 1.173 . . . . 50.0 114.551 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 147.06 12.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.853 2.061 . . . . 50.0 113.711 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.4 ttp -66.15 51.5 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 129.116 2.967 . . . . 50.0 115.011 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -50.34 -47.62 55.82 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.996 1.318 . . . . 50.0 113.921 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.48 140.52 26.29 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.947 0.794 . . . . 75.0 112.273 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.8 m -136.65 145.08 44.41 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.908 0.883 . . . . 0.0 111.043 168.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -124.63 139.3 53.99 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 128.57 2.748 . . . . 75.0 109.834 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -131.81 139.83 48.99 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.291 1.436 . . . . 50.0 110.948 -172.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -129.87 126.47 38.06 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.72 1.208 . . . . 50.0 110.112 -163.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -67.79 164.77 18.83 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.551 0.945 . . . . 75.0 113.551 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -63.45 61.18 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.632 3.173 . . . . 50.0 112.022 168.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.93 40.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.943 0 C-N-CA 125.903 1.716 . . . . 50.0 113.569 -176.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -153.17 146.09 24.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.049 1.339 . . . . 50.0 111.761 -167.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.7 m -142.44 38.48 1.54 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.13 1.372 . . . . 50.0 111.367 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -152.71 119.49 5.72 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.204 2.202 . . . . 75.0 106.251 162.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.0 p -51.68 147.29 6.72 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.507 0.929 . . . . 75.0 113.507 -168.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.8 t -109.93 -15.26 14.11 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.276 0.63 . . . . 50.0 112.428 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -133.65 140.99 47.42 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 125.206 1.402 . . . . 50.0 109.635 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.44 154.93 7.58 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 C-N-CA 125.46 1.504 . . . . 75.0 111.861 -174.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.59 118.36 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.079 -1.082 . . . . 50.0 108.079 -170.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -90.27 109.99 21.06 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 106.734 -1.58 . . . . 50.0 106.734 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.49 -167.96 16.69 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.865 0.745 . . . . 50.0 113.491 -171.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -64.65 122.7 10.65 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.82 2.346 . . . . 75.0 109.499 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 132.48 159.78 9.39 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 127.469 2.461 . . . . 50.0 109.883 -171.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -137.83 -15.39 1.36 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.497 1.666 . . . . 75.0 115.497 -165.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.8 t -169.08 155.78 6.81 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.269 1.828 . . . . 0.0 108.051 -175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -74.98 -23.82 58.34 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.085 -1.009 . . . . 75.0 111.72 167.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.47 106.95 18.79 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.412 1.085 . . . . 50.0 113.172 -171.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 42.2 p90 37.43 58.22 1.3 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 117.015 2.228 . . . . 75.0 117.015 160.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.16 21.52 0.07 Allowed 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -169.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.25 1.117 0 C-N-CA 125.844 1.658 . . . . 75.0 110.105 168.492 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.9 t -132.72 11.46 4.38 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 127.51 2.324 . . . . 0.0 112.977 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.565 ' H ' ' CD ' ' B' ' 9' ' ' PRO . 3.8 t -147.71 -18.14 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.676 0 N-CA-C 117.863 2.542 . . . . 0.0 117.863 171.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.565 ' CD ' ' H ' ' B' ' 8' ' ' THR . 58.0 Cg_endo -80.94 81.85 2.62 Favored 'Trans proline' 0 C--N 1.355 0.871 0 CA-C-N 123.56 2.307 . . . . 75.0 112.369 -171.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -142.43 72.22 1.37 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.736 2.014 . . . . 75.0 106.674 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.16 173.33 0.38 Allowed Glycine 0 CA--C 1.537 1.448 1 CA-C-N 106.647 -4.797 . . . . 50.0 117.698 161.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -153.21 151.36 30.0 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.849 -1.383 . . . . 50.0 113.133 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.1 -179.51 4.98 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.221 1.563 . . . . 50.0 115.221 -164.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -136.21 -18.47 1.53 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.144 1.535 . . . . 50.0 115.144 169.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -147.34 -17.87 0.39 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.755 1.761 . . . . 50.0 115.755 175.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.53 -21.79 66.78 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.753 1.02 . . . . 50.0 113.753 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -37.05 155.72 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.287 2.635 . . . . 0.0 116.491 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 41.3 tp -98.33 117.49 32.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.017 -1.845 . . . . 50.0 106.017 160.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -77.83 134.83 37.91 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.665 0.745 . . . . 75.0 110.413 167.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -113.78 -9.76 13.09 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.662 2.385 . . . . 50.0 110.759 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.2 164.5 38.73 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 128.229 2.611 . . . . 75.0 108.291 169.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 6.6 t -50.59 137.46 23.82 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.435 1.894 . . . . 0.0 113.02 167.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -73.0 152.0 50.93 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.704 2.269 . . . . 75.0 112.114 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p 142.19 139.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 131.414 3.885 . . . . 50.0 110.384 172.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.54 -32.59 1.01 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.134 0.974 . . . . 50.0 112.454 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -144.73 110.66 5.42 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.864 1.266 . . . . 50.0 110.438 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 120.321 -1.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.3 m -152.27 144.61 24.01 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.005 1.322 . . . . 0.0 111.424 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.97 -39.36 0.08 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.709 1.147 . . . . 50.0 113.635 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.8 mt -120.89 151.07 54.28 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 125.06 1.344 . . . . 50.0 111.53 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -71.73 166.37 29.69 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.457 2.771 . . . . 50.0 113.357 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 t -136.33 -4.75 2.09 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.959 2.104 . . . . 0.0 113.074 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.0 p -129.9 156.31 44.61 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.348 1.059 . . . . 0.0 111.547 165.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.84 -34.41 69.68 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 118.247 -0.882 . . . . 50.0 112.897 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.98 -41.38 45.19 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 119.592 1.087 . . . . 50.0 114.637 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -87.09 -35.87 18.45 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.419 1.087 . . . . 75.0 113.068 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.94 -41.85 99.62 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.748 0.704 . . . . 50.0 111.922 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.1 -40.72 86.18 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.224 1.81 . . . . 50.0 113.254 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.8 -40.83 95.88 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 110.091 -0.337 . . . . 50.0 110.091 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -63.8 -47.89 79.07 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.377 -0.821 . . . . 50.0 111.212 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.41 -37.51 83.72 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.281 1.401 . . . . 50.0 114.221 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -66.19 -30.34 70.78 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.538 -0.726 . . . . 75.0 111.245 172.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -74.88 -34.98 62.31 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 117.847 -1.073 . . . . 50.0 112.998 169.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -58.49 -34.03 70.46 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.611 1.55 . . . . 75.0 113.127 171.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.56 -49.85 69.57 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.158 -0.964 . . . . 50.0 112.922 174.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -65.73 -43.45 88.99 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.546 0.612 . . . . 50.0 112.172 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -65.68 -19.16 65.8 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.526 1.13 . . . . 75.0 114.023 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -130.43 -9.44 2.94 Favored Glycine 0 CA--C 1.535 1.317 0 N-CA-C 117.584 1.794 . . . . 75.0 117.584 -161.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 p -128.11 151.8 48.76 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 120.339 2.07 . . . . 0.0 111.89 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -67.17 -30.71 70.75 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.666 0.617 . . . . 75.0 112.666 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -158.17 91.5 1.11 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.825 1.65 . . . . 50.0 112.328 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.6 p -54.75 -27.37 40.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.223 1.809 . . . . 50.0 115.118 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.6 -22.71 66.7 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -166.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -74.86 -18.99 60.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.676 1.19 . . . . 75.0 113.346 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -77.17 155.17 32.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.639 0.775 . . . . 50.0 112.327 -176.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -126.45 -48.05 1.56 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.15 1.38 . . . . 50.0 110.507 -166.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -151.53 178.02 9.73 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.906 1.283 . . . . 75.0 112.339 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -145.47 163.6 34.17 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 125.653 1.581 . . . . 50.0 111.904 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.5 p -145.18 137.14 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.231 1.412 . . . . 50.0 110.437 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.58 137.84 47.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 126.895 2.078 . . . . 50.0 108.817 -170.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 mt -121.97 128.69 51.77 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.584 1.554 . . . . 75.0 109.364 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 p -125.1 174.39 8.08 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -171.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -54.72 167.87 0.33 Allowed 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.588 -0.695 . . . . 50.0 110.064 160.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 56.24 33.84 22.9 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.298 1.039 . . . . 50.0 113.377 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 48.2 30.6 2.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 128.075 2.55 . . . . 50.0 115.315 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.44 138.97 45.35 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.312 -0.867 . . . . 50.0 112.82 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -138.31 126.07 22.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.66 2.384 . . . . 50.0 106.927 172.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -144.98 137.1 25.87 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.302 1.041 . . . . 50.0 110.115 -177.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.3 t -127.54 143.58 51.16 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.025 1.284 . . . . 0.0 112.498 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.7 t -144.16 144.86 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.274 1.829 . . . . 50.0 108.915 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -77.02 154.47 33.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.894 0.854 . . . . 50.0 113.111 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.6 mt -105.89 -18.61 14.0 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.824 1.649 . . . . 50.0 112.35 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -58.34 -27.66 64.37 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.372 0.669 . . . . 75.0 112.497 170.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.6 p -145.23 159.57 48.61 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 126.822 2.049 . . . . 0.0 109.946 -169.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.91 147.56 27.2 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 124.099 3.2 . . . . 75.0 112.779 171.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.28 164.01 23.75 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.831 1.419 . . . . 50.0 114.831 -171.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.76 143.49 55.84 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.448 1.099 . . . . 0.0 113.891 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -62.35 -22.93 66.49 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 120.89 -1.131 . . . . 50.0 113.961 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.94 -36.58 82.56 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 119.871 -1.768 . . . . 50.0 111.54 170.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -73.96 -13.87 60.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.697 1.199 . . . . 50.0 111.996 174.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -73.18 -13.83 61.24 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.239 1.2 . . . . 50.0 114.239 163.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -110.59 -19.18 12.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.963 1.305 . . . . 50.0 113.755 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -64.73 132.44 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.686 0.795 . . . . 50.0 112.029 -172.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -68.92 125.56 27.02 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.702 0.801 . . . . 50.0 110.999 172.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.5 mt -64.87 127.61 32.29 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.552 -0.718 . . . . 50.0 111.048 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.67 -33.19 69.84 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.663 0.986 . . . . 50.0 113.663 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.37 -174.73 39.28 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.498 1.046 . . . . 50.0 113.799 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -63.88 148.82 48.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.422 1.089 . . . . 50.0 112.79 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 37.9 ttp -71.42 63.7 0.39 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 129.198 2.999 . . . . 50.0 115.058 -170.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -56.06 -39.75 72.51 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.843 -1.161 . . . . 50.0 114.028 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -144.1 158.64 43.59 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.407 1.083 . . . . 75.0 112.415 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.0 m -141.72 149.11 40.09 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.417 1.487 . . . . 0.0 110.072 163.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -131.48 150.22 52.23 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.111 1.764 . . . . 50.0 111.545 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -139.47 144.29 37.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.546 1.538 . . . . 50.0 112.12 -169.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -132.54 141.23 48.65 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.105 1.362 . . . . 50.0 111.879 -166.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 160.72 19.44 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.011 1.115 . . . . 50.0 114.011 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -52.76 89.92 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.461 2.704 . . . . 50.0 113.769 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.74 -7.0 17.77 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 126.081 1.8 . . . . 50.0 115.266 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -104.28 162.29 13.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.178 1.791 . . . . 50.0 111.525 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.3 p -141.87 14.11 2.09 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.765 1.626 . . . . 75.0 114.314 -172.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -133.35 142.15 48.27 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.574 1.55 . . . . 75.0 107.434 165.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.7 p -64.2 162.37 14.68 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.261 1.029 . . . . 75.0 113.253 -170.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.2 t -132.89 -10.1 3.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.238 -1.346 . . . . 50.0 112.397 165.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -137.15 140.09 41.61 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.177 1.391 . . . . 50.0 109.125 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -156.02 153.37 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.691 1.596 . . . . 75.0 111.283 -169.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.1 mt -142.33 133.09 24.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.685 -0.857 . . . . 50.0 108.685 -167.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -95.59 142.89 27.38 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.132 0.973 . . . . 50.0 110.922 175.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.53 -169.81 14.57 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 123.27 0.462 . . . . 50.0 113.696 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -66.4 145.25 76.71 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.793 2.328 . . . . 50.0 109.945 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.32 -24.9 2.19 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.883 1.706 . . . . 50.0 113.57 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt 60.54 -18.39 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.872 2.869 . . . . 75.0 117.175 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -171.83 157.58 4.59 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.862 1.665 . . . . 0.0 110.1 -178.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -78.93 -20.35 49.53 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.325 -0.859 . . . . 75.0 112.419 165.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -71.96 68.42 0.67 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.714 2.006 . . . . 50.0 114.793 -170.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 55.12 29.5 12.68 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 118.287 2.699 . . . . 50.0 118.287 160.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 40.83 40.4 0.98 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.314 2.246 . . . . 0.0 115.757 173.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.252 1.185 0 C-N-CA 128.007 2.523 . . . . 50.0 110.009 -173.558 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.1 t -76.71 19.22 0.29 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 22.9 m -139.56 138.28 20.01 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 125.792 1.637 . . . . 0.0 109.567 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -56.19 159.98 11.61 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.495 2.13 . . . . 75.0 112.82 172.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.46 129.74 42.63 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.372 -0.83 . . . . 50.0 110.348 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.21 177.46 6.31 Favored Glycine 0 CA--C 1.533 1.16 1 CA-C-N 108.172 -4.104 . . . . 50.0 114.807 167.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -148.89 143.06 25.99 Favored 'General case' 0 CA--C 1.513 -0.447 0 O-C-N 121.219 -1.165 . . . . 50.0 111.787 171.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.17 159.44 23.29 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.069 1.347 . . . . 50.0 113.197 -174.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -142.01 31.24 1.59 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.107 1.763 . . . . 50.0 111.321 164.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -163.73 -27.2 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.164 1.385 . . . . 50.0 114.599 -167.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -95.84 -17.87 20.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.182 2.193 . . . . 50.0 112.052 -166.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -49.0 153.05 0.94 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 129.989 3.316 . . . . 0.0 118.767 -165.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 37.9 tp -99.61 134.41 42.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.107 1.363 . . . . 50.0 108.042 160.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -111.04 95.5 5.58 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 127.225 2.21 . . . . 75.0 111.052 -174.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mp -74.14 -31.59 62.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.484 1.514 . . . . 50.0 111.696 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 15.4 m120 10.76 91.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 130.528 3.531 . . . . 75.0 115.577 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -146.33 -2.69 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.158 0 N-CA-C 117.343 2.349 . . . . 0.0 117.343 -160.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -67.06 147.63 80.03 Favored 'Trans proline' 0 C--N 1.358 1.033 0 CA-C-N 123.965 2.452 . . . . 50.0 112.088 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 p -151.63 161.96 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.252 1.021 . . . . 50.0 111.089 -172.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -110.1 -28.33 8.73 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.084 0.954 . . . . 50.0 112.017 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -151.89 102.11 2.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.461 1.504 . . . . 50.0 109.312 168.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 120.252 -1.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.3 t -152.99 -73.68 0.14 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.289 1.036 . . . . 0.0 111.119 173.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.27 178.2 26.71 Favored Glycine 0 CA--C 1.538 1.524 0 CA-C-N 119.39 0.996 . . . . 50.0 115.291 176.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.6 mt -78.95 154.79 77.86 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.462 1.505 . . . . 50.0 111.137 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -65.31 146.19 85.4 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.568 2.178 . . . . 50.0 113.77 -172.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -145.92 57.03 1.21 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.41 1.884 . . . . 0.0 108.267 160.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -126.72 154.75 43.73 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.792 1.237 . . . . 0.0 111.982 -168.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.7 mt -63.67 -29.92 71.09 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.36 -0.828 . . . . 50.0 111.673 167.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.83 -36.64 6.73 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 120.153 1.342 . . . . 50.0 115.086 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -95.02 -45.92 7.04 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.418 1.109 . . . . 75.0 113.393 166.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.36 -43.91 76.41 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.037 1.495 . . . . 50.0 115.037 -172.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.21 -38.74 90.31 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 120.185 1.357 . . . . 50.0 110.867 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.27 -45.99 92.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.979 0.912 . . . . 50.0 111.163 169.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -68.07 -38.81 82.84 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.396 1.078 . . . . 75.0 113.126 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.79 -31.69 66.85 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.453 -1.405 . . . . 50.0 113.039 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -62.07 -34.0 75.46 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.559 0.618 . . . . 50.0 111.042 166.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.06 -45.59 73.45 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.464 -0.779 . . . . 50.0 111.576 170.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -54.13 -41.75 68.72 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.416 1.265 . . . . 75.0 114.416 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.0 -43.24 93.19 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.075 1.307 . . . . 50.0 113.337 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -69.09 -43.87 73.63 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.58 1.082 . . . . 50.0 112.007 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -61.54 -21.06 63.94 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.956 1.302 . . . . 75.0 113.954 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.16 -41.82 0.53 Allowed Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.796 1.078 . . . . 75.0 115.796 -160.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.5 p -92.85 167.88 11.54 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.884 1.342 . . . . 0.0 112.238 -177.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.25 -35.84 66.3 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.251 -0.906 . . . . 50.0 111.936 168.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -146.41 112.97 5.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.098 0.959 . . . . 50.0 112.466 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.9 t -67.82 -28.17 67.34 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.02 1.328 . . . . 50.0 113.258 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.88 -12.18 58.44 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.408 ' OE1' ' HE2' ' A' ' 100' ' ' LYS . 29.9 pt20 -81.73 -14.82 56.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.021 0.928 . . . . 50.0 113.446 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -90.1 132.98 35.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.522 1.129 . . . . 50.0 111.038 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -116.94 -25.71 7.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.002 0.921 . . . . 75.0 112.902 -170.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -150.47 173.29 14.23 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.475 1.11 . . . . 50.0 112.699 168.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -145.08 158.72 43.73 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 126.079 1.751 . . . . 50.0 111.216 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.6 t -137.01 134.82 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 125.072 1.349 . . . . 75.0 109.474 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.3 mt -120.75 130.86 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 125.876 1.671 . . . . 50.0 107.807 -166.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.1 mt -117.17 117.64 30.15 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.0 0.92 . . . . 50.0 108.633 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.9 p -107.81 175.62 5.42 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.558 0.743 . . . . 0.0 111.995 -171.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -53.95 172.98 0.07 Allowed 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.303 -0.873 . . . . 50.0 111.546 160.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 53.43 29.5 8.97 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.126 1.37 . . . . 50.0 113.702 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp 56.83 35.48 26.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.53 1.932 . . . . 50.0 113.626 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.07 150.55 30.68 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.107 0.86 . . . . 50.0 113.438 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.67 136.01 26.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.73 2.412 . . . . 50.0 107.595 176.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -143.1 137.5 29.2 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.134 0.973 . . . . 50.0 110.503 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -117.0 134.16 55.1 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.255 1.022 . . . . 0.0 109.997 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.92 113.63 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.019 0.928 . . . . 50.0 109.747 -160.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -80.84 118.11 22.07 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.47 0.708 . . . . 50.0 110.695 -176.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.5 mt -77.48 -27.77 52.08 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.837 1.255 . . . . 50.0 111.066 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -64.11 0.92 0.8 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.407 1.883 . . . . 50.0 114.125 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.1 p -134.31 138.31 29.98 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.794 1.638 . . . . 0.0 110.218 171.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.71 153.08 45.01 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.704 2.936 . . . . 50.0 113.066 170.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tt -64.73 130.81 44.93 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.599 1.16 . . . . 75.0 110.749 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.65 174.84 9.71 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.488 1.515 . . . . 0.0 112.13 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -47.78 -34.89 9.11 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.59 2.071 . . . . 50.0 116.59 -168.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -71.35 -27.79 63.6 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.987 0.812 . . . . 50.0 112.398 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -89.87 -29.0 18.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.465 1.506 . . . . 75.0 109.986 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -62.12 -27.88 69.24 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.434 1.094 . . . . 50.0 113.825 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -127.56 -1.92 6.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.564 1.32 . . . . 50.0 114.564 -165.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.93 141.33 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 118.9 0.773 . . . . 50.0 110.836 168.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -106.86 139.56 41.08 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.56 1.171 . . . . 50.0 111.893 172.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.27 149.48 33.55 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.958 2.103 . . . . 75.0 110.728 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.3 -24.91 64.91 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.449 1.099 . . . . 50.0 113.329 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.26 -175.03 36.24 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.987 0.803 . . . . 50.0 114.292 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -66.96 155.14 39.33 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.122 1.369 . . . . 50.0 113.305 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ttt -66.18 64.11 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 129.223 3.009 . . . . 50.0 114.372 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.402 ' CZ ' ' HE2' ' A' ' 95' ' ' LYS . 31.0 t80 -61.24 -45.41 94.66 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.41 -1.432 . . . . 50.0 113.993 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.402 ' HE2' ' CZ ' ' A' ' 94' ' ' TYR . 71.8 mmtt -142.83 155.86 44.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.93 1.292 . . . . 75.0 111.499 176.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 54.6 m -141.02 147.78 39.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.199 1.0 . . . . 0.0 110.085 166.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -129.48 138.41 51.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.421 2.289 . . . . 50.0 109.322 -175.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -130.94 140.95 50.23 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.823 0.849 . . . . 50.0 112.652 -170.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -126.7 128.95 47.49 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.927 1.291 . . . . 50.0 110.962 -163.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.408 ' HE2' ' OE1' ' A' ' 58' ' ' GLN . 23.1 mttt -77.88 164.25 25.32 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.718 0.636 . . . . 50.0 112.718 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -43.13 109.94 0.16 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.127 1.771 . . . . 50.0 113.056 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.73 25.58 73.62 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.189 0.9 . . . . 50.0 115.102 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -122.12 158.04 30.18 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.154 1.477 . . . . 50.0 111.454 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.3 p -134.16 3.7 3.42 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.314 1.598 . . . . 75.0 115.314 -165.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -126.3 134.76 51.05 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.217 1.407 . . . . 75.0 108.476 161.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 p -62.46 163.02 9.3 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.821 1.045 . . . . 75.0 113.821 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.5 t -132.76 -16.79 2.56 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.372 1.069 . . . . 50.0 113.746 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -125.31 140.06 53.15 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 107.674 -1.232 . . . . 50.0 107.674 169.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 14.8 m -141.96 154.01 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 C-N-CA 123.981 0.912 . . . . 50.0 111.273 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.8 mt -145.46 137.77 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.482 -0.781 . . . . 50.0 109.133 -167.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -113.73 133.37 55.39 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 125.634 1.574 . . . . 50.0 109.771 -169.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.47 -172.06 19.34 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 114.205 0.442 . . . . 50.0 114.205 -169.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.34 134.07 22.1 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.018 2.478 . . . . 50.0 111.774 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 154.63 -12.65 0.48 Allowed Glycine 0 CA--C 1.539 1.55 0 C-N-CA 126.987 2.232 . . . . 50.0 114.787 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt 63.45 -37.3 0.17 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.554 2.741 . . . . 75.0 116.795 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.1 t -170.52 153.54 4.28 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.744 1.617 . . . . 0.0 110.115 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -74.36 -26.35 60.07 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.252 -0.905 . . . . 75.0 112.896 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -69.38 20.63 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.593 1.957 . . . . 50.0 114.813 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.308 0.1 OUTLIER 58.24 153.63 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 129.265 3.026 . . . . 75.0 116.429 -163.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -149.33 73.77 1.21 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.592 1.957 . . . . 0.0 110.782 -167.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.8 t80 . . . . . 0 C--O 1.255 1.366 0 C-N-CA 124.403 1.081 . . . . 50.0 111.678 179.758 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.7 t -68.59 159.58 31.68 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.417 ' H ' ' HD2' ' B' ' 9' ' ' PRO . 4.8 t -151.09 -33.64 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 171.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' H ' ' B' ' 8' ' ' THR . 24.7 Cg_endo -86.25 57.66 4.02 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.777 2.985 . . . . 75.0 113.884 -169.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -136.2 88.96 2.43 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 126.737 2.015 . . . . 75.0 107.006 175.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.79 177.16 38.52 Favored Glycine 0 CA--C 1.533 1.2 1 CA-C-N 108.172 -4.104 . . . . 50.0 113.086 167.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -157.24 154.04 28.51 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.405 1.103 . . . . 50.0 112.535 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -139.78 159.31 42.46 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.153 1.381 . . . . 75.0 111.698 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.17 0.34 1.91 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.465 1.283 . . . . 50.0 114.465 166.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -117.19 -24.15 7.6 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 114.755 1.391 . . . . 50.0 114.755 -173.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -96.47 -14.3 22.47 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.662 1.185 . . . . 75.0 112.743 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -37.26 144.09 0.08 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 128.707 2.803 . . . . 0.0 116.145 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 65.5 tp -92.47 125.17 37.0 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.726 -1.213 . . . . 50.0 107.726 166.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.33 112.81 22.46 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.646 1.212 . . . . 75.0 109.819 164.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -73.09 -24.43 60.65 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.38 1.072 . . . . 50.0 111.039 171.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -146.62 150.2 35.0 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.331 2.252 . . . . 50.0 106.307 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.4 ' N ' ' CD ' ' B' ' 25' ' ' PRO . 8.9 t -150.22 26.75 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.311 0 N-CA-C 117.182 2.289 . . . . 0.0 117.182 -171.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 24' ' ' THR . 82.7 Cg_endo -72.4 167.41 27.05 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.232 2.621 . . . . 75.0 113.343 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 p -148.46 153.94 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.678 1.591 . . . . 50.0 111.3 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -137.91 154.96 49.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.559 1.543 . . . . 50.0 111.089 173.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -145.9 124.77 12.68 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.669 1.587 . . . . 50.0 111.211 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.3 t -55.65 -34.97 65.44 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -169.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.26 163.11 9.96 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.66 1.124 . . . . 50.0 113.985 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.7 mt -144.65 154.77 56.4 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 126.857 2.063 . . . . 50.0 109.621 174.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.54 137.82 28.48 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.919 1.746 . . . . 50.0 111.311 -178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.1 t -134.0 9.08 3.82 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.984 1.714 . . . . 0.0 111.746 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.8 p -130.78 140.04 50.27 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.592 1.557 . . . . 0.0 110.637 174.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.69 -38.94 67.62 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.521 1.128 . . . . 50.0 113.019 -171.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.78 -32.85 59.2 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.508 1.052 . . . . 50.0 115.515 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -77.16 -30.03 54.76 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.358 1.079 . . . . 50.0 112.365 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 tp -76.75 -44.92 31.14 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.44 1.096 . . . . 50.0 111.832 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.28 -44.49 65.01 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.067 1.347 . . . . 50.0 111.16 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.04 -38.26 67.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.489 0.715 . . . . 50.0 112.779 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -73.31 -48.61 32.99 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.219 -0.926 . . . . 75.0 111.035 173.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.3 -40.17 96.6 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.743 1.217 . . . . 50.0 113.748 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -67.6 -35.36 78.83 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.63 1.972 . . . . 50.0 111.558 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -70.72 -41.5 71.81 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.962 0.727 . . . . 50.0 112.962 166.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -34.32 59.86 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.922 1.289 . . . . 75.0 113.903 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.34 -45.77 75.39 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.011 0.745 . . . . 50.0 113.011 177.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -66.33 -48.56 69.89 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.013 0.525 . . . . 50.0 110.773 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -68.93 -20.36 64.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.121 2.168 . . . . 75.0 114.514 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.18 -13.57 6.36 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 117.066 1.586 . . . . 75.0 117.066 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.5 p -101.79 168.22 9.58 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.819 1.81 . . . . 0.0 113.357 175.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -74.77 -37.87 62.32 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.39 0.676 . . . . 50.0 111.825 169.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -149.54 97.15 2.59 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.521 1.928 . . . . 75.0 112.768 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -61.6 -23.66 66.17 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.617 1.567 . . . . 50.0 114.198 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.84 -20.05 33.35 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 -171.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -81.08 -17.58 49.56 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.265 1.426 . . . . 50.0 113.56 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -78.48 154.29 30.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.216 1.006 . . . . 50.0 112.671 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -139.55 -30.26 0.71 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.123 0.969 . . . . 50.0 113.034 -168.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -153.73 175.01 13.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.047 0.758 . . . . 50.0 113.047 171.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -143.8 154.72 43.7 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.713 1.605 . . . . 50.0 112.342 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.7 137.28 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.416 1.486 . . . . 75.0 109.395 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.4 mt -122.18 134.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.769 1.628 . . . . 50.0 108.48 -164.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.7 mt -121.83 132.84 54.8 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.255 1.422 . . . . 75.0 110.083 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.4 p -124.19 174.54 7.61 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 122.195 0.998 . . . . 0.0 113.202 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -54.63 165.56 0.57 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 121.113 -0.992 . . . . 50.0 110.422 159.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 56.23 30.32 16.41 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 112.876 0.695 . . . . 50.0 112.876 175.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 64.87 10.59 6.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.38 2.672 . . . . 75.0 116.963 172.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.05 147.48 50.77 Favored Glycine 0 CA--C 1.542 1.728 0 N-CA-C 115.562 0.985 . . . . 50.0 115.562 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -138.36 131.27 29.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.441 2.296 . . . . 50.0 109.057 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -141.35 143.98 34.3 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.488 1.115 . . . . 50.0 111.117 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 t -131.52 132.99 44.62 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.273 1.029 . . . . 0.0 112.343 -175.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.5 t -143.04 137.83 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.998 1.319 . . . . 50.0 110.614 -170.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -87.91 155.97 19.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 123.146 1.45 . . . . 50.0 112.764 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.7 mt -113.24 -1.74 14.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.065 1.746 . . . . 50.0 112.211 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -56.58 -35.07 67.79 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.636 0.774 . . . . 75.0 111.784 167.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.2 p -144.94 165.47 22.19 Favored Pre-proline 0 N--CA 1.469 0.513 0 C-N-CA 126.257 1.823 . . . . 0.0 109.253 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.77 134.99 64.09 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 122.502 2.135 . . . . 50.0 110.465 160.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -58.91 156.57 11.24 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.758 1.021 . . . . 50.0 113.758 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.53 144.86 50.49 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.093 0.957 . . . . 0.0 112.699 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -59.0 -30.17 67.79 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.925 -1.109 . . . . 50.0 112.017 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.46 -22.16 66.2 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.734 1.614 . . . . 50.0 112.827 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -97.14 -29.29 13.69 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.218 1.807 . . . . 50.0 111.15 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.81 -43.45 94.5 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.636 1.107 . . . . 50.0 111.681 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -80.65 3.26 22.62 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.794 1.405 . . . . 50.0 114.794 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -83.65 145.86 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 120.478 1.49 . . . . 50.0 111.623 -173.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.88 149.74 49.44 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.013 1.325 . . . . 50.0 113.842 -173.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.5 mt -105.38 116.82 32.6 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.256 1.422 . . . . 50.0 111.781 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.0 -25.23 65.1 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.268 1.827 . . . . 50.0 114.13 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -175.06 179.37 46.38 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.103 0.859 . . . . 50.0 114.421 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -65.57 156.14 33.59 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.368 1.467 . . . . 50.0 113.845 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.8 ttt -69.3 73.48 0.33 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.271 2.228 . . . . 50.0 113.778 -175.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.69 -56.43 19.3 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.886 -1.134 . . . . 50.0 112.718 174.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -151.59 161.66 42.29 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.477 1.035 . . . . 50.0 112.565 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.2 m -138.78 144.77 39.52 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.975 1.31 . . . . 0.0 109.696 171.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -125.7 138.5 53.88 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.795 2.038 . . . . 50.0 109.718 -172.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -129.54 143.35 50.79 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.852 0.861 . . . . 50.0 111.799 -171.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -128.96 127.73 42.29 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.318 1.047 . . . . 50.0 111.21 -163.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -67.85 161.24 26.73 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.175 0.512 . . . . 50.0 111.612 172.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -51.76 123.53 10.38 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.251 1.02 . . . . 50.0 112.129 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.83 -2.86 47.55 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.871 1.508 . . . . 50.0 116.871 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -85.63 165.48 16.98 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.733 1.766 . . . . 50.0 112.617 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 p -136.08 1.37 2.71 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.975 1.71 . . . . 75.0 114.773 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -127.53 132.93 49.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.798 1.239 . . . . 75.0 109.477 165.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 p -63.78 154.92 31.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.915 1.08 . . . . 75.0 113.915 -170.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 t -123.6 -16.73 6.66 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.597 0.962 . . . . 50.0 113.597 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -135.31 132.78 38.12 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 126.362 1.865 . . . . 50.0 107.426 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.0 m -138.94 162.42 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 123.169 1.461 . . . . 50.0 113.095 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.8 mt -149.05 141.72 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 114.39 -1.277 . . . . 50.0 108.9 -169.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -113.64 148.07 36.95 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.432 1.493 . . . . 75.0 110.453 -170.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.19 -172.44 18.15 Favored Glycine 0 CA--C 1.528 0.849 0 O-C-N 121.975 -0.453 . . . . 50.0 112.881 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.65 126.97 16.28 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.866 1.711 . . . . 50.0 110.428 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.88 -37.51 0.34 Allowed Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.702 1.62 . . . . 50.0 114.12 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 50.33 -15.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 130.012 3.325 . . . . 75.0 119.886 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.1 t -163.26 145.4 9.95 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.396 1.453 . . . . 0.0 110.467 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -76.92 -19.89 56.85 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.516 -0.74 . . . . 75.0 112.38 170.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -74.01 62.29 0.87 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.177 2.191 . . . . 50.0 114.906 -168.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 61.7 t80 47.01 38.71 6.64 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.898 2.079 . . . . 50.0 115.705 162.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 36.84 41.94 0.2 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.46 2.304 . . . . 0.0 117.185 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.8 t80 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 124.955 1.302 . . . . 50.0 111.58 -178.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.1 t -139.96 168.1 20.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.799 1.24 . . . . 0.0 112.044 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.84 155.36 32.23 Favored Pre-proline 0 N--CA 1.476 0.869 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -51.14 179.86 0.03 OUTLIER 'Trans proline' 0 CA--C 1.548 1.188 1 C-N-CA 126.309 4.673 . . . . 75.0 119.889 171.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.26 -37.54 87.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 127.069 2.148 . . . . 75.0 116.153 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.21 170.6 0.01 OUTLIER Glycine 0 CA--C 1.54 1.596 0 CA-C-N 108.447 -3.979 . . . . 50.0 118.429 162.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -152.29 164.82 36.64 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.155 -1.203 . . . . 50.0 112.327 170.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -131.57 157.43 43.64 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 114.794 -1.093 . . . . 75.0 113.613 -160.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -135.91 -17.7 1.64 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.949 1.092 . . . . 50.0 113.949 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.46 12.24 2.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.542 1.537 . . . . 50.0 113.803 -176.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -135.99 57.05 1.8 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.837 2.055 . . . . 75.0 109.481 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.5 t -119.33 157.2 28.6 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.005 1.322 . . . . 0.0 111.591 -173.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.1 tp -99.36 117.29 33.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 107.291 -1.374 . . . . 50.0 107.291 167.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 111.43 17.94 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.222 1.01 . . . . 75.0 109.818 160.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -68.71 -29.15 67.52 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.493 1.117 . . . . 50.0 110.256 165.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -154.82 157.71 38.33 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.968 2.907 . . . . 50.0 106.329 171.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -132.13 -4.7 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.255 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 -170.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.89 164.66 27.38 Favored 'Trans proline' 0 C--N 1.357 0.989 0 CA-C-N 123.603 2.322 . . . . 50.0 111.793 174.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.07 134.07 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.787 0.835 . . . . 50.0 111.342 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -141.49 4.25 1.75 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.49 1.516 . . . . 50.0 113.426 -175.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt 53.46 73.46 0.37 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.023 1.729 . . . . 50.0 112.533 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 120.11 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 m 31.01 48.66 0.07 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 129.293 3.037 . . . . 0.0 117.006 168.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.3 -28.66 0.98 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.288 0.946 . . . . 50.0 113.949 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.67 144.95 35.09 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 125.544 1.538 . . . . 50.0 110.532 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -50.47 138.86 38.63 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.666 2.911 . . . . 50.0 113.644 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 t -72.38 -14.43 61.71 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.0 p -96.0 140.55 30.57 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.978 1.717 . . . . 0.0 113.18 -174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.85 -36.3 72.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.026 1.33 . . . . 50.0 112.391 175.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.05 -48.85 57.68 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 123.703 0.668 . . . . 50.0 113.334 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.3 -33.06 69.37 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.527 -0.984 . . . . 75.0 113.138 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.45 -41.67 98.91 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.986 0.812 . . . . 50.0 111.757 171.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.44 -35.25 77.06 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.169 0.895 . . . . 50.0 113.142 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.03 -43.21 93.16 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.526 0.73 . . . . 50.0 111.213 172.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -62.8 -49.69 73.94 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 118.707 -0.663 . . . . 75.0 111.473 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.32 -32.78 74.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 120.162 1.347 . . . . 50.0 113.135 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -64.06 -37.39 87.27 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.239 0.927 . . . . 75.0 111.718 167.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -67.66 -47.51 69.31 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.471 -0.775 . . . . 50.0 112.201 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -53.08 -44.23 67.37 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.727 1.211 . . . . 75.0 111.169 171.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.62 -56.79 10.3 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 113.714 1.005 . . . . 50.0 113.714 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.23 -42.78 88.19 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.359 0.527 . . . . 50.0 111.509 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -74.96 -13.81 60.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.213 1.005 . . . . 50.0 113.464 176.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.53 -28.31 4.35 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 115.796 1.078 . . . . 50.0 115.796 -170.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.3 p -115.52 172.69 6.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 119.487 1.643 . . . . 0.0 113.317 -167.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.69 -46.06 80.47 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.392 0.516 . . . . 50.0 112.392 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.05 -38.87 1.22 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 116.08 1.881 . . . . 75.0 116.08 -174.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t 59.61 -34.51 0.06 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.253 2.221 . . . . 50.0 115.868 -163.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.18 -10.75 24.97 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -93.96 -10.26 34.31 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.672 0.99 . . . . 50.0 113.672 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -71.32 144.17 50.04 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.188 0.904 . . . . 50.0 112.116 172.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -122.74 -37.83 2.71 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.906 1.682 . . . . 50.0 111.025 -171.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -143.05 169.68 17.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.71 0.767 . . . . 50.0 112.52 165.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -141.2 162.32 35.77 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.198 1.799 . . . . 50.0 111.262 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.9 p -138.05 141.55 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.011 1.324 . . . . 50.0 110.197 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.73 121.56 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.826 1.65 . . . . 50.0 108.289 -165.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp -118.13 111.21 18.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.005 1.722 . . . . 75.0 109.708 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.9 p -108.79 174.28 5.94 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.457 1.103 . . . . 0.0 112.367 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.71 164.13 0.15 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.396 -0.815 . . . . 50.0 110.996 160.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 62.1 31.89 17.66 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.587 1.155 . . . . 50.0 113.992 168.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 62.96 21.89 13.14 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.026 2.131 . . . . 50.0 113.55 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.7 124.57 24.33 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.314 -0.714 . . . . 50.0 111.314 168.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -142.05 123.15 14.61 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.246 1.818 . . . . 50.0 106.97 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -139.88 140.53 36.5 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.316 1.047 . . . . 50.0 110.231 -172.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -117.53 143.29 46.23 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.792 0.837 . . . . 0.0 111.593 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.0 t -143.02 127.21 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.512 1.925 . . . . 50.0 109.731 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -93.72 123.68 37.21 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.505 0.722 . . . . 50.0 109.455 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.8 mt -82.09 -10.28 59.25 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.199 1.4 . . . . 50.0 113.701 -171.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -63.65 -13.74 45.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.29 1.436 . . . . 75.0 114.236 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.8 p -147.1 155.95 46.96 Favored Pre-proline 0 C--O 1.238 0.46 0 C-N-CA 125.801 1.641 . . . . 0.0 110.513 -167.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -64.1 154.83 68.35 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.884 3.056 . . . . 75.0 112.056 169.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -62.6 162.37 10.64 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.945 1.298 . . . . 50.0 114.44 172.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.56 162.41 13.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.736 1.215 . . . . 0.0 111.7 161.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -58.66 -22.61 57.37 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.294 1.038 . . . . 50.0 113.741 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.46 -43.57 93.17 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.07 -1.019 . . . . 75.0 111.003 178.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -66.57 -34.49 78.02 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.143 0.977 . . . . 75.0 111.864 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -63.59 -11.37 24.33 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.148 0.979 . . . . 50.0 113.485 173.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -128.79 0.7 5.41 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.94 1.696 . . . . 50.0 114.132 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -91.04 120.44 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 120.759 1.618 . . . . 50.0 110.676 -175.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -77.12 101.47 6.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.746 1.618 . . . . 50.0 112.198 -172.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.5 mt -47.36 120.4 3.19 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.886 1.675 . . . . 50.0 112.281 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.75 -29.99 63.12 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.683 1.193 . . . . 50.0 114.029 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -151.12 -179.45 26.86 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.538 1.066 . . . . 75.0 114.944 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.44 152.46 45.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.594 1.158 . . . . 50.0 111.983 167.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.3 ttp -74.79 70.19 1.88 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.307 1.843 . . . . 50.0 113.872 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -59.0 -47.11 86.39 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.404 0.89 . . . . 50.0 113.404 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -147.87 164.36 33.94 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 115.23 1.567 . . . . 50.0 115.23 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.8 m -146.38 145.36 30.25 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.157 1.383 . . . . 0.0 109.612 171.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -134.34 147.23 50.51 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.111 0.965 . . . . 50.0 111.291 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -137.13 144.16 42.87 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.383 1.073 . . . . 50.0 112.354 -166.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -133.57 120.94 21.38 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.054 1.341 . . . . 50.0 109.465 -164.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -69.4 165.9 19.82 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.732 -0.605 . . . . 75.0 111.664 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -43.28 101.92 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.488 1.515 . . . . 50.0 112.997 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.89 -11.23 68.05 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.939 1.536 . . . . 50.0 116.939 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -63.37 165.09 8.09 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.402 2.101 . . . . 50.0 112.865 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -136.52 7.71 3.06 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.621 1.568 . . . . 50.0 113.054 168.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -135.63 136.26 40.85 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.89 -1.131 . . . . 75.0 109.462 163.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.46 126.99 31.2 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.824 0.676 . . . . 75.0 112.824 -165.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.1 t -81.41 -26.92 35.02 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.12 1.368 . . . . 50.0 113.662 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -131.21 137.53 48.97 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.705 1.202 . . . . 50.0 109.658 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.0 m -141.32 163.51 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 122.536 1.16 . . . . 50.0 112.661 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 mt -144.33 144.93 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 125.268 1.427 . . . . 50.0 107.678 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -121.86 161.91 21.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.749 1.22 . . . . 75.0 111.99 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.94 -166.52 28.14 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 115.224 -0.898 . . . . 50.0 113.82 -173.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -72.44 133.13 20.22 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.019 2.479 . . . . 50.0 111.245 -173.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.21 -23.77 0.88 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 126.514 2.007 . . . . 50.0 113.957 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 76.8 tttt 59.93 -23.77 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 128.292 2.637 . . . . 75.0 117.234 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -161.78 158.24 25.41 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.815 1.646 . . . . 0.0 110.248 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -86.65 -2.29 58.39 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.623 0.601 . . . . 75.0 112.623 167.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -115.78 99.34 7.23 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.427 -1.421 . . . . 75.0 112.403 -163.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 47.86 27.79 1.21 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.799 2.148 . . . . 50.0 116.799 171.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 47.46 36.04 4.72 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.95 2.5 . . . . 0.0 116.152 -171.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 33.4 t80 . . . . . 0 C--O 1.253 1.243 0 N-CA-C 114.981 1.474 . . . . 50.0 114.981 -176.491 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -151.27 32.52 0.58 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.743 1.617 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -163.93 -44.37 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.881 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -177.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.97 81.01 2.01 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 CA-C-N 123.505 2.287 . . . . 75.0 116.046 -167.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -136.75 99.31 4.01 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 128.208 2.603 . . . . 50.0 105.521 160.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.37 179.75 6.78 Favored Glycine 0 N--CA 1.435 -1.38 1 CA-C-N 104.324 -5.853 . . . . 50.0 114.502 160.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -160.2 147.7 16.34 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 123.022 1.392 . . . . 50.0 114.359 176.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -124.78 157.49 35.65 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.696 1.599 . . . . 75.0 112.496 -161.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -138.43 12.61 2.77 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.069 1.507 . . . . 50.0 115.069 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -140.78 -25.53 0.75 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 125.873 1.669 . . . . 50.0 114.631 -171.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -127.98 22.57 6.21 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.839 2.456 . . . . 75.0 111.685 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -55.47 162.61 1.51 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.471 1.908 . . . . 0.0 112.741 161.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 25.0 tp -108.69 128.15 54.61 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 125.999 1.72 . . . . 50.0 107.224 164.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.38 140.63 29.84 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.059 0.944 . . . . 50.0 111.125 169.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 mp -120.99 13.08 11.3 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 128.222 2.609 . . . . 50.0 113.313 -174.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -61.69 -20.15 63.15 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 116.024 1.861 . . . . 50.0 116.024 -171.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 12.5 t -134.0 -26.96 0.02 OUTLIER Pre-proline 0 N--CA 1.487 1.392 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 -174.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -86.17 170.65 8.18 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.823 2.349 . . . . 50.0 112.199 171.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 8.7 p -131.18 -27.62 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 115.958 1.836 . . . . 50.0 115.958 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 38.76 15.75 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 130.672 3.589 . . . . 50.0 117.689 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -157.78 111.05 2.47 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.783 1.633 . . . . 50.0 111.471 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 O-C-N 120.995 -1.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 117.611 -1.185 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.1 p -149.12 -7.05 0.36 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 -165.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.56 -10.42 0.33 Allowed Glycine 0 CA--C 1.539 1.576 0 CA-C-N 120.494 1.497 . . . . 50.0 116.761 -175.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.7 mt -145.99 164.66 24.07 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 127.709 2.403 . . . . 50.0 109.831 175.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -58.27 162.21 12.38 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.25 2.633 . . . . 75.0 113.461 173.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.7 t -116.86 -14.7 10.7 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -171.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.6 p -83.75 131.61 34.9 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.751 -1.218 . . . . 0.0 111.109 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -38.76 63.31 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.539 0.94 . . . . 50.0 113.539 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.76 61.14 Favored Glycine 0 CA--C 1.538 1.524 0 CA-C-N 119.368 0.985 . . . . 50.0 114.984 172.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.91 -41.21 71.55 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.337 1.069 . . . . 50.0 112.267 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.5 tp -63.07 -42.22 99.62 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.615 0.643 . . . . 50.0 111.939 174.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.47 -39.38 83.48 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.74 1.154 . . . . 50.0 112.753 174.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.12 -46.91 86.94 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.363 0.528 . . . . 50.0 110.676 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -61.86 -41.57 98.01 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 123.829 0.852 . . . . 75.0 112.881 174.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.86 -35.23 76.66 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.252 1.387 . . . . 50.0 112.832 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -69.8 -31.31 69.14 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.642 -0.662 . . . . 75.0 111.254 170.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.64 -47.75 77.38 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.398 -0.811 . . . . 50.0 111.503 166.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -55.07 -32.81 62.23 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.77 1.228 . . . . 75.0 113.281 176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.75 -51.02 62.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.53 1.059 . . . . 50.0 113.521 171.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -67.77 -41.15 83.72 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.232 0.924 . . . . 50.0 112.185 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -64.1 -28.62 69.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.935 2.094 . . . . 50.0 113.65 174.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.92 -9.12 5.36 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 117.182 1.633 . . . . 75.0 117.182 -160.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.2 p -120.53 158.09 28.04 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.251 1.525 . . . . 0.0 112.178 175.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.42 -34.87 76.77 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.152 0.581 . . . . 50.0 111.354 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -147.58 113.93 5.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.016 1.327 . . . . 50.0 112.723 173.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.7 p -76.59 -17.21 59.32 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.595 1.331 . . . . 50.0 114.595 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.12 6.61 3.33 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -171.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -107.1 -11.32 15.66 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.005 1.722 . . . . 75.0 113.782 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -87.41 144.08 26.93 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.863 0.865 . . . . 50.0 111.753 -173.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -124.44 -28.71 3.59 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.161 0.984 . . . . 50.0 111.916 -170.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -152.19 171.22 18.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 122.157 0.98 . . . . 50.0 113.138 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -145.41 159.84 42.47 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 126.275 1.83 . . . . 50.0 111.515 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.4 p -146.88 137.77 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 125.3 1.44 . . . . 50.0 109.397 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.4 mt -126.19 129.46 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.735 1.614 . . . . 50.0 109.565 -160.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 mt -121.48 130.67 53.7 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.014 1.326 . . . . 50.0 110.836 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.5 p -121.5 174.92 6.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.694 1.198 . . . . 0.0 112.405 -172.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -54.27 167.42 0.31 Allowed 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.73 -0.607 . . . . 50.0 109.668 160.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 58.48 26.42 14.23 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.146 0.978 . . . . 50.0 112.455 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt 42.98 35.76 0.8 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 129.641 3.176 . . . . 50.0 115.947 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.83 143.26 48.59 Favored Glycine 0 CA--C 1.534 1.229 0 N-CA-C 112.313 -0.315 . . . . 50.0 112.313 169.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -141.63 130.81 23.41 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.113 2.165 . . . . 50.0 108.178 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -147.84 130.06 15.57 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.313 1.045 . . . . 50.0 110.827 -176.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 m -108.53 141.36 40.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.22 1.008 . . . . 0.0 110.47 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.3 t -142.94 124.02 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.89 1.276 . . . . 50.0 109.238 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -74.92 147.97 40.49 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.926 0.869 . . . . 50.0 112.06 171.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.07 -10.81 15.8 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.728 2.011 . . . . 50.0 113.083 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.3 -15.21 23.16 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.118 0.872 . . . . 75.0 113.003 165.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.9 p -147.19 159.66 41.8 Favored Pre-proline 0 C--O 1.239 0.548 0 C-N-CA 127.361 2.265 . . . . 0.0 109.832 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.87 156.94 40.74 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 123.36 2.706 . . . . 50.0 112.321 162.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -66.99 149.4 50.69 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.739 0.78 . . . . 50.0 112.92 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.23 150.94 33.0 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.361 1.064 . . . . 0.0 113.21 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -59.56 -22.93 62.43 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.076 -1.015 . . . . 50.0 113.358 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -61.13 -20.42 62.66 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.225 1.81 . . . . 50.0 113.405 171.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -118.2 -12.62 9.96 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.134 1.774 . . . . 50.0 113.773 -173.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -63.74 -22.67 67.02 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.667 -1.271 . . . . 50.0 114.093 -171.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -135.37 2.97 3.05 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.779 1.232 . . . . 75.0 113.352 -171.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.76 137.85 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.587 1.155 . . . . 50.0 111.442 -176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.64 126.99 33.41 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.83 0.824 . . . . 50.0 112.877 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.52 138.64 58.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.174 2.19 . . . . 50.0 112.853 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 mt -63.64 -21.95 66.64 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.243 1.572 . . . . 50.0 115.243 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -172.51 -175.54 40.59 Favored Glycine 0 CA--C 1.527 0.817 0 CA-C-N 119.559 1.072 . . . . 50.0 113.784 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -58.5 141.14 52.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.407 1.483 . . . . 50.0 110.555 172.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 58.5 ttp -63.52 130.82 45.98 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.346 -0.846 . . . . 50.0 110.616 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -111.88 -38.48 4.81 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.338 0.517 . . . . 50.0 112.07 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -158.44 153.53 25.39 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.19 0.811 . . . . 75.0 113.19 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.0 m -134.95 147.15 49.7 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.156 1.382 . . . . 0.0 109.102 171.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -127.96 137.59 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.812 1.645 . . . . 50.0 109.772 -174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -131.46 142.92 50.09 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.888 1.275 . . . . 50.0 111.918 -170.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -131.75 124.19 29.21 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 125.441 1.496 . . . . 50.0 108.503 -163.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 167.17 8.11 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.333 0.515 . . . . 50.0 111.282 170.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -36.93 112.08 0.18 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.653 1.581 . . . . 50.0 113.315 168.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.83 -1.12 85.07 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.562 1.553 . . . . 50.0 116.547 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -73.56 148.15 43.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.025 1.913 . . . . 50.0 113.38 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 72.4 p -126.2 3.62 7.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.26 1.424 . . . . 75.0 113.652 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -137.86 123.51 19.8 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.406 1.483 . . . . 75.0 107.745 165.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.3 p -54.71 158.75 2.47 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.811 1.412 . . . . 75.0 114.811 -169.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t -124.59 -17.52 5.95 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.327 1.451 . . . . 50.0 114.117 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -133.3 141.69 48.09 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.39 1.476 . . . . 50.0 107.745 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.1 m -146.24 153.39 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 124.989 1.316 . . . . 50.0 111.535 -171.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -145.6 126.55 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.968 -1.123 . . . . 50.0 107.968 -175.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -93.07 162.88 13.86 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.943 0.497 . . . . 75.0 110.3 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.16 167.25 28.97 Favored Glycine 0 CA--C 1.535 1.335 0 O-C-N 121.76 -0.588 . . . . 50.0 114.453 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.54 36.57 0.62 Allowed 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 124.538 3.492 . . . . 75.0 113.937 -166.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.95 -14.81 57.33 Favored Glycine 0 CA--C 1.533 1.217 0 O-C-N 121.07 -1.019 . . . . 50.0 113.583 173.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 53.71 -5.94 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 128.534 2.733 . . . . 50.0 117.743 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -175.1 160.47 2.74 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.851 2.46 . . . . 0.0 108.896 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -82.2 -19.93 38.81 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 121.228 -0.92 . . . . 75.0 112.057 163.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.43 78.9 2.48 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.211 1.804 . . . . 50.0 114.397 -170.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 47.63 33.63 3.14 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 117.624 2.453 . . . . 50.0 117.624 162.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 46.41 46.29 13.84 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.211 1.805 . . . . 0.0 114.884 -176.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 37.3 t80 . . . . . 0 C--O 1.253 1.278 0 N-CA-C 113.222 0.823 . . . . 50.0 113.222 169.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -137.78 19.28 2.86 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.431 1.492 . . . . 0.0 113.543 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 59.7 m -124.39 134.4 25.49 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.706 1.202 . . . . 0.0 110.634 -175.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.96 177.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 124.628 3.552 . . . . 75.0 115.392 167.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.87 127.16 29.97 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.347 -0.845 . . . . 75.0 109.583 161.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.99 178.39 2.29 Favored Glycine 0 CA--C 1.532 1.136 1 CA-C-N 108.325 -4.034 . . . . 50.0 115.867 173.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -161.12 150.68 16.92 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.228 -1.16 . . . . 50.0 111.016 165.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -160.43 165.73 30.54 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 113.765 -1.562 . . . . 75.0 109.686 -176.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -142.28 2.14 1.45 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.386 1.875 . . . . 50.0 112.557 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -90.57 -18.36 25.36 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.714 1.375 . . . . 50.0 114.714 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -120.21 -0.07 10.55 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.039 1.335 . . . . 75.0 113.213 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -49.36 149.28 2.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.871 2.068 . . . . 0.0 114.57 -168.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 31.7 tp -92.28 117.22 29.68 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.773 -1.195 . . . . 50.0 107.773 167.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.5 85.98 4.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.642 2.377 . . . . 75.0 111.419 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.4 -49.07 78.36 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.709 1.604 . . . . 50.0 111.261 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 7.4 m120 45.31 -10.38 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 130.848 3.659 . . . . 75.0 120.845 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 9.9 t -57.25 -28.64 4.87 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 118.56 2.8 . . . . 0.0 118.56 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.61 163.03 31.69 Favored 'Trans proline' 0 C--N 1.355 0.876 0 CA-C-N 123.489 2.282 . . . . 50.0 112.059 170.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.445 HG23 ' H ' ' B' ' 28' ' ' LYS . 12.2 p -156.38 145.1 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.883 0.873 . . . . 50.0 110.952 -170.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -80.21 -4.08 51.66 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.138 0.792 . . . . 50.0 113.138 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.445 ' H ' HG23 ' B' ' 26' ' ' VAL . 36.7 ttmt -121.65 94.13 4.22 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.993 2.517 . . . . 50.0 109.827 176.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 120.319 -1.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 m -143.63 2.0 1.21 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.397 1.479 . . . . 0.0 113.633 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.76 177.91 39.96 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.862 1.22 . . . . 50.0 112.561 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -140.17 145.07 40.15 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 124.083 0.953 . . . . 50.0 111.637 -175.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -69.47 141.56 46.76 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.358 2.705 . . . . 50.0 113.236 -175.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.8 t -136.58 19.1 3.1 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.176 1.79 . . . . 0.0 112.129 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.3 p -95.83 144.89 25.8 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.112 -0.993 . . . . 0.0 112.539 170.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.55 -41.5 66.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.581 1.552 . . . . 50.0 112.835 -176.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.23 -39.12 94.16 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.964 0.792 . . . . 50.0 114.432 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -77.19 -36.69 54.74 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.724 -0.868 . . . . 50.0 111.551 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.32 -44.46 92.57 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 118.562 -0.732 . . . . 50.0 112.64 166.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -55.48 -42.65 74.66 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.111 1.364 . . . . 50.0 112.677 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.51 -36.73 85.16 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.057 -0.402 . . . . 50.0 111.169 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -69.48 -42.5 74.75 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.839 0.856 . . . . 75.0 111.966 172.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.47 -39.13 88.63 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.338 1.427 . . . . 50.0 113.521 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.9 mtt-85 -63.8 -31.17 72.27 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.443 0.565 . . . . 75.0 111.11 170.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.01 -41.93 70.25 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 117.644 -1.169 . . . . 50.0 112.709 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -58.68 -31.74 68.49 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 120.915 1.688 . . . . 75.0 113.019 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.85 -51.08 61.88 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.124 -0.985 . . . . 50.0 113.249 171.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.25 -44.98 86.42 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.641 0.655 . . . . 50.0 112.094 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -61.11 -27.05 68.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.842 1.657 . . . . 50.0 113.816 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.65 -3.89 8.32 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 116.66 1.424 . . . . 75.0 116.66 -161.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.8 p -132.62 156.93 46.02 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 120.395 2.098 . . . . 0.0 111.339 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -63.84 -31.28 72.4 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 117.469 -1.253 . . . . 50.0 113.501 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.85 -21.46 3.04 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 118.474 2.768 . . . . 75.0 118.474 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.6 p 41.59 32.34 0.24 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 117.226 2.306 . . . . 50.0 117.226 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.15 -21.09 0.63 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -168.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -69.84 -18.39 63.44 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.536 1.934 . . . . 50.0 112.892 171.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.418 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.0 m-85 -77.97 151.35 33.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.767 2.027 . . . . 50.0 112.23 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -123.52 -28.58 3.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.033 0.933 . . . . 75.0 113.341 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -155.53 169.24 24.75 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.345 1.458 . . . . 50.0 111.977 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -145.99 156.51 43.54 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.225 1.81 . . . . 50.0 110.855 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.59 142.11 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.401 1.08 . . . . 50.0 110.055 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.0 mt -127.42 124.92 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 125.37 1.468 . . . . 50.0 107.505 -163.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.6 mt -118.55 129.13 55.17 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.506 0.722 . . . . 50.0 109.685 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.5 p -119.14 171.36 8.33 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.952 -169.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.97 159.83 1.09 Allowed 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.694 -0.629 . . . . 50.0 109.672 160.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 65.82 33.61 7.96 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.344 1.058 . . . . 50.0 113.554 170.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 61.51 38.06 16.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.889 2.076 . . . . 50.0 113.935 170.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.93 141.07 18.32 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 123.714 0.673 . . . . 50.0 113.6 171.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -139.59 128.48 23.47 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 128.452 2.701 . . . . 50.0 106.848 170.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.54 134.87 31.23 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.897 0.879 . . . . 50.0 110.304 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.0 t -122.25 139.54 53.66 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.498 1.119 . . . . 0.0 111.495 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.6 t -144.22 131.92 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.364 1.466 . . . . 50.0 110.296 -173.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -81.23 138.59 35.78 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 122.032 0.92 . . . . 50.0 111.921 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.5 mt -90.12 -14.0 34.58 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.975 1.71 . . . . 50.0 111.902 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -55.75 -28.45 55.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.974 1.31 . . . . 75.0 112.857 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.1 p -148.86 169.34 9.31 Favored Pre-proline 0 CA--C 1.54 0.592 0 C-N-CA 127.492 2.317 . . . . 0.0 109.77 -171.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -70.26 151.41 66.22 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 123.016 2.477 . . . . 50.0 111.301 164.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -76.53 155.24 33.88 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.783 0.801 . . . . 50.0 112.929 173.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.17 143.7 57.56 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.455 1.102 . . . . 0.0 112.409 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -57.05 -35.03 68.85 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 120.468 -1.395 . . . . 50.0 114.128 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -71.49 -13.96 61.97 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.918 -1.114 . . . . 50.0 112.885 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -96.19 -33.47 12.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.049 1.74 . . . . 50.0 111.548 168.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -56.38 -41.21 75.87 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 120.148 1.34 . . . . 50.0 111.665 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -83.71 -3.51 57.85 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.678 1.362 . . . . 50.0 114.678 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 p -79.39 139.89 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.683 1.583 . . . . 50.0 110.527 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -81.22 137.91 35.83 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.188 0.994 . . . . 50.0 112.41 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.7 132.01 44.75 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.396 1.878 . . . . 50.0 110.691 174.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.8 -30.65 65.86 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.6 1.333 . . . . 50.0 114.6 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -162.86 -172.25 30.1 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.79 1.186 . . . . 50.0 113.032 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -65.42 151.33 46.58 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.183 1.393 . . . . 50.0 113.071 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 36.6 ttp -70.07 69.45 0.34 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.109 2.163 . . . . 50.0 113.802 -174.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.26 -48.57 45.72 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.243 1.017 . . . . 50.0 112.387 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 97' ' ' TYR . 63.4 tttt -163.88 156.11 17.28 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 113.659 0.985 . . . . 75.0 113.659 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -139.39 149.94 44.71 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.853 1.661 . . . . 0.0 109.708 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.526 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 4.4 m-85 -133.69 150.24 51.53 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.616 1.566 . . . . 50.0 111.784 -174.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -141.49 145.47 35.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.597 1.159 . . . . 50.0 112.683 -168.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -135.88 128.83 31.34 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.256 1.422 . . . . 50.0 110.005 -163.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -69.44 162.22 27.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.688 0.795 . . . . 50.0 111.253 171.723 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -44.51 109.43 0.16 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.521 1.528 . . . . 50.0 112.113 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.71 -6.39 70.33 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.016 1.293 . . . . 50.0 116.303 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -76.12 154.46 35.48 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.189 1.995 . . . . 50.0 113.465 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 m -135.47 12.65 3.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.976 2.51 . . . . 50.0 112.481 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -142.25 130.94 22.71 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.939 2.096 . . . . 75.0 107.865 163.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -61.7 163.38 7.33 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.868 1.433 . . . . 75.0 114.868 -169.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.3 t -127.68 -15.14 5.03 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.503 1.521 . . . . 50.0 113.093 173.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -139.13 134.78 33.31 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.843 1.657 . . . . 50.0 108.346 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.1 m -142.96 160.84 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.829 1.251 . . . . 50.0 111.98 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.3 mt -146.0 130.93 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.055 -1.091 . . . . 50.0 108.055 -172.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -96.51 167.08 11.37 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.458 0.703 . . . . 50.0 110.761 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.03 -166.25 21.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 121.871 -0.518 . . . . 50.0 113.311 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -68.81 124.38 11.41 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.146 2.564 . . . . 50.0 110.461 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 148.82 126.39 1.52 Allowed Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.763 2.125 . . . . 50.0 108.929 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -99.3 -21.82 15.88 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 115.483 1.66 . . . . 50.0 115.483 -165.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -167.11 150.22 6.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.481 1.513 . . . . 0.0 108.576 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -71.74 -23.19 61.57 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.595 -0.691 . . . . 75.0 112.262 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.27 20.9 0.11 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 116.694 2.109 . . . . 50.0 116.694 -168.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 8.2 t80 84.21 120.33 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.163 2.585 . . . . 50.0 112.307 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -151.19 20.5 0.76 Allowed 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -175.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 65.5 t80 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.204 1.402 . . . . 50.0 111.925 173.836 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.019 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.0 t -145.89 7.51 1.08 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.494 1.518 . . . . 0.0 113.798 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -156.42 166.58 16.19 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 126.122 1.769 . . . . 0.0 110.3 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -48.36 164.49 0.2 Allowed 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 124.882 3.721 . . . . 75.0 115.999 167.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -75.34 98.65 3.89 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 122.172 0.987 . . . . 50.0 112.336 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.16 174.63 1.37 Allowed Glycine 0 CA--C 1.539 1.55 1 CA-C-N 106.014 -5.085 . . . . 50.0 115.64 160.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -158.38 150.68 21.87 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.836 1.303 . . . . 50.0 112.942 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.18 161.2 13.99 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 119.885 -1.759 . . . . 50.0 113.649 -165.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -136.59 -11.28 1.84 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.555 1.142 . . . . 50.0 114.002 167.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.61 -8.69 0.56 Allowed 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 115.588 1.699 . . . . 50.0 115.588 172.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -87.91 4.59 44.21 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.905 0.775 . . . . 50.0 112.715 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -54.04 163.18 0.81 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.012 2.125 . . . . 0.0 115.718 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 52.3 tp -110.1 126.93 54.55 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.802 1.641 . . . . 50.0 106.788 160.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -82.45 121.59 26.94 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 125.386 1.474 . . . . 75.0 110.311 166.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -93.43 -44.43 8.26 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.62 1.568 . . . . 50.0 110.505 170.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 15.1 m120 56.47 156.86 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.595 3.158 . . . . 50.0 116.557 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 6.2 t -154.94 22.73 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.413 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -172.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.52 132.04 29.81 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.537 2.825 . . . . 75.0 112.987 -163.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -160.17 142.61 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.241 1.417 . . . . 50.0 110.274 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -105.31 -4.28 21.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.253 1.421 . . . . 50.0 113.239 -176.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -139.69 55.25 1.66 Allowed 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 124.043 1.878 . . . . 50.0 110.254 166.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 119.064 -2.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.746 0.307 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.7 t -150.72 -19.54 0.22 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.785 1.634 . . . . 0.0 113.577 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.39 -165.66 24.93 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.974 1.273 . . . . 50.0 112.976 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.52 119.72 67.77 Favored Pre-proline 0 CA--C 1.548 0.887 0 O-C-N 121.045 -1.267 . . . . 50.0 111.832 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -83.36 163.97 14.81 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 123.208 2.605 . . . . 50.0 111.265 171.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -146.43 5.88 0.95 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 171.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.2 p -131.45 140.48 49.6 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.889 1.275 . . . . 0.0 110.574 173.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -39.62 79.88 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.551 0.945 . . . . 50.0 113.551 -168.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.32 -47.18 92.09 Favored Glycine 0 N--CA 1.476 1.307 0 CA-C-N 119.965 1.257 . . . . 50.0 114.923 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -62.23 -40.11 95.06 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 117.89 0.845 . . . . 50.0 111.483 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.48 -48.85 73.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.694 0.798 . . . . 50.0 112.337 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.1 -42.03 80.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.629 1.572 . . . . 50.0 112.651 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.67 -32.85 74.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.855 0.462 . . . . 50.0 112.143 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -69.56 -50.74 41.84 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.282 0.633 . . . . 75.0 110.755 169.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.01 -38.44 86.09 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.5 1.52 . . . . 50.0 113.748 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -61.63 -36.82 81.87 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.537 0.608 . . . . 50.0 111.075 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -70.97 -33.29 70.3 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.102 -0.951 . . . . 50.0 113.399 172.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -56.21 -40.07 73.46 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.249 1.386 . . . . 75.0 112.908 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.81 -42.11 98.6 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.133 0.879 . . . . 50.0 112.474 176.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -67.67 -41.09 84.3 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.481 1.037 . . . . 50.0 112.179 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -69.49 -15.65 63.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.54 1.936 . . . . 50.0 114.456 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.01 -38.9 0.44 Allowed Glycine 0 CA--C 1.536 1.398 0 N-CA-C 115.897 1.119 . . . . 75.0 115.897 -164.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.8 p -99.89 167.73 10.33 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.822 1.311 . . . . 0.0 113.067 -172.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -74.78 -31.24 61.7 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.216 1.007 . . . . 50.0 112.711 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -154.41 115.88 4.12 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.313 2.245 . . . . 50.0 111.807 172.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.0 p -74.65 -17.64 60.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.579 1.696 . . . . 50.0 115.579 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.57 -13.11 59.75 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -168.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -75.13 -17.22 60.46 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.213 1.005 . . . . 75.0 113.16 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 97.2 m-85 -79.5 152.03 30.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.706 1.202 . . . . 50.0 112.199 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -134.38 -38.74 0.84 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.472 1.109 . . . . 50.0 112.404 -168.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -144.7 172.46 12.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.084 0.772 . . . . 50.0 113.084 166.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -143.6 155.84 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.971 1.708 . . . . 50.0 110.963 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.6 p -140.09 136.85 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.145 1.378 . . . . 50.0 109.957 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.6 mt -119.38 123.12 70.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 125.567 1.547 . . . . 50.0 107.604 -164.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.38 114.81 27.14 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.998 0.919 . . . . 50.0 109.595 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.9 p -101.8 168.54 9.38 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.46 0.648 . . . . 0.0 111.163 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -56.24 165.05 1.12 Allowed 'General case' 0 CA--C 1.551 1.008 0 O-C-N 121.332 -0.855 . . . . 50.0 110.15 160.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 62.33 32.72 16.86 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.382 1.073 . . . . 50.0 113.107 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt 53.7 23.92 3.98 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 128.206 2.602 . . . . 75.0 116.142 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.12 138.69 48.61 Favored Glycine 0 CA--C 1.534 1.274 0 O-C-N 121.453 -0.779 . . . . 50.0 112.302 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -145.27 120.74 10.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.338 2.255 . . . . 50.0 107.128 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -139.24 142.36 37.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.881 1.272 . . . . 50.0 109.093 -176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 t -134.92 138.14 43.8 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.884 1.22 . . . . 0.0 112.064 -175.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.3 t -143.01 121.19 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.703 1.201 . . . . 50.0 110.549 -168.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -68.92 127.29 32.57 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.669 0.747 . . . . 50.0 111.003 167.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.5 mt -78.43 -23.51 46.61 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.191 1.796 . . . . 50.0 112.089 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -56.08 -19.81 14.62 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.696 1.598 . . . . 75.0 114.108 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.9 p -137.76 157.59 73.17 Favored Pre-proline 0 C--O 1.24 0.57 0 C-N-CA 125.766 1.626 . . . . 0.0 109.965 -175.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.86 145.2 73.79 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.505 2.136 . . . . 50.0 110.649 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.08 132.31 47.02 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.334 1.053 . . . . 75.0 111.335 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.82 143.06 56.9 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -62.31 -26.3 68.35 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.947 1.832 . . . . 50.0 115.947 -167.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.55 -39.0 65.05 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.011 -1.056 . . . . 75.0 112.111 170.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -69.45 -29.64 67.38 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.204 1.402 . . . . 75.0 111.337 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -56.71 -22.87 38.29 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.761 0.824 . . . . 50.0 113.029 169.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -124.17 22.34 8.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.359 1.464 . . . . 50.0 112.461 -166.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 p -96.67 136.1 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.589 0.756 . . . . 50.0 110.863 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -67.39 146.74 53.74 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.767 1.227 . . . . 50.0 112.847 176.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.88 146.02 26.35 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.151 1.38 . . . . 50.0 111.499 174.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.77 -23.32 52.95 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.309 1.444 . . . . 50.0 114.811 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.26 -177.02 37.37 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.412 1.006 . . . . 50.0 111.921 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -60.94 147.0 44.8 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.043 1.337 . . . . 50.0 112.727 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.01 62.72 0.05 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.803 2.441 . . . . 50.0 113.717 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.449 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 9.0 t80 -56.27 -46.99 79.45 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.003 -1.06 . . . . 50.0 112.15 -175.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.449 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 29.1 pttt -160.28 166.77 28.9 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.474 1.657 . . . . 75.0 115.474 166.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.7 m -134.08 148.02 50.96 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.754 2.022 . . . . 0.0 109.633 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -123.63 151.5 42.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.7 1.6 . . . . 50.0 111.57 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -138.6 146.65 42.03 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 125.341 1.456 . . . . 50.0 111.345 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -133.68 131.93 40.07 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 125.125 1.37 . . . . 50.0 109.58 -167.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -72.08 166.27 22.61 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.225 0.454 . . . . 50.0 112.225 172.263 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -47.01 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.517 1.927 . . . . 50.0 111.886 173.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.21 -3.79 47.88 Favored Glycine 0 CA--C 1.542 1.759 0 C-N-CA 125.779 1.657 . . . . 50.0 117.157 177.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -72.78 163.58 27.89 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.917 1.859 . . . . 50.0 113.982 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.0 p -144.26 11.57 1.53 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.26 1.824 . . . . 75.0 114.338 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -143.32 134.68 26.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.621 1.968 . . . . 75.0 106.968 160.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -59.59 163.98 3.86 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.291 1.219 . . . . 75.0 114.291 -166.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.8 t -126.76 -16.86 5.11 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.218 0.821 . . . . 50.0 113.218 169.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -131.95 143.58 50.21 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.299 1.04 . . . . 50.0 109.962 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.03 152.38 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.723 0 C-N-CA 125.147 1.379 . . . . 75.0 111.461 -176.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.9 mt -143.02 136.22 25.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.6 -0.889 . . . . 50.0 108.6 -166.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -103.38 161.05 14.17 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.075 1.35 . . . . 75.0 111.013 -174.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -161.94 -161.15 11.59 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.727 -0.485 . . . . 50.0 113.65 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -61.82 135.34 55.37 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.511 2.141 . . . . 50.0 109.808 172.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.74 161.49 11.16 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 127.863 2.649 . . . . 75.0 110.209 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -139.3 -9.26 1.28 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.006 1.113 . . . . 75.0 114.006 -173.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t -166.04 149.88 7.79 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.8 1.24 . . . . 0.0 110.12 173.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -71.69 -27.66 63.19 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.512 -0.742 . . . . 75.0 112.115 169.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -78.87 71.79 5.35 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.847 1.659 . . . . 50.0 113.409 -173.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 45.71 49.56 11.23 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.774 1.629 . . . . 50.0 115.234 171.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 43.82 45.62 6.26 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.828 2.051 . . . . 0.0 116.026 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 61.6 t80 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 124.098 0.959 . . . . 50.0 112.955 165.548 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.0 t -161.81 146.9 13.17 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.558 1.143 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.406 ' H ' ' CD ' ' B' ' 9' ' ' PRO . 11.5 t -162.24 -38.08 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.103 0 N-CA-C 117.457 2.391 . . . . 0.0 117.457 -178.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.406 ' CD ' ' H ' ' B' ' 8' ' ' THR . 3.4 Cg_endo -85.76 12.71 2.96 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.351 2.7 . . . . 75.0 114.716 -164.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' B' ' 12' ' ' GLY . 11.7 m-20 63.6 94.16 0.05 Allowed 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 129.266 3.026 . . . . 50.0 110.926 -168.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' B' ' 10' ' ' ASP . . . 96.82 170.29 34.0 Favored Glycine 0 CA--C 1.537 1.454 0 CA-C-N 109.862 -3.335 . . . . 50.0 112.781 174.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 46.9 p-80 -151.19 147.13 26.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.506 1.153 . . . . 50.0 113.927 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.42 163.33 14.71 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.196 -1.565 . . . . 50.0 115.043 -168.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -135.9 27.21 3.28 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.08 1.752 . . . . 50.0 112.249 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -169.72 -38.29 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.388 1.475 . . . . 50.0 114.272 -174.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -67.84 -27.96 67.15 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.708 0.803 . . . . 50.0 112.67 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.5 t -42.35 144.06 0.55 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.929 2.092 . . . . 0.0 116.463 -163.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.4 tp -95.55 125.63 40.29 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.621 1.168 . . . . 50.0 108.667 165.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.7 119.99 23.39 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.883 2.473 . . . . 75.0 111.605 166.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.42 31.64 1.94 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.155 2.582 . . . . 50.0 111.367 169.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -150.26 133.54 16.36 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.997 1.319 . . . . 75.0 110.569 173.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.506 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 5.2 t -161.84 -26.53 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 -167.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.506 ' CD ' ' H ' ' B' ' 24' ' ' THR . 63.7 Cg_endo -82.42 82.8 2.16 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 123.295 2.664 . . . . 50.0 113.392 -169.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 p -155.93 148.87 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.331 1.852 . . . . 50.0 109.643 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -117.95 -17.65 9.67 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.324 1.049 . . . . 50.0 112.682 175.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -150.63 102.35 3.01 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.009 2.123 . . . . 50.0 109.752 169.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 O-C-N 119.46 -2.025 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -166.22 172.43 11.18 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.791 1.637 . . . . 0.0 111.13 -174.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.1 -162.93 13.9 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.414 1.007 . . . . 50.0 113.694 -173.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -128.58 153.13 79.44 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 125.707 1.603 . . . . 50.0 110.508 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -74.15 166.35 29.78 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.116 1.877 . . . . 75.0 110.435 166.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.3 t -151.96 4.33 0.4 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -175.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.4 p -138.08 125.89 22.46 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.904 1.229 . . . . 0.0 111.608 165.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -38.52 63.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.793 0.837 . . . . 50.0 112.551 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.94 -36.46 51.01 Favored Glycine 0 CA--C 1.54 1.617 0 N-CA-C 116.112 1.205 . . . . 50.0 116.112 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -69.22 -31.25 69.7 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 118.826 1.313 . . . . 75.0 112.546 176.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 tt -84.66 -44.72 13.17 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.503 1.521 . . . . 50.0 111.715 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.57 -42.7 67.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.578 1.551 . . . . 50.0 112.582 173.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -65.73 -33.56 76.15 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.85 -0.531 . . . . 50.0 111.233 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -72.98 -41.85 63.91 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.635 -0.666 . . . . 75.0 111.319 172.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.51 -38.13 88.73 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 120.085 1.311 . . . . 50.0 113.721 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -61.05 -23.59 65.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.586 1.154 . . . . 75.0 111.891 169.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -87.3 -33.71 19.13 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.895 1.443 . . . . 50.0 114.895 169.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -54.03 -44.84 71.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 121.293 1.861 . . . . 75.0 114.021 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.82 -43.37 98.98 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.502 -0.748 . . . . 50.0 112.009 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -66.5 -39.33 88.65 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.52 1.054 . . . . 75.0 112.345 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -64.5 -31.02 72.06 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.188 1.795 . . . . 50.0 113.479 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.23 -28.54 1.0 Allowed Glycine 0 CA--C 1.536 1.357 0 N-CA-C 117.06 1.584 . . . . 75.0 117.06 -160.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.8 p -86.42 172.46 10.36 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.783 1.791 . . . . 0.0 111.497 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -80.34 -28.23 38.17 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.811 -0.556 . . . . 75.0 112.454 167.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -152.9 118.12 5.2 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.414 1.886 . . . . 50.0 112.061 171.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.1 t -81.19 -18.51 45.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.08 1.352 . . . . 50.0 114.184 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.79 -8.43 48.15 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -171.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -87.2 -16.01 36.57 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.939 -1.101 . . . . 75.0 113.716 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -83.34 146.23 28.61 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.397 0.999 . . . . 50.0 112.183 -173.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -115.15 -28.03 7.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.784 0.833 . . . . 75.0 113.058 -173.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -160.81 175.25 12.78 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.824 1.65 . . . . 75.0 112.06 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -154.37 159.82 41.35 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.217 1.807 . . . . 50.0 112.621 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.3 p -148.48 148.95 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.873 1.269 . . . . 50.0 110.074 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.6 mt -130.61 136.36 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 125.845 1.658 . . . . 50.0 108.829 -166.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -118.35 129.17 55.28 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.651 1.58 . . . . 75.0 108.584 172.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p -121.17 164.99 16.03 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 122.479 1.133 . . . . 0.0 112.585 -173.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.64 163.98 3.92 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.675 -0.693 . . . . 50.0 110.583 160.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 52.65 31.98 11.11 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.263 1.425 . . . . 50.0 113.935 -166.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 60.03 28.67 18.23 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.822 2.449 . . . . 50.0 115.398 168.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.06 155.42 42.39 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 114.503 0.561 . . . . 50.0 114.503 174.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -142.26 134.38 27.49 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.72 2.408 . . . . 50.0 108.351 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -144.53 141.76 29.73 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.134 0.974 . . . . 50.0 110.529 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 t -135.03 132.05 37.8 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.687 1.195 . . . . 0.0 110.028 -172.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.4 t -145.86 140.87 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.509 1.124 . . . . 50.0 110.383 -171.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -89.73 149.13 22.88 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 122.08 0.943 . . . . 50.0 112.794 175.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.56 -18.2 13.79 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.388 2.275 . . . . 50.0 111.868 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -58.57 -15.67 12.42 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.315 1.046 . . . . 75.0 113.504 164.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -142.42 147.55 43.66 Favored Pre-proline 0 C--O 1.239 0.523 0 C-N-CA 125.526 1.53 . . . . 0.0 110.415 -171.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.81 133.23 40.86 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.741 2.294 . . . . 50.0 109.857 159.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.68 145.39 47.25 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.434 0.561 . . . . 50.0 112.256 175.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.1 160.1 32.67 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.87 -31.3 71.56 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.994 1.85 . . . . 50.0 115.994 -171.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -69.12 -37.74 78.5 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.75 1.614 . . . . 50.0 111.213 171.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -69.65 -29.39 66.84 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.187 1.395 . . . . 75.0 111.181 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -63.25 -21.69 66.4 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.497 0.925 . . . . 50.0 113.497 167.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -120.58 1.86 10.64 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.517 1.127 . . . . 50.0 113.889 -167.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.31 142.19 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 119.13 0.877 . . . . 50.0 111.934 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -61.19 151.98 30.01 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.481 1.289 . . . . 50.0 114.481 -176.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.9 mt -117.83 119.13 33.95 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.262 1.825 . . . . 50.0 110.747 175.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.51 -28.51 70.0 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.688 1.366 . . . . 50.0 114.688 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.93 -172.95 38.36 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 119.18 0.9 . . . . 50.0 114.013 -177.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -67.27 149.97 49.68 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.459 1.504 . . . . 50.0 112.091 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 38.5 ttp -74.01 66.38 1.19 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.485 1.914 . . . . 50.0 114.653 -173.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.84 -55.32 10.02 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.885 1.274 . . . . 50.0 114.332 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -150.25 154.58 38.17 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.621 1.101 . . . . 75.0 112.468 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 m -140.99 149.75 42.18 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.49 1.116 . . . . 0.0 110.218 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -135.96 148.75 48.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.35 1.06 . . . . 50.0 111.309 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -143.66 147.97 35.1 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.362 1.465 . . . . 50.0 111.795 -170.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -138.55 135.36 34.97 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.677 1.191 . . . . 50.0 110.115 -162.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -75.17 168.06 20.71 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.327 0.862 . . . . 75.0 113.327 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -59.43 74.69 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 128.721 2.808 . . . . 50.0 114.444 175.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.36 26.62 0.73 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.528 2.013 . . . . 50.0 114.008 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -139.11 143.39 38.23 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.538 1.669 . . . . 50.0 112.442 -169.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.9 m -139.55 28.88 2.18 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.41 1.084 . . . . 50.0 112.316 175.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -146.56 119.84 8.95 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.089 -1.449 . . . . 75.0 107.089 160.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -48.61 159.41 0.23 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.58 2.067 . . . . 75.0 116.58 -160.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 t -124.24 -14.44 6.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.876 1.271 . . . . 50.0 112.586 168.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -136.52 136.13 39.11 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.618 1.167 . . . . 50.0 108.65 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 20.1 m -140.68 160.04 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 124.631 1.172 . . . . 50.0 111.531 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.4 mt -141.99 133.79 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.258 -0.645 . . . . 50.0 109.258 -165.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -98.96 111.6 23.95 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 108.459 -0.941 . . . . 50.0 108.459 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.41 -171.95 23.04 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 111.974 -0.451 . . . . 50.0 111.974 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.93 120.33 6.98 Favored 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.421 2.081 . . . . 75.0 109.384 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.7 135.52 2.99 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 126.807 2.146 . . . . 50.0 110.187 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -110.81 -21.63 11.96 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.028 1.121 . . . . 75.0 114.028 -166.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -165.11 167.6 18.08 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.023 1.729 . . . . 0.0 108.883 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -80.73 -17.62 50.42 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.961 -1.087 . . . . 75.0 113.455 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -50.63 -67.1 0.28 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 117.813 2.523 . . . . 50.0 117.813 -163.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -160.55 22.08 0.15 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.023 1.86 . . . . 50.0 116.023 -163.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 48.29 33.05 3.48 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.878 2.071 . . . . 0.0 116.341 -176.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 38.3 t80 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 126.203 1.801 . . . . 50.0 112.259 -172.194 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.008 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -149.27 151.43 34.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.587 1.155 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.0 m -143.74 140.27 17.13 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 124.777 1.231 . . . . 0.0 109.301 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.73 169.76 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.451 2.767 . . . . 75.0 114.394 169.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -68.11 126.92 31.03 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 160.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.96 169.4 39.04 Favored Glycine 0 CA--C 1.534 1.28 0 CA-C-N 110.635 -2.984 . . . . 75.0 113.68 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -155.57 154.72 32.13 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 122.25 1.024 . . . . 50.0 112.21 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.37 151.05 26.02 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.427 -1.42 . . . . 50.0 113.03 -171.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -147.27 35.68 0.9 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.327 0.651 . . . . 50.0 112.427 165.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -160.27 -27.63 0.06 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.598 1.703 . . . . 50.0 115.598 -174.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.77 -23.19 21.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.964 0.906 . . . . 50.0 112.002 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -39.49 134.79 1.2 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 -160.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 47.2 tp -92.83 141.47 28.4 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.161 1.785 . . . . 50.0 107.636 166.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.58 142.09 35.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.69 1.196 . . . . 50.0 112.177 173.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mp -125.15 -1.82 7.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.382 2.673 . . . . 50.0 114.124 -168.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -53.4 -48.79 68.38 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.622 1.712 . . . . 75.0 115.622 -160.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 12.3 t 31.94 51.86 0.68 Allowed Pre-proline 0 N--CA 1.485 1.321 0 C-N-CA 125.963 1.705 . . . . 0.0 115.041 -171.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.46 159.27 46.72 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.697 2.931 . . . . 75.0 111.973 -166.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 6.3 p -146.92 138.58 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 124.055 0.942 . . . . 50.0 110.748 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -92.28 -3.72 55.04 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.114 0.783 . . . . 50.0 113.114 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -151.22 111.07 4.06 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.364 1.866 . . . . 50.0 109.875 165.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 120.895 -1.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -163.35 -36.14 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.7 29.95 22.51 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 115.847 1.099 . . . . 50.0 115.847 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.5 mt -62.02 124.07 80.4 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 119.713 1.757 . . . . 50.0 112.236 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -74.31 155.83 46.26 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.056 2.504 . . . . 50.0 115.413 -169.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -160.18 48.08 0.26 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 127.074 2.15 . . . . 0.0 109.235 160.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -133.26 158.32 43.21 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.872 0.869 . . . . 0.0 112.323 -171.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.5 mt -51.74 -32.42 30.52 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-O 117.71 -1.138 . . . . 50.0 113.57 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.9 -37.1 52.34 Favored Glycine 0 CA--C 1.538 1.47 0 CA-C-N 120.39 1.45 . . . . 50.0 114.449 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -86.02 -38.46 17.86 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.846 1.323 . . . . 75.0 114.33 175.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.08 -39.5 90.14 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.31 0.485 . . . . 50.0 112.31 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -59.32 -43.05 92.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.323 1.849 . . . . 50.0 113.009 171.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.63 -40.19 91.01 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.025 0.53 . . . . 50.0 111.013 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -64.67 -47.96 76.49 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.849 1.26 . . . . 50.0 112.417 171.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -66.29 -38.15 87.09 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.57 1.077 . . . . 50.0 113.372 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -61.25 -35.62 77.75 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.01 0.924 . . . . 50.0 110.74 171.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -70.56 -41.48 72.38 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.341 0.867 . . . . 50.0 113.341 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -54.23 -31.23 52.76 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.414 1.264 . . . . 75.0 114.414 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.51 -53.58 33.5 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.25 0.932 . . . . 50.0 112.517 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -63.09 -40.22 97.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.825 0.739 . . . . 50.0 112.072 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -77.87 -11.97 59.94 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.558 2.343 . . . . 50.0 115.215 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -135.41 -10.52 1.45 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 116.151 1.22 . . . . 75.0 116.151 -168.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.0 p -114.45 154.96 27.24 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.138 1.469 . . . . 0.0 111.414 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -65.39 -30.17 70.96 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.672 -0.643 . . . . 50.0 111.879 173.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -149.38 111.26 4.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.373 1.469 . . . . 50.0 112.035 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.7 t -70.69 -27.78 64.27 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.251 1.42 . . . . 50.0 114.219 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.8 -7.46 27.89 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -170.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -84.76 -15.69 44.16 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.824 -1.172 . . . . 75.0 112.872 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -85.97 152.06 23.24 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.266 0.939 . . . . 50.0 113.176 -173.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -135.94 -36.73 0.75 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.893 1.277 . . . . 50.0 112.607 -166.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -149.07 172.37 14.88 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.993 0.917 . . . . 50.0 112.405 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -149.93 155.56 40.2 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 125.701 1.6 . . . . 50.0 111.47 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.01 133.52 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 125.948 1.699 . . . . 50.0 109.094 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.3 mt -124.2 132.29 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.168 1.387 . . . . 50.0 107.72 -162.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.2 mt -122.25 101.64 7.64 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.486 1.115 . . . . 50.0 109.131 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -90.5 174.03 7.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.112 0.965 . . . . 0.0 112.556 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -51.18 162.76 0.28 Allowed 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.813 -1.179 . . . . 50.0 110.44 160.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 61.12 34.8 18.88 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.321 1.048 . . . . 50.0 112.856 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 53.89 24.81 4.79 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.665 2.386 . . . . 50.0 114.341 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.78 83.33 0.16 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.593 1.092 . . . . 50.0 112.815 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -77.12 134.91 38.57 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.067 -1.086 . . . . 50.0 108.067 162.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -143.31 149.02 37.23 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.634 1.574 . . . . 50.0 109.941 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 t -134.97 136.65 42.38 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.786 0.721 . . . . 0.0 111.901 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.5 t -144.19 134.04 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.96 1.304 . . . . 50.0 110.66 -166.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -95.01 113.79 25.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 122.228 1.013 . . . . 50.0 111.191 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.67 -16.63 64.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.194 1.798 . . . . 50.0 111.987 170.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -63.32 -13.45 39.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.445 1.498 . . . . 50.0 114.623 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 64.6 p -146.26 158.82 47.11 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 125.053 1.341 . . . . 0.0 111.53 -172.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.27 154.83 17.52 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 124.314 3.343 . . . . 50.0 113.956 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.28 124.64 20.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.385 1.074 . . . . 50.0 112.26 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.29 133.78 49.31 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.678 1.191 . . . . 0.0 112.62 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.45 -23.59 62.82 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.385 1.254 . . . . 50.0 114.385 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -67.45 -38.81 85.06 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.885 -1.134 . . . . 50.0 111.264 173.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -72.32 -24.08 61.26 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.319 -0.863 . . . . 50.0 112.609 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -64.4 -8.64 14.03 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.585 1.154 . . . . 50.0 113.945 166.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -132.81 -11.16 3.04 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.72 1.378 . . . . 50.0 114.72 -171.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.09 128.85 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.125 1.37 . . . . 50.0 111.54 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -74.57 136.89 42.08 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.318 -0.864 . . . . 50.0 112.671 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -70.72 106.31 3.5 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.504 1.521 . . . . 50.0 112.095 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.4 mt -56.62 -28.12 59.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.51 1.524 . . . . 50.0 114.961 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -172.84 179.86 44.03 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.255 0.931 . . . . 50.0 113.475 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -70.43 152.56 43.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.997 0.919 . . . . 50.0 113.2 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 36.4 ttp -72.7 60.79 0.51 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 128.042 2.537 . . . . 50.0 115.063 -169.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -53.42 -45.92 69.57 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.739 1.385 . . . . 50.0 114.739 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -151.38 149.24 29.08 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.504 -0.747 . . . . 75.0 111.609 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.0 m -138.24 150.9 47.15 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.295 1.038 . . . . 0.0 110.303 169.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.413 ' CD2' ' CG1' ' A' ' 109' ' ' VAL . 3.9 m-85 -132.88 151.26 52.06 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.334 1.854 . . . . 50.0 111.056 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -143.14 143.48 31.83 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.207 1.403 . . . . 50.0 112.797 -165.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -126.88 134.44 50.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.026 1.33 . . . . 50.0 111.651 -169.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -70.48 163.28 27.14 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.399 0.68 . . . . 50.0 112.725 173.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -69.02 52.26 0.09 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.999 2.52 . . . . 50.0 114.249 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.33 41.23 0.02 OUTLIER Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.893 2.187 . . . . 50.0 110.856 -173.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -152.18 149.96 29.32 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.02 0.91 . . . . 50.0 112.801 -167.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.8 m -139.54 12.89 2.54 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.579 2.351 . . . . 50.0 111.987 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -139.49 116.46 10.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.515 1.526 . . . . 75.0 109.313 166.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.75 118.63 10.56 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.497 0.925 . . . . 75.0 113.497 -161.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.2 t -77.86 -23.76 48.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.447 1.499 . . . . 50.0 114.955 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -124.47 145.16 49.68 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.641 0.777 . . . . 50.0 110.125 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.437 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -152.42 155.59 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.584 1.554 . . . . 50.0 111.606 -170.155 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.1 mt -145.25 145.89 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 O-C-N 121.284 -0.885 . . . . 50.0 109.868 -169.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -107.62 144.37 34.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.572 1.149 . . . . 75.0 111.296 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.16 -177.67 28.67 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 116.505 -0.316 . . . . 50.0 113.133 174.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.82 138.53 34.63 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.122 2.548 . . . . 50.0 111.379 -177.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.05 -19.73 0.18 Allowed Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.643 2.068 . . . . 50.0 114.197 173.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm 56.12 -21.46 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 129.069 2.948 . . . . 75.0 117.828 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -168.94 152.96 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.272 1.829 . . . . 0.0 109.806 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -82.75 -22.53 34.33 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.742 -0.599 . . . . 50.0 111.794 167.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -81.55 98.49 8.33 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.832 -1.168 . . . . 50.0 112.349 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.0 t80 55.08 25.31 6.91 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.548 2.055 . . . . 50.0 116.548 164.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 45.82 34.14 1.77 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.253 1.821 . . . . 0.0 114.107 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 124.175 0.99 . . . . 50.0 112.572 -161.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.7 t -138.35 17.15 2.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.538 1.135 . . . . 0.0 114.043 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.668 ' HG1' ' CD2' ' B' ' 11' ' ' TYS . 18.2 p -136.38 156.86 76.32 Favored Pre-proline 0 N--CA 1.478 0.952 0 C-N-CA 125.327 1.451 . . . . 0.0 112.633 -173.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.58 104.57 0.12 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 124.533 3.488 . . . . 75.0 115.79 -172.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.8 t70 75.34 -67.65 0.24 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 128.228 2.611 . . . . 50.0 114.82 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . 0.668 ' CD2' ' HG1' ' B' ' 8' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.58 170.83 0.42 Allowed Glycine 0 CA--C 1.535 1.335 1 CA-C-N 107.103 -4.59 . . . . 75.0 117.68 163.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.437 ' CD2' HG23 ' A' ' 109' ' ' VAL . 41.1 p-80 -149.68 156.51 42.01 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.906 2.082 . . . . 50.0 110.333 171.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -143.96 164.36 30.8 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.879 -1.055 . . . . 75.0 112.075 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -143.3 5.3 1.45 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.561 1.944 . . . . 50.0 113.098 -173.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -141.7 -26.15 0.68 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.963 1.705 . . . . 50.0 113.266 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -102.2 61.77 0.86 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.018 1.327 . . . . 75.0 110.711 165.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.5 t -115.18 161.38 18.5 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.952 2.501 . . . . 0.0 110.371 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -103.72 101.54 11.37 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 103.747 -2.686 . . . . 50.0 103.747 171.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.3 102.08 14.8 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.57 1.948 . . . . 50.0 110.933 -177.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mp -68.68 6.62 0.8 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.821 2.448 . . . . 50.0 114.09 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -109.14 -37.63 5.74 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 116.511 2.041 . . . . 75.0 116.511 -166.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.3 t -160.75 4.55 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.628 0 N-CA-C 120.642 3.571 . . . . 0.0 120.642 -159.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -62.56 130.23 29.19 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.591 2.861 . . . . 75.0 114.533 -160.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 8.9 p -158.87 120.65 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.64 1.576 . . . . 50.0 109.349 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -127.85 -0.67 6.0 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.712 1.205 . . . . 50.0 114.232 -161.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -142.7 85.02 1.87 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.146 1.378 . . . . 50.0 110.808 174.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 O-C-N 120.994 -1.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -78.53 173.71 12.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.602 1.561 . . . . 0.0 114.697 -173.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.65 -35.35 0.05 OUTLIER Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.353 1.454 . . . . 50.0 113.695 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.0 mt -84.69 140.71 38.15 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 118.369 1.085 . . . . 50.0 110.608 169.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.73 139.99 31.62 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.578 2.185 . . . . 50.0 113.256 -169.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.3 t -150.12 42.89 0.86 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.833 1.253 . . . . 0.0 111.169 164.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.4 p -127.81 148.26 50.44 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.901 -1.124 . . . . 0.0 111.781 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.63 -35.38 70.41 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 117.633 -1.175 . . . . 50.0 113.624 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.74 -50.57 60.14 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 120.846 1.657 . . . . 50.0 112.913 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.96 -33.9 64.06 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.812 1.645 . . . . 50.0 112.435 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tp -71.81 -44.81 63.28 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.502 0.592 . . . . 50.0 112.045 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.7 -40.68 84.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.65 1.58 . . . . 50.0 112.156 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -64.46 -43.74 93.27 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.636 0.374 . . . . 50.0 110.392 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -65.79 -42.79 90.32 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.757 -0.639 . . . . 50.0 112.309 174.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.0 -37.94 82.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.175 1.39 . . . . 50.0 113.688 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -62.69 -33.08 74.35 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 118.652 -0.69 . . . . 75.0 110.71 170.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -71.72 -44.57 63.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 118.07 -0.966 . . . . 50.0 113.544 168.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -55.44 -30.95 61.46 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.61 1.55 . . . . 75.0 112.456 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.38 -48.0 74.42 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 120.87 -1.144 . . . . 50.0 113.89 172.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -70.31 -43.3 70.62 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.78 0.718 . . . . 75.0 112.012 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -57.93 -37.14 73.56 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.782 1.233 . . . . 50.0 113.149 171.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.79 -2.73 25.38 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 116.507 1.363 . . . . 75.0 116.507 -160.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.9 p -122.14 158.94 28.22 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.332 1.566 . . . . 0.0 112.57 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -68.62 -29.2 67.65 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.358 0.873 . . . . 75.0 113.358 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -157.53 100.98 1.82 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.475 2.31 . . . . 75.0 111.6 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 p -65.51 -21.56 66.63 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.109 1.522 . . . . 50.0 115.109 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.7 -23.12 62.87 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -172.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -77.62 -14.31 59.67 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.491 1.116 . . . . 50.0 113.249 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -84.96 144.49 28.29 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.261 0.937 . . . . 50.0 113.111 -173.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -129.8 -30.91 2.0 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.114 1.366 . . . . 50.0 112.89 -165.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -151.35 175.04 12.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 122.234 1.016 . . . . 75.0 111.9 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -150.0 159.4 44.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.138 -1.847 . . . . 50.0 111.169 174.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 p -141.79 136.99 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 124.703 1.201 . . . . 50.0 109.555 175.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.4 mt -119.9 124.04 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.656 1.582 . . . . 50.0 107.589 -163.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -118.89 130.42 55.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.845 1.258 . . . . 75.0 110.166 -176.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.2 p -124.38 171.41 9.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.838 0.855 . . . . 0.0 112.078 -172.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -51.66 163.37 0.31 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 120.875 0.369 . . . . 50.0 110.183 160.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 60.67 33.04 20.36 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.454 1.102 . . . . 50.0 113.051 175.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 53.85 31.01 12.38 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.125 2.57 . . . . 75.0 114.83 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.03 139.29 38.1 Favored Glycine 0 CA--C 1.537 1.412 0 O-C-N 121.781 -0.574 . . . . 50.0 112.876 167.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -148.97 123.8 9.93 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 128.371 2.669 . . . . 50.0 107.287 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -143.28 116.71 9.09 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.936 0.894 . . . . 50.0 109.753 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 t -101.72 139.51 37.27 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 119.103 0.865 . . . . 0.0 111.55 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -142.9 119.53 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.366 1.867 . . . . 50.0 109.537 -167.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -77.11 138.02 39.27 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.02 0.914 . . . . 50.0 111.329 172.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.1 mt -95.94 -14.8 22.81 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.384 1.874 . . . . 50.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -66.29 -8.97 28.33 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.064 1.346 . . . . 75.0 113.144 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.8 p -135.85 152.83 76.54 Favored Pre-proline 0 C--O 1.241 0.615 0 C-N-CA 126.29 1.836 . . . . 0.0 110.975 -169.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.83 153.01 78.11 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.43 2.753 . . . . 50.0 111.862 166.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -69.28 135.99 51.25 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.634 -0.666 . . . . 50.0 112.18 171.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.36 130.08 44.35 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.752 -0.593 . . . . 0.0 111.241 163.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.73 -21.84 63.38 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.552 2.056 . . . . 50.0 116.552 -167.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.89 -20.29 65.89 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.575 1.534 . . . . 75.0 112.71 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.43 -26.78 66.98 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.839 1.256 . . . . 50.0 112.185 169.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -70.02 -15.72 63.06 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.317 -0.864 . . . . 50.0 112.866 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -105.99 -24.36 12.43 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.509 0.929 . . . . 75.0 113.509 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.36 115.52 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 119.734 1.152 . . . . 50.0 110.997 -175.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.12 133.06 42.8 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.446 -0.784 . . . . 50.0 109.942 168.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.58 150.68 48.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.978 1.311 . . . . 50.0 111.598 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.09 -27.58 68.17 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.936 0.894 . . . . 50.0 113.067 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.33 -173.97 35.26 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.455 1.026 . . . . 50.0 113.666 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -67.53 146.74 53.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.124 0.97 . . . . 50.0 111.158 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 52.3 ttp -60.21 112.73 2.03 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.462 1.105 . . . . 50.0 111.046 176.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -85.56 -55.36 4.03 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.328 0.513 . . . . 50.0 109.948 169.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -147.91 154.74 40.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.215 0.606 . . . . 75.0 112.583 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.0 m -125.1 142.74 51.3 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 124.378 1.071 . . . . 0.0 108.965 164.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -126.76 133.19 50.9 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.625 1.57 . . . . 50.0 108.284 -172.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -131.46 143.33 50.35 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.159 1.384 . . . . 50.0 111.71 -167.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -134.22 136.49 43.71 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.482 0.713 . . . . 50.0 111.265 -167.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -66.85 165.25 15.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.892 0.877 . . . . 75.0 112.62 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -51.85 110.85 0.51 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.178 1.791 . . . . 50.0 110.536 170.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.0 -1.17 73.75 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 115.735 1.054 . . . . 50.0 115.735 -176.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -96.88 145.08 26.21 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.346 1.573 . . . . 50.0 112.15 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.3 m -138.62 30.59 2.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.439 1.496 . . . . 50.0 111.827 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -143.45 112.0 6.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.36 1.464 . . . . 75.0 108.339 160.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 96.5 p -57.8 106.46 0.36 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.467 1.284 . . . . 75.0 114.467 -163.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.0 t -67.73 -20.78 65.29 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.712 1.004 . . . . 50.0 113.712 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -126.3 142.11 51.65 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.598 1.159 . . . . 50.0 110.41 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.7 m -147.83 154.72 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.748 1.619 . . . . 50.0 112.006 -176.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.4 mt -147.27 136.44 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 124.397 1.079 . . . . 50.0 108.317 -177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -116.07 152.54 33.4 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.376 0.607 . . . . 75.0 110.883 -168.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.06 177.71 22.55 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.064 1.316 . . . . 50.0 113.162 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -80.29 40.05 0.92 Allowed 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 124.109 3.206 . . . . 75.0 114.239 -167.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.5 -25.68 17.74 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 120.208 -1.557 . . . . 50.0 114.582 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? 61.3 -27.09 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.59 2.356 . . . . 75.0 116.844 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -165.92 163.23 18.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.812 2.045 . . . . 0.0 109.709 -177.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -89.59 -17.91 27.58 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.493 -0.754 . . . . 75.0 113.027 165.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -86.02 76.11 9.86 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.31 1.444 . . . . 50.0 113.345 -164.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 12.2 t80 44.58 53.73 6.93 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.278 1.831 . . . . 50.0 115.184 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.46 64.66 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.397 1.879 . . . . 0.0 113.024 173.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 77.1 t80 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 127.06 2.144 . . . . 50.0 111.273 170.575 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.8 t -134.42 15.86 3.73 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.708 1.203 . . . . 0.0 113.061 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.52 ' H ' ' CD ' ' B' ' 9' ' ' PRO . 2.8 t -155.63 -16.75 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 -176.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.52 ' CD ' ' H ' ' B' ' 8' ' ' THR . 88.2 Cg_endo -79.42 88.57 1.43 Allowed 'Trans proline' 0 C--N 1.355 0.875 0 CA-C-N 124.039 2.478 . . . . 75.0 112.875 -170.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -137.16 69.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 128.087 2.555 . . . . 75.0 106.292 162.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.39 167.77 1.4 Allowed Glycine 0 CA--C 1.528 0.862 1 CA-C-N 105.967 -5.106 . . . . 50.0 116.96 160.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -154.76 149.78 26.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 122.307 1.051 . . . . 50.0 111.653 167.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -145.77 167.83 22.22 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.11 -1.619 . . . . 75.0 110.472 -176.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -131.56 -19.12 2.73 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.842 1.257 . . . . 50.0 113.79 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.32 -19.43 8.28 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.595 1.331 . . . . 50.0 114.595 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -97.35 2.29 50.41 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.628 0.771 . . . . 50.0 112.638 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 t -52.86 159.35 1.15 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.713 2.405 . . . . 0.0 115.207 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 52.7 tp -100.94 120.53 40.3 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.529 -1.285 . . . . 50.0 107.529 160.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -95.75 85.9 4.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.57 2.348 . . . . 50.0 111.296 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mp -62.34 -54.27 42.85 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.92 2.088 . . . . 50.0 112.672 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 27.15 6.16 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.344 2 C-N-CA 133.607 4.763 . . . . 75.0 122.163 -173.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -135.46 -25.65 0.02 OUTLIER Pre-proline 0 N--CA 1.479 1.018 0 N-CA-C 117.705 2.484 . . . . 0.0 117.705 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -80.47 127.88 6.74 Favored 'Trans proline' 0 C--N 1.353 0.764 0 CA-C-N 123.412 2.254 . . . . 50.0 109.799 168.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -154.81 134.0 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.969 -1.082 . . . . 50.0 112.433 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -145.23 -26.64 0.47 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.501 1.296 . . . . 50.0 114.501 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -163.92 165.62 22.52 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.087 1.355 . . . . 50.0 112.159 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 O-C-N 120.838 -1.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 118.49 -0.767 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.7 m -145.46 14.65 1.43 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.407 1.483 . . . . 0.0 114.388 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.42 101.13 0.2 Allowed Glycine 0 N--CA 1.47 0.953 0 O-C-N 120.903 -1.123 . . . . 50.0 113.861 -171.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -145.11 161.17 43.46 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 126.311 1.845 . . . . 50.0 112.034 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -73.28 -161.88 0.12 Allowed 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 123.415 2.743 . . . . 75.0 109.989 152.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.7 t -152.52 -29.65 0.15 Allowed 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 175.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.0 p -139.95 135.04 32.39 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.96 1.255 . . . . 0.0 113.258 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.18 -36.45 75.35 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.552 1.141 . . . . 50.0 112.832 -171.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.28 -35.93 44.13 Favored Glycine 0 CA--C 1.54 1.614 0 CA-C-N 119.296 0.953 . . . . 50.0 115.078 177.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -71.27 -43.74 66.59 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.342 1.071 . . . . 50.0 111.982 176.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -65.93 -39.77 90.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.194 0.998 . . . . 50.0 112.534 175.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.02 -39.03 71.32 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.333 1.453 . . . . 50.0 112.508 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.88 -42.47 94.79 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.961 -0.462 . . . . 50.0 111.995 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -61.23 -48.04 83.33 Favored 'General case' 0 C--O 1.222 -0.358 0 O-C-N 121.687 -0.633 . . . . 75.0 111.134 172.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.94 -34.64 73.69 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.877 -1.14 . . . . 50.0 113.95 -175.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.4 mtt-85 -66.4 -30.03 70.32 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.069 0.85 . . . . 75.0 112.004 168.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -70.3 -45.77 65.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.741 -0.647 . . . . 50.0 112.67 166.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -55.26 -40.68 71.24 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.781 1.173 . . . . 75.0 113.437 -176.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.99 -42.78 89.37 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.955 1.252 . . . . 50.0 113.037 173.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -68.84 -43.73 74.9 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.46 1.482 . . . . 50.0 112.287 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -65.89 -21.36 66.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.835 1.654 . . . . 50.0 113.809 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.05 -41.52 0.55 Allowed Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.548 1.379 . . . . 75.0 116.548 -163.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.4 p -88.71 159.04 17.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.075 1.437 . . . . 0.0 111.598 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -71.08 -33.23 70.03 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.375 -0.828 . . . . 75.0 112.324 172.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -148.64 117.56 6.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.604 1.562 . . . . 50.0 112.161 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.9 p -72.78 -26.3 61.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.822 1.649 . . . . 50.0 114.554 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.03 5.31 3.44 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -168.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -97.01 -19.53 18.69 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.575 -1.328 . . . . 75.0 112.294 170.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -76.4 149.85 36.86 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.977 0.911 . . . . 50.0 111.259 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.68 -30.52 4.16 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.738 1.014 . . . . 75.0 113.738 -174.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -155.86 168.18 28.02 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.458 1.503 . . . . 50.0 111.196 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -136.78 155.32 49.98 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 126.78 2.032 . . . . 50.0 110.625 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.5 p -138.06 125.94 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 124.51 1.124 . . . . 50.0 110.179 172.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mp -106.18 135.42 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.557 1.543 . . . . 50.0 108.97 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.6 mt -116.68 125.64 52.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.288 1.435 . . . . 50.0 108.802 173.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.2 p -118.38 172.38 7.5 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.228 0.611 . . . . 0.0 112.042 -170.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.16 169.26 0.18 Allowed 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.596 -0.69 . . . . 50.0 111.106 160.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 53.87 31.39 13.13 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.44 1.096 . . . . 50.0 112.85 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.6 mttt 66.85 17.09 10.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.358 2.263 . . . . 50.0 114.775 169.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.92 150.81 50.86 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 123.478 0.561 . . . . 50.0 114.163 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -148.95 130.77 15.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.324 2.25 . . . . 50.0 108.561 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -146.53 120.86 9.6 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.781 -1.104 . . . . 50.0 110.89 -173.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.8 t -113.22 134.88 54.37 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 119.963 1.256 . . . . 0.0 112.623 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.7 t -145.36 125.29 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.266 1.426 . . . . 50.0 110.76 -170.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -71.52 140.58 49.97 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.513 -0.742 . . . . 50.0 111.98 170.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.55 -15.92 15.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.44 1.896 . . . . 50.0 113.61 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -70.58 -2.14 13.28 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.474 0.916 . . . . 50.0 113.474 171.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 p -138.24 152.9 72.5 Favored Pre-proline 0 C--O 1.24 0.591 0 C-N-CA 127.878 2.471 . . . . 0.0 109.272 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.32 150.01 77.37 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.715 2.277 . . . . 50.0 110.89 161.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -70.45 143.74 51.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.631 -0.668 . . . . 50.0 111.312 171.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.06 155.25 24.53 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -50.25 -33.98 21.52 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.436 1.643 . . . . 50.0 115.436 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -69.92 -39.32 76.23 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.81 -1.181 . . . . 50.0 111.665 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -78.66 -25.58 44.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.771 1.629 . . . . 50.0 113.306 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -54.94 -22.83 16.33 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.79 0.836 . . . . 50.0 112.096 166.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -127.89 13.55 6.83 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.402 1.881 . . . . 50.0 113.445 -168.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -76.61 139.12 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.992 -1.068 . . . . 50.0 110.483 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -72.92 149.01 43.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.921 0.888 . . . . 50.0 112.684 -169.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.2 mt -105.25 117.7 34.67 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.004 1.322 . . . . 50.0 112.244 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.82 -31.46 72.44 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.871 1.668 . . . . 50.0 114.0 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.91 169.55 34.66 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.419 1.009 . . . . 75.0 114.755 -172.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -59.27 153.22 19.09 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.868 1.667 . . . . 50.0 111.926 166.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.1 ttp -74.87 69.77 1.89 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.882 1.673 . . . . 50.0 113.085 -172.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -58.64 -42.2 87.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.777 1.028 . . . . 50.0 113.777 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -159.25 153.24 23.38 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.043 -1.036 . . . . 50.0 113.095 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.8 m -135.7 150.14 49.46 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.665 1.186 . . . . 0.0 111.02 172.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -128.4 146.94 50.64 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.283 1.833 . . . . 50.0 110.881 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.02 145.29 39.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.243 1.417 . . . . 50.0 111.949 -173.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -126.58 135.35 51.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.473 1.109 . . . . 50.0 110.748 -164.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -73.21 154.18 40.35 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.834 0.743 . . . . 75.0 111.611 171.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -53.33 111.4 0.69 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.84 1.256 . . . . 50.0 113.219 -173.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.82 -15.95 47.81 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 126.66 2.076 . . . . 50.0 115.569 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.41 163.22 21.81 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.353 1.576 . . . . 50.0 113.32 -173.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.544 ' HB2' HD21 ' B' ' 23' ' ' ASN . 83.8 p -135.84 21.47 3.3 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.959 1.096 . . . . 75.0 113.959 175.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -139.43 136.78 35.0 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.54 1.936 . . . . 75.0 107.559 164.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.5 p -66.84 160.01 26.95 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 114.422 1.267 . . . . 75.0 114.422 -171.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 t -125.04 -17.65 5.7 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.365 1.466 . . . . 50.0 112.437 173.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -128.64 146.97 50.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.602 0.761 . . . . 50.0 109.998 172.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.54 146.55 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 C-N-CA 124.843 1.257 . . . . 75.0 111.518 -170.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.3 mt -143.97 110.3 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.025 -1.472 . . . . 50.0 107.025 -166.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -76.65 149.85 36.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.926 0.89 . . . . 50.0 108.98 174.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.66 -173.95 26.74 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 114.567 0.587 . . . . 50.0 114.567 -175.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -68.35 125.39 12.83 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.267 2.645 . . . . 50.0 112.169 -174.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.98 -19.94 0.14 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.63 1.11 . . . . 50.0 115.632 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.6 tttt 62.3 -35.04 0.12 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 129.247 3.019 . . . . 75.0 116.416 -174.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -162.91 155.73 19.17 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.242 1.817 . . . . 0.0 109.274 -170.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -81.92 -27.28 33.42 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.37 0.878 . . . . 75.0 113.37 174.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.06 -16.84 63.79 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 117.569 2.433 . . . . 75.0 117.569 -162.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.0 t80 113.91 111.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 1 C-N-CA 131.733 4.013 . . . . 50.0 109.142 -163.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.25 41.26 0.92 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.134 1.373 . . . . 0.0 114.272 -164.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 73.4 t80 . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.708 1.603 . . . . 50.0 111.981 -174.791 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.208 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.2 -8.89 56.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 127.769 2.428 . . . . 0.0 114.585 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.481 ' H ' ' HD2' ' B' ' 9' ' ' PRO . 0.6 OUTLIER -141.01 -36.46 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 126.203 1.801 . . . . 0.0 113.797 162.233 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.481 ' HD2' ' H ' ' B' ' 8' ' ' THR . 62.9 Cg_endo -80.15 77.28 4.13 Favored 'Trans proline' 0 C--N 1.358 1.076 0 CA-C-N 123.348 2.232 . . . . 75.0 113.92 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' B' ' 12' ' ' GLY . 18.3 t0 -143.29 90.07 2.15 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 126.561 1.944 . . . . 50.0 106.647 162.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' B' ' 10' ' ' ASP . . . 72.65 172.54 21.15 Favored Glycine 0 CA--C 1.533 1.164 1 CA-C-N 108.013 -4.176 . . . . 75.0 113.923 160.14 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -151.93 153.51 34.26 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.433 -1.039 . . . . 50.0 111.66 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -147.53 160.19 42.89 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.289 -1.507 . . . . 75.0 111.858 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -132.45 -7.46 3.3 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.692 1.997 . . . . 50.0 114.55 -174.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -121.05 -33.1 3.8 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.388 1.475 . . . . 50.0 112.036 172.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.94 72.88 10.01 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.823 1.297 . . . . 50.0 108.279 160.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -134.57 148.69 50.52 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.495 1.518 . . . . 0.0 110.378 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 60.0 tp -93.1 121.03 34.03 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.298 -1.371 . . . . 50.0 107.298 163.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.86 110.42 19.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 122.271 1.034 . . . . 75.0 109.66 162.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.69 -29.69 70.27 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.289 -0.869 . . . . 50.0 110.451 169.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . 0.544 HD21 ' HB2' ' A' ' 104' ' ' SER . 22.9 m-80 -149.44 -9.52 0.32 Allowed 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 117.112 2.264 . . . . 75.0 117.112 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 9.3 t -135.59 54.41 10.37 Favored Pre-proline 0 N--CA 1.488 1.47 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -160.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -68.18 143.78 60.45 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 122.371 2.048 . . . . 75.0 111.855 166.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -158.69 150.56 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.697 0.799 . . . . 50.0 113.005 -173.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -128.96 174.74 9.24 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.462 1.905 . . . . 50.0 111.748 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -139.81 65.31 1.43 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.013 1.725 . . . . 50.0 110.886 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 O-C-N 120.417 -1.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.7 p -153.66 162.04 41.61 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.315 1.416 . . . . 0.0 113.855 -175.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.19 164.03 23.17 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 115.235 0.854 . . . . 50.0 115.235 170.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.96 148.03 67.3 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.277 1.431 . . . . 50.0 111.848 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -55.79 138.37 81.39 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.577 2.852 . . . . 75.0 116.924 -170.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.2 t -142.87 45.34 1.58 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.639 1.976 . . . . 0.0 110.634 162.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.7 p -119.49 148.01 43.76 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.077 0.951 . . . . 0.0 111.52 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.36 -38.88 85.22 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.461 0.912 . . . . 75.0 113.461 -167.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.52 -27.98 66.5 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 121.662 -0.649 . . . . 50.0 113.59 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -85.97 -25.78 25.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.11 0.964 . . . . 75.0 111.873 174.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 tp -68.1 -42.95 79.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.781 0.833 . . . . 50.0 111.813 163.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.8 -37.46 66.1 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.635 1.174 . . . . 50.0 112.89 174.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.63 -36.82 83.49 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.649 -0.657 . . . . 50.0 112.254 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -63.92 -55.97 18.7 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.638 -0.664 . . . . 50.0 110.353 166.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.9 mt -57.84 -34.32 69.58 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.648 1.351 . . . . 50.0 114.648 -176.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -68.75 -32.47 72.26 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.574 1.149 . . . . 75.0 112.34 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -71.09 -44.52 65.51 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.054 0.843 . . . . 50.0 110.96 169.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CD1' ' CE2' ' B' ' 11' ' ' TYS . 2.3 m-30 -60.55 -28.11 68.19 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.688 1.595 . . . . 75.0 112.007 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.42 -55.7 9.57 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.624 -1.298 . . . . 50.0 113.358 169.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -65.0 -41.13 95.67 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.192 0.906 . . . . 50.0 112.637 -177.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -79.65 -15.53 57.42 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.436 1.494 . . . . 75.0 111.949 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.91 -42.84 2.03 Favored Glycine 0 CA--C 1.527 0.802 0 O-C-N 121.531 -0.731 . . . . 50.0 114.855 -176.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 p -99.57 158.31 15.84 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.97 1.308 . . . . 0.0 111.726 -173.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -68.63 -31.83 71.26 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.697 -0.627 . . . . 50.0 112.59 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -153.02 116.32 4.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.581 1.552 . . . . 50.0 110.621 169.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.4 p -80.47 -17.13 52.58 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.51 1.3 . . . . 50.0 114.51 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.98 -17.45 64.93 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -173.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -70.48 -22.55 62.65 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.213 1.005 . . . . 50.0 112.659 174.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -79.35 142.49 36.0 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.061 0.944 . . . . 50.0 112.495 -176.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -124.52 -34.83 2.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.095 1.358 . . . . 50.0 111.053 -171.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -147.99 174.94 11.4 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 122.295 1.045 . . . . 75.0 113.414 168.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -144.99 162.08 37.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 126.648 1.979 . . . . 50.0 110.861 175.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.0 p -138.0 124.75 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 C-N-CA 124.405 1.082 . . . . 50.0 109.953 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -96.97 123.51 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 124.831 1.252 . . . . 50.0 108.72 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.5 mp -105.98 109.38 21.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.265 1.826 . . . . 75.0 108.638 174.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.9 p -102.83 170.22 8.13 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.56 0.695 . . . . 0.0 110.533 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -56.05 163.75 1.45 Allowed 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.581 -0.699 . . . . 50.0 111.747 162.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 59.45 38.47 22.66 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.502 1.297 . . . . 50.0 114.502 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt 70.56 21.08 5.61 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.697 1.999 . . . . 75.0 114.495 170.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.71 135.75 20.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.216 -0.928 . . . . 50.0 112.719 172.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -146.83 111.76 5.37 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.344 2.258 . . . . 50.0 105.96 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -131.34 107.91 9.28 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.946 0.898 . . . . 50.0 110.706 -169.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -85.85 137.34 32.84 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.276 0.63 . . . . 0.0 110.932 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -142.92 118.2 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.303 1.441 . . . . 50.0 109.962 -172.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -82.42 125.78 31.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.49 0.662 . . . . 50.0 110.179 176.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.2 mt -82.68 -19.24 38.52 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.396 1.478 . . . . 50.0 113.023 -174.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -70.05 -5.09 24.25 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.626 1.713 . . . . 75.0 115.626 -175.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.8 p -145.83 156.1 51.88 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.775 1.23 . . . . 0.0 110.487 -171.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.53 163.21 38.11 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.65 3.566 . . . . 75.0 113.122 172.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -106.13 158.01 17.14 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.677 1.732 . . . . 50.0 115.677 -176.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.12 154.67 33.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.842 2.057 . . . . 0.0 113.231 165.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.91 -25.12 63.13 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.095 -1.003 . . . . 50.0 113.323 173.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.0 -42.38 72.42 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.222 1.009 . . . . 50.0 111.538 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -72.76 -39.07 67.09 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.938 1.295 . . . . 50.0 111.62 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.89 -14.4 8.95 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 114.071 1.137 . . . . 50.0 114.071 170.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -122.65 -13.45 7.94 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.557 1.143 . . . . 50.0 113.942 -169.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.3 128.67 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.757 1.162 . . . . 50.0 110.189 -176.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.63 121.11 18.21 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.358 0.599 . . . . 50.0 111.156 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.61 140.51 58.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.143 0.577 . . . . 50.0 109.79 168.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.22 -22.73 66.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.689 1.196 . . . . 50.0 113.718 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.12 -172.14 37.02 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.863 1.221 . . . . 50.0 112.881 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -68.56 148.86 49.92 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.143 1.377 . . . . 50.0 113.297 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 30.4 ttp -68.52 66.68 0.12 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.981 2.113 . . . . 50.0 114.81 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -48.85 -48.69 41.67 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.95 1.3 . . . . 50.0 114.021 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -149.35 161.63 41.67 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.334 1.054 . . . . 75.0 113.293 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.7 m -135.53 141.8 45.29 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.456 1.103 . . . . 0.0 110.147 160.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -118.52 142.5 47.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.153 1.781 . . . . 75.0 109.68 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -132.28 145.88 51.6 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.299 1.44 . . . . 50.0 112.131 -168.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -134.56 127.45 31.32 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 125.425 1.49 . . . . 50.0 109.552 -164.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 168.36 8.28 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.358 0.599 . . . . 50.0 111.963 173.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -46.33 107.98 0.12 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.73 1.612 . . . . 50.0 111.378 163.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.52 47.93 5.8 Favored Glycine 0 CA--C 1.543 1.788 0 N-CA-C 116.358 1.303 . . . . 50.0 116.358 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -128.98 163.6 24.99 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.498 1.649 . . . . 50.0 114.053 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.1 t -149.75 22.96 0.89 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.601 1.96 . . . . 75.0 112.617 174.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -151.72 133.71 15.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.859 1.663 . . . . 75.0 107.156 163.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.9 p -59.31 158.3 9.49 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 122.482 1.134 . . . . 75.0 114.024 -170.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.1 m -124.29 -14.97 6.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 113.53 -1.668 . . . . 50.0 112.556 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -142.24 144.63 33.42 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.053 1.741 . . . . 50.0 108.588 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.76 155.55 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.889 1.276 . . . . 75.0 111.712 -175.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -138.28 129.41 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 123.8 0.84 . . . . 50.0 108.87 -172.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -89.27 138.3 31.55 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 123.964 0.906 . . . . 50.0 109.476 174.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.4 -175.22 16.3 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 123.332 0.491 . . . . 50.0 113.555 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -67.43 124.82 12.52 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.951 2.434 . . . . 50.0 110.929 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 147.01 162.97 10.23 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 126.652 2.073 . . . . 50.0 109.833 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -141.6 -32.54 0.53 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.038 1.125 . . . . 75.0 114.038 -166.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -143.7 116.8 8.92 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.461 1.124 . . . . 0.0 113.554 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -70.28 -3.64 18.14 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.701 -1.25 . . . . 75.0 112.485 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -100.12 12.93 35.78 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.179 1.392 . . . . 50.0 113.234 -161.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.255 12.1 t80 75.19 101.69 0.07 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 127.957 2.503 . . . . 50.0 113.081 -176.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.44 77.94 0.27 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.3 1.84 . . . . 0.0 111.407 171.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--O 1.251 1.166 0 C-N-CA 126.225 1.81 . . . . 50.0 113.148 176.417 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.291 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.4 t -155.4 146.06 22.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.194 1.397 . . . . 0.0 112.735 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.6 m -153.11 140.33 13.08 Favored Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 126.825 2.05 . . . . 0.0 111.055 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.7 177.41 0.07 OUTLIER 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 125.119 3.879 . . . . 75.0 116.301 168.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -75.71 99.29 4.33 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.001 -1.062 . . . . 50.0 112.227 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . 0.439 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.58 -174.47 10.74 Favored Glycine 0 N--CA 1.439 -1.119 1 CA-C-N 104.75 -5.659 . . . . 50.0 118.451 161.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 p-80 -156.65 149.61 23.93 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 124.812 1.245 . . . . 50.0 111.441 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.72 172.04 8.75 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.305 -1.497 . . . . 50.0 114.622 -163.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -135.56 -22.82 1.46 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.266 1.426 . . . . 50.0 114.023 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -136.08 -26.85 1.14 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.763 1.225 . . . . 50.0 114.098 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.93 -14.5 61.94 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.754 1.02 . . . . 50.0 113.754 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -43.35 149.56 0.24 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.7 tp -94.44 112.32 24.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.772 -1.104 . . . . 50.0 108.162 160.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.9 132.46 45.27 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.809 1.644 . . . . 75.0 111.598 160.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mp -106.84 6.92 29.88 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.281 2.232 . . . . 50.0 113.986 -173.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -144.79 -34.24 0.36 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.343 1.979 . . . . 75.0 116.343 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -166.0 146.76 5.61 Favored Pre-proline 0 N--CA 1.478 0.969 0 CA-C-N 120.025 1.284 . . . . 0.0 109.817 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.08 173.51 14.31 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 123.352 2.701 . . . . 75.0 113.98 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.9 t -44.54 132.79 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.713 1.605 . . . . 50.0 111.369 165.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -134.51 -29.44 1.2 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.99 1.316 . . . . 50.0 114.212 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -158.01 126.46 5.49 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.498 1.119 . . . . 50.0 111.075 -164.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.582 0 O-C-N 121.043 -1.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.4 m -151.57 -25.04 0.2 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.53 167.89 40.37 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 121.082 -1.011 . . . . 50.0 114.522 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.8 mt -146.94 141.92 16.51 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.679 1.592 . . . . 50.0 110.864 -169.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -58.46 -19.49 44.23 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 122.47 2.113 . . . . 50.0 112.19 156.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . 0.328 0.6 OUTLIER 57.09 -7.73 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 131.396 3.878 . . . . 0.0 117.597 174.809 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -138.83 140.08 38.4 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.316 0.962 . . . . 0.0 111.706 160.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -34.34 69.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.791 0.836 . . . . 50.0 112.389 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -48.28 -35.12 14.13 Favored Glycine 0 CA--C 1.536 1.373 0 N-CA-C 115.714 1.046 . . . . 50.0 115.714 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -83.29 -36.7 24.28 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.27 1.035 . . . . 50.0 112.62 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.54 -39.7 81.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.295 0.638 . . . . 50.0 112.39 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.19 -41.71 68.86 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.457 1.103 . . . . 50.0 111.833 172.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.93 -28.65 67.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.468 1.107 . . . . 50.0 112.895 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -71.6 -55.86 6.97 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.575 -0.703 . . . . 50.0 110.725 166.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -66.65 -39.82 88.39 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.5 1.296 . . . . 50.0 114.5 -168.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -63.17 -33.91 76.48 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.317 0.962 . . . . 50.0 111.39 175.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -74.04 -39.73 63.34 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.841 -0.599 . . . . 50.0 112.057 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.14 -31.38 70.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.519 1.054 . . . . 75.0 113.217 172.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -48.32 81.82 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.833 -1.167 . . . . 50.0 112.897 171.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -65.42 -38.16 89.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.369 0.668 . . . . 50.0 112.394 176.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -75.48 -29.42 59.57 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.587 1.555 . . . . 75.0 114.611 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.24 -13.77 14.64 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 118.974 0.807 . . . . 75.0 115.098 -172.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.7 p -100.56 165.77 11.25 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.925 1.363 . . . . 0.0 112.383 169.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -71.61 -36.56 70.84 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.624 -0.673 . . . . 50.0 111.118 168.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -149.03 116.37 6.13 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.453 1.501 . . . . 50.0 112.746 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -75.91 -20.29 58.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.319 1.448 . . . . 50.0 114.152 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.21 -11.67 61.06 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -169.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -81.03 -12.41 59.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 75.0 113.486 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 84.3 m-85 -85.13 146.18 27.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.162 0.985 . . . . 50.0 112.707 -174.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -128.2 -27.5 2.7 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.005 1.322 . . . . 50.0 111.905 -166.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -153.33 171.63 18.29 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.709 0.803 . . . . 50.0 112.952 168.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -146.93 156.97 43.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.635 1.974 . . . . 50.0 111.632 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.51 143.23 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.023 1.329 . . . . 50.0 110.358 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -128.44 128.26 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.725 1.21 . . . . 50.0 108.572 -160.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.2 mt -118.58 128.0 54.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.387 1.075 . . . . 50.0 109.821 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -119.11 175.6 5.7 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.327 0.651 . . . . 0.0 112.549 -173.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -52.64 164.1 0.39 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 109.409 -0.589 . . . . 50.0 109.409 160.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 57.68 31.85 21.01 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.288 1.035 . . . . 50.0 113.242 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 55.37 28.54 11.61 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.908 2.883 . . . . 50.0 115.407 174.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.56 140.3 34.9 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 117.807 0.276 . . . . 50.0 112.884 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -137.9 130.08 28.98 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.811 2.044 . . . . 50.0 108.976 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -143.16 142.53 31.49 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.679 1.191 . . . . 50.0 109.904 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.7 t -132.74 142.42 49.02 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.459 1.027 . . . . 0.0 112.359 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -144.21 123.88 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.178 1.391 . . . . 50.0 110.288 -168.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -75.22 140.35 43.19 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.231 1.015 . . . . 50.0 111.296 170.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.3 mt -95.11 0.37 54.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.687 1.595 . . . . 50.0 112.199 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -66.13 -17.73 64.9 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.157 0.983 . . . . 75.0 113.553 169.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -152.09 153.86 31.76 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 127.348 2.259 . . . . 0.0 109.745 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.45 153.0 79.34 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.197 3.264 . . . . 75.0 112.074 168.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.11 134.62 32.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.778 1.631 . . . . 75.0 113.613 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.67 150.66 48.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.767 1.227 . . . . 0.0 112.191 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -65.13 -35.47 81.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.786 -1.196 . . . . 50.0 113.239 -171.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.36 -10.03 56.09 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.67 -1.268 . . . . 50.0 112.899 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -109.71 -25.72 10.24 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.13 1.772 . . . . 50.0 112.697 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -54.93 -26.08 33.75 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.666 -1.271 . . . . 50.0 111.965 160.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -112.55 8.2 19.15 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.081 1.752 . . . . 50.0 115.012 -176.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.7 p -84.37 139.97 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 121.559 1.982 . . . . 50.0 111.879 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -60.01 154.29 19.42 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.871 1.268 . . . . 50.0 113.187 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.7 mt -113.12 129.18 56.59 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.846 1.258 . . . . 50.0 110.715 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.8 mt -72.81 -31.95 65.19 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.037 0.935 . . . . 50.0 113.422 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -160.13 176.84 36.78 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.19 0.9 . . . . 75.0 114.54 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -66.32 157.61 31.25 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.992 1.717 . . . . 50.0 112.435 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 ttp -70.58 64.39 0.29 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.562 2.745 . . . . 50.0 113.79 -172.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -61.71 -38.79 89.16 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.423 -1.423 . . . . 50.0 114.398 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.2 152.42 30.34 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.025 0.93 . . . . 75.0 111.979 -176.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -143.35 144.15 31.96 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.671 -1.268 . . . . 0.0 109.988 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -124.24 153.79 41.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.009 1.323 . . . . 50.0 111.866 175.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -143.2 149.07 37.48 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.747 1.619 . . . . 50.0 111.612 -171.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -136.61 130.63 32.58 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.256 1.422 . . . . 50.0 109.059 -164.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 25.0 mttt -70.01 170.14 11.94 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.421 0.555 . . . . 75.0 111.086 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -53.12 123.02 10.61 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.933 -0.48 . . . . 50.0 111.487 170.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.56 36.87 18.71 Favored Glycine 0 CA--C 1.536 1.386 0 N-CA-C 115.431 0.932 . . . . 50.0 115.431 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -130.17 159.14 37.73 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.668 1.734 . . . . 50.0 113.816 -177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.1 p -144.19 13.48 1.62 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.976 1.71 . . . . 75.0 114.071 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -140.7 138.37 34.19 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.752 1.621 . . . . 75.0 107.468 160.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.4 p -58.51 161.5 4.5 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.787 1.403 . . . . 75.0 114.787 -168.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.6 t -123.28 -19.09 6.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.127 1.371 . . . . 50.0 112.502 170.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -142.25 145.63 34.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 125.196 1.398 . . . . 50.0 109.355 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.78 155.9 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.459 1.504 . . . . 75.0 112.244 -173.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 58.2 mt -133.31 127.69 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 107.801 -1.185 . . . . 50.0 107.801 -176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -91.26 139.59 30.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.775 1.63 . . . . 50.0 108.806 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.0 -178.64 29.49 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 121.371 -0.831 . . . . 50.0 114.614 -175.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -71.21 133.0 22.04 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 123.303 2.669 . . . . 50.0 112.312 -173.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 164.54 -17.18 0.11 Allowed Glycine 0 CA--C 1.538 1.521 0 C-N-CA 126.006 1.765 . . . . 50.0 115.136 175.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.2 tptt 62.77 -22.72 0.05 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.438 2.295 . . . . 75.0 117.04 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -175.47 159.62 2.44 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.789 2.036 . . . . 0.0 109.116 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -81.67 -23.73 36.7 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.208 -0.933 . . . . 75.0 112.167 168.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -86.63 34.25 0.65 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.123 1.769 . . . . 75.0 114.316 -163.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.318 0.9 OUTLIER 63.58 141.24 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 128.932 2.893 . . . . 75.0 113.851 -161.359 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.99 60.19 1.38 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.819 0.847 . . . . 0.0 112.341 -162.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 36.3 t80 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 127.651 2.38 . . . . 75.0 108.9 166.08 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.021 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -143.38 -5.7 0.84 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.37 159.31 42.27 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.511 1.524 . . . . 0.0 111.312 -178.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -46.72 167.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.763 1 C-N-CA 125.518 4.145 . . . . 75.0 117.291 174.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -75.1 98.55 3.71 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.491 1.116 . . . . 50.0 109.832 160.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.34 156.66 8.76 Favored Glycine 0 N--CA 1.435 -1.393 0 CA-C-N 111.27 -2.695 . . . . 50.0 113.517 177.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -146.49 148.82 32.63 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.374 1.083 . . . . 50.0 111.385 -173.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.89 163.83 14.57 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.776 -1.202 . . . . 50.0 113.653 -173.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -144.55 21.28 1.68 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.073 1.349 . . . . 50.0 112.09 168.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -155.43 -11.83 0.11 Allowed 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 116.999 2.222 . . . . 50.0 116.999 -162.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -120.32 -11.82 9.11 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.168 1.387 . . . . 75.0 112.776 178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -44.1 142.27 1.48 Allowed 'General case' 0 C--O 1.238 0.472 0 C-N-CA 127.861 2.464 . . . . 0.0 116.699 -170.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.2 tp -87.92 122.7 31.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.338 -1.301 . . . . 50.0 107.949 164.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -81.78 133.81 35.37 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.191 1.396 . . . . 75.0 111.678 162.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mp -108.24 27.21 9.54 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.196 2.998 . . . . 50.0 112.279 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -137.56 146.17 43.76 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.472 1.509 . . . . 75.0 110.631 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.423 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 3.6 t -178.7 -34.51 0.0 OUTLIER Pre-proline 0 N--CA 1.479 1.025 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -169.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.423 ' CD ' ' H ' ' B' ' 24' ' ' THR . 81.1 Cg_endo -80.84 152.6 19.34 Favored 'Trans proline' 0 C--N 1.352 0.733 0 CA-C-N 122.75 2.018 . . . . 50.0 115.434 -158.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 14.7 p -157.59 139.43 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.108 1.763 . . . . 50.0 110.642 176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -147.92 160.91 42.3 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.636 1.574 . . . . 50.0 110.627 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -141.75 76.44 1.54 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.574 1.55 . . . . 50.0 110.153 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 120.818 -1.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 119.235 -0.412 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 t -131.89 -13.48 3.22 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -170.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.52 -152.25 23.36 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 116.871 1.509 . . . . 50.0 116.871 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.9 mt -146.77 170.64 7.47 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 129.593 3.157 . . . . 50.0 108.428 170.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -61.08 -87.27 0.0 OUTLIER 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 122.685 2.257 . . . . 75.0 110.254 161.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . 0.288 3.5 t 40.96 38.98 0.75 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.326 1.451 . . . . 0.0 113.685 -174.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 p -114.36 147.64 38.85 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.792 1.637 . . . . 0.0 111.049 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -35.47 63.05 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.515 -0.755 . . . . 50.0 112.709 172.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.17 -53.47 46.04 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 119.964 1.256 . . . . 50.0 115.18 174.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -68.46 -39.68 81.35 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 117.954 0.877 . . . . 75.0 111.952 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.61 -46.55 88.63 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.983 0.735 . . . . 50.0 112.983 168.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.64 -41.96 91.66 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.481 1.113 . . . . 50.0 112.209 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -58.76 -42.26 88.51 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.375 0.534 . . . . 50.0 110.635 176.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -62.84 -55.97 21.53 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.437 0.695 . . . . 50.0 111.088 171.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.5 mt -65.18 -39.45 92.9 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.701 1.371 . . . . 50.0 114.701 -172.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -73.06 -22.51 60.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.665 1.12 . . . . 75.0 113.15 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -70.85 -39.71 72.79 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 117.489 -1.243 . . . . 50.0 113.165 162.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -54.4 -42.87 70.92 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.857 1.662 . . . . 75.0 113.651 -175.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.16 -43.13 99.17 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.466 1.03 . . . . 50.0 113.05 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -68.24 -44.22 76.17 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.5 1.045 . . . . 50.0 111.8 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -64.0 -17.86 63.73 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.737 2.015 . . . . 75.0 114.04 172.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.23 -41.01 0.38 Allowed Glycine 0 CA--C 1.536 1.386 0 N-CA-C 116.44 1.336 . . . . 75.0 116.44 -161.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 p -93.78 162.55 13.88 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.766 1.626 . . . . 0.0 111.384 -176.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.51 -33.36 69.16 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.42 -0.8 . . . . 50.0 113.004 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -153.05 89.27 1.36 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.369 2.268 . . . . 75.0 112.771 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -52.41 -29.68 25.49 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.889 2.076 . . . . 50.0 115.793 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.61 -20.47 60.72 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -168.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -70.91 -24.09 62.39 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.405 1.482 . . . . 50.0 113.692 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -73.27 152.05 41.13 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.011 0.924 . . . . 50.0 111.476 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.83 -30.37 2.27 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.062 -1.023 . . . . 75.0 113.514 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -148.56 170.52 17.9 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.464 0.913 . . . . 50.0 113.464 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -138.28 159.9 40.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 126.453 1.901 . . . . 50.0 111.795 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.7 p -145.71 144.56 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.646 1.579 . . . . 50.0 110.325 176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 mt -130.91 131.71 64.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 125.584 1.553 . . . . 50.0 108.014 -167.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.51 116.01 27.46 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.477 1.111 . . . . 50.0 108.348 173.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.0 p -104.25 171.08 7.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.331 0.653 . . . . 0.0 111.098 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.59 162.71 1.54 Allowed 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.317 -0.865 . . . . 50.0 111.39 161.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 63.08 40.46 9.06 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.769 1.227 . . . . 50.0 114.235 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.8 mttt 62.93 24.26 14.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.265 1.826 . . . . 75.0 114.638 170.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.59 138.76 21.44 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 121.68 0.6 . . . . 50.0 113.264 173.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -142.9 123.87 14.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.59 2.356 . . . . 50.0 107.043 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -140.04 143.01 36.16 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.942 0.897 . . . . 50.0 110.086 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t -141.75 144.4 33.99 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.441 1.018 . . . . 0.0 112.648 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.5 t -143.15 133.22 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.174 1.39 . . . . 50.0 109.812 -175.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -78.91 127.95 32.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.83 0.824 . . . . 50.0 110.328 166.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.2 mt -79.58 -9.61 59.65 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.944 1.697 . . . . 50.0 114.287 -172.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -68.03 -9.39 45.45 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.746 1.387 . . . . 75.0 114.746 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.0 p -142.95 147.45 41.48 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 126.076 1.751 . . . . 0.0 110.304 -171.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.94 135.27 58.26 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.239 2.626 . . . . 50.0 110.842 161.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -74.8 158.04 34.13 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.049 1.129 . . . . 50.0 114.049 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.45 151.24 32.77 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.038 1.335 . . . . 0.0 113.507 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.42 -20.53 64.58 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.599 2.074 . . . . 50.0 116.599 -170.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.48 -46.37 80.03 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.343 1.428 . . . . 50.0 110.624 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -71.71 -22.59 61.61 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.34 1.056 . . . . 50.0 112.872 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.91 -21.22 60.81 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.632 0.604 . . . . 50.0 112.632 169.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -128.01 12.21 6.65 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.547 1.539 . . . . 75.0 114.132 -173.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -83.52 131.85 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.637 1.108 . . . . 50.0 109.852 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -78.59 135.8 37.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.654 1.181 . . . . 75.0 112.488 -171.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.3 mt -80.81 131.79 35.43 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.906 1.682 . . . . 50.0 110.542 170.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.02 -25.88 67.22 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.601 1.334 . . . . 50.0 114.601 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.86 -172.72 32.68 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.091 0.853 . . . . 50.0 114.163 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -68.84 152.87 44.74 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.697 1.999 . . . . 50.0 112.798 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 32.9 ttp -69.81 60.13 0.16 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.471 2.308 . . . . 50.0 114.686 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.48 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 15.7 t80 -51.34 -50.86 58.64 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.349 1.059 . . . . 50.0 113.602 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.48 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 15.0 ttpt -156.78 145.43 19.91 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 119.497 1.044 . . . . 75.0 112.953 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.7 m -132.22 150.68 52.1 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.074 1.35 . . . . 0.0 110.555 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -134.51 151.67 51.28 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.029 2.132 . . . . 50.0 111.862 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -145.82 146.05 31.01 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.656 1.183 . . . . 50.0 112.589 -169.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -133.73 136.91 44.93 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.835 1.254 . . . . 50.0 110.945 -163.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 164.04 26.33 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.781 0.719 . . . . 50.0 111.526 174.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -47.67 112.2 0.52 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.793 1.237 . . . . 50.0 112.258 175.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.68 6.21 70.54 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.44 1.495 . . . . 50.0 115.398 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -90.2 164.87 14.25 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.476 1.638 . . . . 50.0 112.984 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.2 p -138.22 -4.07 1.72 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.416 1.886 . . . . 75.0 114.432 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -129.46 139.68 51.53 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.498 1.919 . . . . 75.0 108.329 166.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 t -67.18 156.53 36.0 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.299 0.851 . . . . 75.0 113.299 -170.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.5 t -122.99 -18.68 6.33 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.299 1.84 . . . . 50.0 113.66 173.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -129.06 138.6 51.97 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.346 0.976 . . . . 50.0 109.909 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.12 151.39 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 125.295 1.438 . . . . 50.0 110.808 -172.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.2 mt -144.14 124.48 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 107.694 -1.225 . . . . 50.0 107.694 -170.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -98.4 137.03 37.69 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.026 1.33 . . . . 50.0 109.225 -175.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.34 -176.52 23.43 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.46 0.552 . . . . 50.0 113.649 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.8 136.06 34.54 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.033 2.489 . . . . 75.0 111.772 -173.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 133.92 157.66 8.33 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 127.941 2.686 . . . . 50.0 109.074 -171.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -135.26 -28.31 1.16 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.626 1.713 . . . . 75.0 115.626 -171.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.1 t -146.5 128.11 15.15 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.294 1.406 . . . . 0.0 112.357 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -71.04 -4.79 26.83 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.848 0.684 . . . . 50.0 112.848 172.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -92.28 -15.14 27.84 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 114.543 1.312 . . . . 50.0 114.543 -169.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.6 t80 127.28 138.5 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.009 1 C-N-CA 131.87 4.068 . . . . 75.0 110.362 -174.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.74 121.68 36.91 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.472 1.109 . . . . 0.0 113.266 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 86.4 t80 . . . . . 0 C--O 1.252 1.194 0 C-N-CA 127.203 2.201 . . . . 75.0 109.675 169.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.2 t -139.41 10.86 2.53 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.495 1.118 . . . . 0.0 113.859 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -127.29 -62.28 0.02 OUTLIER Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.109 1.363 . . . . 0.0 113.363 -160.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -69.7 153.32 69.33 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 CA-C-N 122.633 1.976 . . . . 75.0 114.839 -163.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 86.12 92.94 0.03 OUTLIER 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 130.437 3.495 . . . . 50.0 109.382 -163.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.72 173.91 43.78 Favored Glycine 0 N--CA 1.432 -1.593 0 CA-C-N 108.567 -3.924 . . . . 50.0 113.665 171.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -154.1 150.13 27.85 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 122.245 1.021 . . . . 50.0 111.868 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -154.81 157.21 37.57 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.792 -1.193 . . . . 75.0 112.36 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -126.84 -9.95 6.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.94 1.696 . . . . 50.0 114.508 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.84 -20.3 5.04 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.891 1.441 . . . . 50.0 114.891 -175.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -96.39 9.32 41.61 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.768 1.227 . . . . 75.0 112.11 171.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.1 t -57.14 165.7 1.28 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.805 2.042 . . . . 0.0 114.785 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.1 tp -110.07 142.47 41.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.445 1.898 . . . . 50.0 107.028 161.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.7 149.4 26.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 123.605 1.669 . . . . 75.0 112.397 162.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -110.73 -32.31 6.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 112.301 -2.227 . . . . 50.0 112.113 -172.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -172.28 177.53 3.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.051 2.14 . . . . 75.0 109.076 -172.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.42 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 11.0 t -148.78 -20.24 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.018 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 173.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.42 ' CD ' ' H ' ' B' ' 24' ' ' THR . 67.4 Cg_endo -72.53 132.34 18.83 Favored 'Trans proline' 0 C--N 1.355 0.921 0 CA-C-N 124.206 2.538 . . . . 50.0 111.886 -177.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -159.0 137.2 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.343 1.457 . . . . 50.0 110.094 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -71.26 -26.35 62.85 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 120.935 -1.103 . . . . 50.0 113.809 -170.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -155.37 151.53 28.0 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.486 1.914 . . . . 50.0 110.577 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.412 0 O-C-N 121.247 -0.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.8 m -60.99 -29.2 69.54 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 172.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.1 -48.43 0.35 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.296 -1.28 . . . . 50.0 115.255 -164.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -146.97 99.59 3.98 Favored Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 119.128 1.464 . . . . 50.0 112.206 -168.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -85.63 150.83 10.13 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.78 2.986 . . . . 50.0 111.832 171.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t -140.25 29.22 2.02 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 122.422 1.105 . . . . 0.0 112.592 166.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.5 p -139.29 155.5 47.69 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.961 1.704 . . . . 0.0 109.074 163.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.1 mt -57.81 -37.89 74.57 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 118.452 -0.785 . . . . 50.0 111.331 169.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.06 -43.07 62.15 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 119.808 1.185 . . . . 50.0 113.687 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -76.85 -39.08 52.42 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.923 1.289 . . . . 50.0 112.83 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.1 tp -73.09 -42.58 62.83 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.387 0.884 . . . . 50.0 113.387 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -62.37 -41.25 98.47 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.986 1.715 . . . . 50.0 111.105 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.91 -39.32 93.9 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.37 -0.831 . . . . 50.0 111.862 171.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -55.82 -57.28 12.7 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.653 0.781 . . . . 50.0 110.807 170.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.77 -34.36 78.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.096 0.958 . . . . 50.0 113.305 -171.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mtt-85 -64.61 -34.03 77.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.305 0.642 . . . . 75.0 111.874 170.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -72.36 -40.49 67.3 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.478 0.547 . . . . 50.0 112.478 172.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.23 -38.09 73.24 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.241 0.83 . . . . 75.0 113.241 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.33 -50.94 71.63 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.886 -1.134 . . . . 50.0 112.785 172.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -58.71 -42.2 88.12 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.329 0.968 . . . . 50.0 111.976 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -65.02 -32.43 74.15 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 127.488 2.315 . . . . 50.0 114.564 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.05 -27.3 2.28 Favored Glycine 0 CA--C 1.538 1.508 0 N-CA-C 115.612 1.005 . . . . 75.0 115.612 -161.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.8 p -93.33 165.84 12.59 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.625 1.212 . . . . 0.0 113.447 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -73.51 -36.16 65.71 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.685 -0.634 . . . . 75.0 110.51 170.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -149.2 148.96 30.22 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.403 2.281 . . . . 50.0 110.3 171.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -105.64 -19.99 13.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.921 1.688 . . . . 75.0 113.448 176.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.97 -24.59 67.78 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 -168.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.7 pm0 -79.72 -17.94 52.4 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.018 1.727 . . . . 50.0 112.773 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -73.65 153.67 40.04 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 122.128 0.966 . . . . 50.0 111.407 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -131.3 -40.67 1.12 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.598 1.559 . . . . 50.0 111.576 -171.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -144.88 171.9 13.78 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.845 0.831 . . . . 50.0 113.189 174.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -136.6 164.0 29.24 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 125.947 1.699 . . . . 50.0 111.138 167.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.5 p -138.1 130.35 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 125.257 1.423 . . . . 50.0 109.408 172.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.3 mt -110.47 131.68 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 125.046 1.338 . . . . 50.0 107.864 -170.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.7 mt -115.34 108.07 16.06 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.287 1.035 . . . . 50.0 109.786 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.1 p -100.59 167.57 10.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.823 0.849 . . . . 0.0 111.853 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -52.63 159.64 1.03 Allowed 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.132 -0.98 . . . . 50.0 111.229 160.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 60.35 42.41 14.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.317 1.047 . . . . 50.0 113.307 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt 63.82 13.19 7.31 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.452 2.301 . . . . 50.0 114.929 166.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.0 126.13 22.98 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.561 0.601 . . . . 50.0 112.077 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -128.81 110.99 12.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.402 1.881 . . . . 50.0 106.498 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -124.17 103.39 8.23 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.237 0.615 . . . . 50.0 110.872 -171.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 m -72.16 138.45 47.65 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.677 0.791 . . . . 0.0 110.208 167.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.5 t -138.71 126.36 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.019 1.327 . . . . 50.0 109.573 171.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -86.3 115.15 23.66 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.952 0.901 . . . . 50.0 110.067 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.87 -23.68 44.73 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.77 1.628 . . . . 50.0 112.645 -174.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -67.94 7.99 0.46 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 126.241 1.817 . . . . 50.0 114.579 175.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.86 142.46 17.9 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 126.985 2.114 . . . . 0.0 110.07 169.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -50.04 144.52 21.83 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 125.206 3.937 . . . . 50.0 113.163 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -55.96 141.19 40.54 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.108 0.781 . . . . 50.0 113.108 -174.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.01 118.48 7.89 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.85 0.46 . . . . 0.0 110.436 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.98 -19.36 61.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.566 1.321 . . . . 50.0 114.566 -171.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -65.18 -24.94 67.51 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.813 1.245 . . . . 75.0 113.3 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -58.76 -23.48 60.11 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.824 1.25 . . . . 50.0 112.592 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.18 -10.22 56.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.457 1.103 . . . . 50.0 113.262 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -126.21 -4.08 6.81 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.123 1.369 . . . . 50.0 113.87 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 p -80.86 146.01 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 120.852 -1.155 . . . . 50.0 110.897 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -77.83 156.41 30.46 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.53 1.132 . . . . 50.0 113.029 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.15 121.37 43.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.636 1.574 . . . . 50.0 109.414 170.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.2 mt -53.11 -30.7 38.0 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.599 1.56 . . . . 50.0 114.164 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.07 -172.53 35.15 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.576 1.084 . . . . 50.0 113.174 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -63.82 148.31 49.63 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.079 1.752 . . . . 50.0 114.223 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttt -66.68 64.48 0.05 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 128.327 2.651 . . . . 50.0 113.735 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -58.29 -49.02 78.63 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.412 -1.43 . . . . 50.0 113.26 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -156.88 158.65 37.1 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.78 0.659 . . . . 75.0 112.78 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.3 m -141.0 148.18 39.89 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.606 1.562 . . . . 0.0 110.515 171.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -126.09 151.17 47.55 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.552 1.541 . . . . 50.0 111.847 174.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -132.18 151.22 51.91 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.032 1.333 . . . . 50.0 112.197 -170.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -140.48 130.89 25.27 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.148 0.979 . . . . 50.0 110.377 -166.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.33 176.99 8.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.039 1.336 . . . . 50.0 109.789 169.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -49.06 119.9 3.57 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.679 0.622 . . . . 50.0 112.679 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.94 1.74 49.15 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 118.24 2.056 . . . . 50.0 118.24 172.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -64.93 160.1 21.39 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 120.876 2.338 . . . . 50.0 114.538 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 63.5 p -129.62 6.54 5.19 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.923 1.689 . . . . 75.0 114.348 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -140.34 136.52 33.28 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.749 -1.22 . . . . 75.0 109.568 161.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 t -70.22 157.39 37.75 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.385 0.883 . . . . 50.0 113.385 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -130.63 7.06 4.81 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.449 2.299 . . . . 50.0 112.596 167.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -143.15 132.98 23.98 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.587 1.54 . . . . 50.0 111.144 170.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -147.97 153.01 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.607 0 C-N-CA 123.999 0.92 . . . . 75.0 111.626 -169.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.7 mt -142.72 137.91 27.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 124.077 0.951 . . . . 50.0 108.607 -164.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -108.29 156.14 19.71 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.189 1.396 . . . . 75.0 110.965 -170.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.61 -170.77 34.49 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 115.295 0.878 . . . . 50.0 115.295 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -67.16 133.51 30.97 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 123.133 2.555 . . . . 50.0 111.159 -178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 149.27 156.29 7.12 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 127.944 2.688 . . . . 50.0 109.636 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -131.72 -26.3 2.02 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.806 1.039 . . . . 75.0 113.806 -165.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.4 t -156.34 142.18 17.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.395 1.078 . . . . 0.0 110.231 168.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -78.93 -18.37 53.94 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.508 -0.745 . . . . 50.0 111.828 168.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.44 -20.98 66.6 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.329 1.604 . . . . 50.0 115.329 -174.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.324 0.0 OUTLIER 121.84 137.84 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.665 1 C-N-CA 133.099 4.559 . . . . 75.0 111.641 -175.347 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.73 54.99 0.65 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.991 2.117 . . . . 0.0 114.255 -170.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.248 1.419 . . . . 50.0 112.13 -174.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.008 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.6 t -66.22 -15.15 62.94 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 125.432 1.493 . . . . 0.0 114.52 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -148.01 -39.63 0.01 OUTLIER Pre-proline 0 CA--C 1.544 0.72 0 CA-C-O 116.128 -1.891 . . . . 0.0 115.547 166.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -84.76 57.45 5.0 Favored 'Trans proline' 0 C--N 1.355 0.875 0 CA-C-N 124.059 2.485 . . . . 75.0 114.559 -169.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' B' ' 12' ' ' GLY . 0.9 OUTLIER -130.03 80.4 1.95 Allowed 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 127.629 2.372 . . . . 50.0 106.406 165.662 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.492 ' H ' ' C ' ' B' ' 10' ' ' ASP . . . 91.38 166.34 40.27 Favored Glycine 0 N--CA 1.427 -1.923 0 CA-C-N 109.872 -3.331 . . . . 50.0 111.345 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -154.52 148.68 25.9 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 123.471 0.708 . . . . 50.0 112.643 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.29 169.1 17.7 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.595 -1.316 . . . . 50.0 113.357 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -140.89 21.13 2.31 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.148 0.979 . . . . 50.0 113.227 167.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -167.04 -35.7 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.252 1.421 . . . . 50.0 113.325 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -78.79 -8.91 59.21 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.825 1.046 . . . . 75.0 113.825 -173.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.3 t -39.09 166.35 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 131.096 3.758 . . . . 0.0 117.55 172.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 29.2 tp -103.28 117.65 34.98 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.506 1.522 . . . . 50.0 107.461 160.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -78.36 111.92 14.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.938 1.695 . . . . 75.0 110.429 162.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -81.04 -11.39 59.54 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.723 2.409 . . . . 50.0 114.32 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -69.3 4.43 1.71 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.686 1.365 . . . . 75.0 114.686 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 5.8 t -152.26 139.75 12.85 Favored Pre-proline 0 N--CA 1.474 0.74 0 C-N-CA 124.415 1.086 . . . . 0.0 110.829 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -85.46 128.76 3.55 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.851 3.034 . . . . 75.0 111.655 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 p -167.14 150.44 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.15 0.98 . . . . 50.0 111.158 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.75 -15.38 0.42 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.985 1.714 . . . . 50.0 114.101 173.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -143.06 -51.63 0.36 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.324 2.249 . . . . 50.0 110.019 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 121.025 -1.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 118.836 -0.602 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 t -66.43 148.22 52.18 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.662 1.585 . . . . 0.0 113.937 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.53 162.47 22.9 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 115.731 1.052 . . . . 50.0 115.731 167.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.9 mt -147.18 158.1 44.96 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.82 2.048 . . . . 50.0 111.36 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -63.61 -30.98 70.77 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.514 2.143 . . . . 75.0 112.308 168.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . 0.296 1.0 OUTLIER 58.51 -12.02 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 164.365 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 p -131.28 132.83 44.85 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.497 1.499 . . . . 0.0 111.741 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.09 -32.57 73.98 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.303 1.223 . . . . 75.0 114.303 -169.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.82 -40.22 33.65 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 119.085 0.857 . . . . 50.0 114.569 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -65.58 -37.93 88.06 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.18 0.99 . . . . 50.0 113.345 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -72.53 -39.21 67.7 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.16 0.584 . . . . 50.0 111.632 175.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.58 -40.57 75.45 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.355 0.98 . . . . 50.0 112.691 173.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -63.7 -47.06 82.66 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.106 0.562 . . . . 50.0 110.48 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -59.06 -46.07 89.19 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.23 1.012 . . . . 50.0 112.096 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.15 -40.79 78.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.836 1.254 . . . . 50.0 113.6 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -65.06 -26.87 68.43 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.864 -0.589 . . . . 75.0 111.406 173.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.72 -42.57 58.09 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.849 0.685 . . . . 50.0 112.849 167.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.451 ' CD1' ' HE1' ' B' ' 11' ' ' TYS . 4.4 m-85 -57.35 -28.68 63.35 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.379 1.251 . . . . 75.0 114.379 172.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.76 -50.99 64.66 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 120.867 -1.145 . . . . 50.0 113.116 167.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -70.72 -34.98 72.48 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.964 0.727 . . . . 50.0 112.964 -175.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -68.39 -32.81 73.14 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.914 1.286 . . . . 50.0 113.339 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.43 -22.09 5.93 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 116.447 1.339 . . . . 75.0 116.447 -162.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.1 p -105.69 161.95 13.95 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.515 1.126 . . . . 0.0 112.715 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -64.16 -37.26 86.82 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.856 -0.527 . . . . 50.0 111.383 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -157.48 115.01 3.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.824 1.65 . . . . 50.0 112.903 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -61.73 -31.05 71.19 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.794 1.238 . . . . 75.0 114.2 170.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.8 -13.41 62.1 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -164.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -78.09 -19.25 54.56 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.505 1.048 . . . . 50.0 113.003 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -78.95 150.15 32.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.939 0.896 . . . . 50.0 111.209 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -123.85 -29.43 3.68 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.374 0.879 . . . . 75.0 113.374 -176.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -151.04 172.24 16.05 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 122.078 0.942 . . . . 50.0 112.64 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -142.57 157.99 44.13 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.119 1.767 . . . . 50.0 111.13 177.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -139.12 141.99 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.431 1.493 . . . . 50.0 109.306 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.2 mt -128.7 119.82 50.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.303 -1.369 . . . . 50.0 107.303 -164.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -105.87 132.89 51.43 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.419 1.087 . . . . 75.0 108.755 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.2 p -118.58 168.26 10.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.641 0.776 . . . . 0.0 111.178 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.64 171.88 1.41 Allowed 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.681 -0.637 . . . . 50.0 110.389 160.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 56.52 32.74 21.36 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.659 1.183 . . . . 50.0 112.926 -177.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt 63.45 21.69 12.88 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 130.191 3.396 . . . . 50.0 117.538 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.0 152.25 41.87 Favored Glycine 0 CA--C 1.54 1.629 0 N-CA-C 115.746 1.058 . . . . 50.0 115.746 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -142.97 136.74 28.81 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 128.544 2.738 . . . . 50.0 107.286 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -146.03 144.45 30.08 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.95 1.3 . . . . 50.0 109.613 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -134.99 139.29 44.77 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 119.791 1.178 . . . . 0.0 112.965 -178.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.0 t -146.46 126.31 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.689 1.196 . . . . 50.0 111.193 -171.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.05 139.12 52.58 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.849 0.86 . . . . 50.0 112.236 169.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.6 mt -93.83 -14.0 26.64 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.328 2.251 . . . . 50.0 112.864 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -66.56 -12.47 57.92 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.379 -0.826 . . . . 75.0 112.762 170.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.8 p -145.69 146.75 30.41 Favored Pre-proline 0 C--O 1.238 0.461 0 C-N-CA 126.274 1.83 . . . . 0.0 110.489 -166.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.71 144.35 99.53 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.74 2.294 . . . . 50.0 110.879 163.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -68.48 131.24 44.93 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.785 0.72 . . . . 50.0 111.756 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.18 163.07 8.66 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -173.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.76 -34.54 53.53 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 116.145 1.906 . . . . 50.0 116.145 -170.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -78.2 -36.0 47.84 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.884 -1.135 . . . . 50.0 111.831 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.22 -26.85 65.01 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.635 1.574 . . . . 50.0 111.746 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -59.32 -29.59 67.75 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.255 1.022 . . . . 50.0 112.733 170.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -127.67 5.99 6.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.727 1.211 . . . . 50.0 114.081 -164.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.8 p -57.88 141.32 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.754 1.222 . . . . 50.0 110.793 168.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -78.16 127.93 33.01 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.628 1.171 . . . . 50.0 111.313 -167.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.83 120.27 23.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.62 0.768 . . . . 50.0 110.953 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.47 -31.74 69.0 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.649 1.579 . . . . 50.0 114.011 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.88 -175.91 39.22 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.913 1.244 . . . . 50.0 111.695 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -57.16 145.25 31.94 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.784 0.834 . . . . 50.0 111.237 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -57.2 116.69 3.42 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.849 -0.797 . . . . 50.0 108.849 167.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.35 -55.69 3.56 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.73 -0.841 . . . . 50.0 108.73 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -154.44 142.05 19.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.078 0.951 . . . . 75.0 110.948 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.2 m -117.32 146.06 43.6 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.808 1.243 . . . . 0.0 109.194 173.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -128.44 148.09 50.7 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.087 1.755 . . . . 50.0 110.971 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -137.67 140.24 40.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.675 1.19 . . . . 50.0 112.03 -168.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -129.13 130.37 46.35 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.083 1.353 . . . . 50.0 110.821 -165.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -75.43 162.02 28.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.201 0.6 . . . . 75.0 112.222 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -46.72 108.25 0.13 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.438 1.895 . . . . 50.0 112.168 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.14 23.31 41.4 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.982 1.153 . . . . 50.0 115.982 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -120.69 170.79 9.1 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.202 1.501 . . . . 50.0 112.554 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 p -142.59 -4.45 0.97 Allowed 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.922 1.823 . . . . 75.0 115.922 -167.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -130.24 135.99 48.72 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.157 1.783 . . . . 75.0 107.866 167.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.7 p -61.85 166.39 4.52 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.851 1.056 . . . . 75.0 113.851 -168.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.6 t -133.44 -12.79 2.7 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.499 0.926 . . . . 50.0 113.499 170.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -135.14 141.77 46.03 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.131 1.372 . . . . 50.0 108.484 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.94 154.77 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 126.285 1.834 . . . . 50.0 110.845 -172.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.1 mt -148.8 141.78 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 123.808 0.843 . . . . 50.0 108.877 -171.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -99.18 158.0 15.98 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.406 1.482 . . . . 75.0 110.543 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.61 -172.22 12.5 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.307 -0.871 . . . . 50.0 114.203 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -79.9 30.87 0.48 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 123.837 3.025 . . . . 50.0 113.518 -174.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.37 156.94 21.53 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 127.185 2.326 . . . . 75.0 110.961 171.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -129.0 -18.21 3.78 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.588 1.555 . . . . 75.0 113.671 -160.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.7 t -157.32 143.61 17.9 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.086 1.355 . . . . 0.0 109.628 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -70.22 -31.25 68.59 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.351 -0.843 . . . . 75.0 111.536 173.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.31 78.69 3.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.998 1.719 . . . . 50.0 112.192 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.273 91.7 m-85 47.33 49.49 15.52 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.952 1.701 . . . . 50.0 115.328 171.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 49.29 17.31 0.19 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 172.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 28.3 t80 . . . . . 0 C--O 1.256 1.397 0 C-N-CA 124.654 1.182 . . . . 75.0 112.483 175.3 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.166 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -146.25 21.3 1.38 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 128.572 2.749 . . . . 0.0 112.419 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -160.7 158.05 24.27 Favored Pre-proline 0 N--CA 1.48 1.051 0 C-N-CA 124.849 1.26 . . . . 0.0 111.581 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.53 174.39 0.06 OUTLIER 'Trans proline' 0 CA--C 1.543 0.956 1 C-N-CA 126.004 4.469 . . . . 75.0 116.345 166.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -79.28 68.3 5.24 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.387 -1.445 . . . . 75.0 113.214 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . 0.451 ' HE1' ' CD1' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.71 171.02 0.46 Allowed Glycine 0 CA--C 1.536 1.402 1 CA-C-N 106.189 -5.005 . . . . 50.0 116.08 162.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -149.03 144.87 26.99 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.265 -1.138 . . . . 50.0 113.51 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.34 174.7 5.75 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.989 1.478 . . . . 50.0 114.989 -160.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -132.81 -24.06 1.97 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.681 1.592 . . . . 50.0 112.981 168.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.61 -6.69 0.52 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.946 1.462 . . . . 50.0 114.946 178.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -66.31 -21.54 66.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.039 0.936 . . . . 50.0 111.955 172.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.0 t -47.81 153.85 0.57 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 118.508 2.781 . . . . 0.0 118.508 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 55.7 tp -104.38 128.98 52.32 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.462 1.905 . . . . 50.0 107.236 160.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 131.37 34.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 126.062 1.745 . . . . 75.0 110.437 160.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 mp -94.37 -29.52 14.96 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.545 -1.207 . . . . 50.0 112.242 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 173.76 -168.59 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 129.871 3.269 . . . . 75.0 106.614 -168.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 5.4 t -150.99 147.56 20.97 Favored Pre-proline 0 C--N 1.322 -0.599 0 C-N-CA 125.528 1.531 . . . . 0.0 108.366 166.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -69.9 -177.86 2.12 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.633 2.222 . . . . 75.0 112.674 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 p -32.69 136.24 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 127.58 2.352 . . . . 50.0 113.761 167.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -86.28 -13.63 46.09 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.377 -0.827 . . . . 50.0 112.847 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -152.54 115.6 4.64 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 127.447 2.299 . . . . 50.0 110.915 -172.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 120.223 -1.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.9 t -164.96 -58.58 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.507 1.123 . . . . 0.0 112.858 165.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.41 16.02 41.45 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 116.864 1.506 . . . . 50.0 116.864 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.5 mt -56.23 119.83 30.43 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 119.181 1.49 . . . . 50.0 111.286 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -78.28 153.68 27.96 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.84 2.36 . . . . 50.0 113.153 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -163.5 25.16 0.08 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.299 1.44 . . . . 0.0 112.27 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.1 p -139.0 154.8 48.3 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.172 0.989 . . . . 0.0 111.486 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -56.83 -31.69 65.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 118.325 -0.845 . . . . 50.0 112.997 173.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.69 -27.62 13.3 Favored Glycine 0 CA--C 1.538 1.498 0 N-CA-C 115.844 1.098 . . . . 50.0 115.844 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -101.01 -45.15 5.5 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.426 1.113 . . . . 50.0 112.469 173.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.74 -42.1 96.67 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.093 0.775 . . . . 50.0 113.093 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.94 -35.66 73.49 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.459 1.027 . . . . 50.0 112.312 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -72.35 -32.0 66.1 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.708 -0.62 . . . . 50.0 111.925 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -73.99 -38.34 64.16 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.604 -0.685 . . . . 50.0 112.528 168.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.04 -34.11 72.84 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.546 1.521 . . . . 50.0 113.418 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -61.52 -36.98 82.06 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.966 0.803 . . . . 75.0 111.122 165.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.29 -46.14 81.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.07 -0.966 . . . . 50.0 111.687 170.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -56.13 -31.65 63.51 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 120.445 1.475 . . . . 75.0 114.256 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mt -67.45 -51.01 56.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 119.77 1.168 . . . . 50.0 112.921 171.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -69.01 -35.37 76.6 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.887 0.699 . . . . 50.0 112.887 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.401 ' HE2' ' CD2' ' B' ' 11' ' ' TYS . 79.7 tttt -82.73 -17.83 42.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.413 2.285 . . . . 75.0 113.347 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.89 0.94 8.48 Favored Glycine 0 CA--C 1.533 1.205 0 N-CA-C 116.477 1.351 . . . . 75.0 116.477 -172.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -125.83 166.52 16.7 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.513 1.657 . . . . 0.0 113.385 170.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -74.72 -34.49 62.58 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.284 1.034 . . . . 50.0 111.987 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -151.88 117.61 5.42 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.291 1.836 . . . . 50.0 111.045 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.3 p -83.54 -14.95 51.07 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.964 1.468 . . . . 50.0 114.964 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.44 62.65 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -172.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -75.53 -18.92 59.65 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.732 1.213 . . . . 75.0 112.903 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -82.62 150.93 26.56 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.995 0.918 . . . . 50.0 112.096 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -132.55 -34.71 1.17 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.019 0.928 . . . . 50.0 112.556 -166.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -151.26 175.67 11.97 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.801 0.81 . . . . 75.0 112.266 171.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -147.24 164.9 31.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.827 -1.533 . . . . 50.0 112.669 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.3 p -141.91 144.33 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 125.577 1.551 . . . . 50.0 109.403 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.4 mt -129.77 127.8 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 125.418 1.487 . . . . 50.0 107.834 -162.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.3 mt -111.71 123.86 51.12 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.354 1.062 . . . . 50.0 108.411 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.8 p -112.02 167.83 10.08 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 122.034 0.921 . . . . 0.0 111.763 -174.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -50.0 154.63 1.08 Allowed 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.042 -0.981 . . . . 75.0 109.621 160.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 56.25 36.67 27.86 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.975 1.31 . . . . 50.0 114.37 -175.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt 55.74 29.33 13.64 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.57 2.348 . . . . 50.0 115.674 172.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.29 147.95 46.61 Favored Glycine 0 CA--C 1.535 1.307 0 O-C-N 121.317 -0.864 . . . . 50.0 112.971 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -142.39 125.2 16.02 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.571 2.349 . . . . 50.0 108.075 177.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -144.81 144.13 30.99 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.009 1.324 . . . . 50.0 110.405 -173.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.0 t -135.16 140.42 45.37 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.521 1.055 . . . . 0.0 111.963 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.3 t -143.73 145.89 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.445 1.498 . . . . 50.0 108.625 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -91.58 142.74 27.31 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 122.18 0.991 . . . . 50.0 111.486 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.3 mt -87.6 -12.33 45.96 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.289 1.435 . . . . 50.0 111.633 176.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -56.39 -27.71 57.09 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.393 1.477 . . . . 75.0 114.111 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -148.87 163.03 27.44 Favored Pre-proline 0 C--O 1.239 0.546 0 C-N-CA 126.914 2.085 . . . . 0.0 108.687 -169.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -67.76 148.99 78.35 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.942 2.428 . . . . 75.0 110.255 160.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.16 153.18 44.26 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.287 0.847 . . . . 50.0 113.287 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.5 159.53 34.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.416 1.086 . . . . 0.0 113.517 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -51.84 -31.79 29.14 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.799 1.239 . . . . 50.0 114.222 173.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.57 -10.68 59.17 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.365 1.466 . . . . 50.0 113.115 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -120.82 -23.89 5.82 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.786 2.034 . . . . 50.0 112.052 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -56.85 -29.11 62.55 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.731 -1.231 . . . . 50.0 113.207 169.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -122.81 9.43 9.46 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.196 1.398 . . . . 75.0 113.619 -170.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.1 p -70.7 131.11 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.296 0.953 . . . . 50.0 110.572 174.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.0 mp0 -78.03 119.87 22.06 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.659 -0.651 . . . . 50.0 111.686 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.38 137.38 56.84 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.255 1.422 . . . . 50.0 111.67 171.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.38 -23.54 65.59 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.956 1.303 . . . . 50.0 114.134 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.16 -174.08 40.72 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.007 1.289 . . . . 50.0 112.599 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -57.8 145.6 34.43 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.288 1.035 . . . . 50.0 111.804 171.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -55.36 131.54 45.98 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.398 0.679 . . . . 50.0 109.591 166.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -123.96 -34.57 2.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 119.134 -0.46 . . . . 50.0 112.134 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -137.93 153.46 49.5 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.476 1.11 . . . . 75.0 110.561 166.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.3 m -136.47 144.8 44.56 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.218 1.007 . . . . 0.0 109.225 161.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CD2' ' CG1' ' A' ' 109' ' ' VAL . 59.4 m-85 -125.6 137.48 53.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.467 1.907 . . . . 50.0 109.682 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -131.52 144.37 51.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.848 1.259 . . . . 50.0 112.32 -169.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -130.52 132.52 45.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.512 1.525 . . . . 50.0 110.191 -166.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.33 163.98 26.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.764 0.711 . . . . 50.0 111.413 173.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -50.52 106.77 0.13 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.406 1.083 . . . . 50.0 113.127 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.81 -11.05 34.99 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.927 1.727 . . . . 50.0 115.721 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -91.77 157.25 17.01 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.907 1.854 . . . . 50.0 114.897 -167.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.2 m -137.09 23.18 3.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.2 2.2 . . . . 50.0 113.014 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -148.04 140.07 24.08 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.067 1.747 . . . . 75.0 107.575 160.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.6 p -64.28 165.06 10.05 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.837 1.421 . . . . 75.0 114.837 -171.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.8 t -131.73 -10.24 3.52 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.996 1.319 . . . . 50.0 112.725 165.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -140.22 138.63 35.25 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.982 1.313 . . . . 50.0 109.101 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.423 ' CG1' ' CD2' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -154.63 155.4 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.77 1.628 . . . . 50.0 112.585 -167.506 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -151.6 137.37 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.407 0.683 . . . . 50.0 109.379 -167.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -91.85 149.27 21.66 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.139 1.376 . . . . 75.0 110.374 172.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.35 177.95 18.16 Favored Glycine 0 N--CA 1.478 1.471 0 CA-C-O 118.913 -0.937 . . . . 50.0 115.289 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.55 26.34 0.39 Allowed 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 125.198 3.932 . . . . 50.0 116.117 -169.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.86 -165.62 41.45 Favored Glycine 0 CA--C 1.539 1.563 0 N-CA-C 108.352 -1.899 . . . . 50.0 108.352 160.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -138.39 -18.41 1.12 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.848 1.259 . . . . 75.0 112.932 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -166.02 172.98 10.85 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 128.268 2.627 . . . . 0.0 107.977 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -87.42 -31.49 20.03 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.946 -1.096 . . . . 75.0 111.73 161.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -84.16 73.93 10.35 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.075 1.35 . . . . 50.0 112.021 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 50.96 65.64 1.41 Allowed 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 115.61 1.708 . . . . 75.0 115.61 163.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 45.77 23.42 0.16 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 119.249 3.055 . . . . 0.0 119.249 172.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.251 1.146 0 O-C-N 120.816 -1.178 . . . . 50.0 113.388 -178.262 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.7 t -152.67 10.37 0.48 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 116.181 1.919 . . . . 0.0 116.181 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -127.07 -47.62 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.166 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -169.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.46 177.68 0.4 Allowed 'Trans proline' 0 CA--C 1.548 1.224 0 C-N-CA 123.256 2.637 . . . . 75.0 118.145 -170.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -63.94 -50.54 68.26 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 124.022 1.868 . . . . 50.0 116.035 -171.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . 0.401 ' CD2' ' HE2' ' A' ' 51' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.09 170.94 0.01 OUTLIER Glycine 0 CA--C 1.536 1.349 1 CA-C-N 107.069 -4.605 . . . . 50.0 119.09 160.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -149.38 150.97 33.28 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.757 1.223 . . . . 50.0 111.488 167.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.52 162.8 30.91 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.895 1.278 . . . . 50.0 113.667 -170.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -140.37 13.4 2.37 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.163 1.385 . . . . 50.0 112.887 170.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -168.6 -24.63 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.165 1.786 . . . . 50.0 114.148 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.64 -24.35 63.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.247 1.019 . . . . 50.0 113.405 172.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -41.95 157.24 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 131.424 3.89 . . . . 0.0 121.026 -174.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 39.2 tp -102.11 127.0 49.21 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 126.765 2.026 . . . . 50.0 107.858 160.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -91.79 113.8 26.16 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.719 2.408 . . . . 75.0 111.198 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 mp -87.33 -20.39 26.85 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.204 2.201 . . . . 50.0 112.52 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -74.89 171.2 14.46 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.373 1.469 . . . . 75.0 112.0 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.18 -51.25 0.01 OUTLIER Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 126.022 1.729 . . . . 0.0 114.061 -176.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.28 148.38 38.72 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.298 1.999 . . . . 50.0 112.004 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.32 134.72 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.785 1.234 . . . . 50.0 109.91 172.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -64.03 -29.52 70.66 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.205 1.187 . . . . 50.0 114.205 -169.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -139.98 133.95 30.8 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.79 2.036 . . . . 50.0 110.349 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 121.196 -0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 118.68 -0.676 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -152.76 -12.63 0.17 Allowed 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.86 -168.78 29.99 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 116.343 1.297 . . . . 50.0 116.343 166.378 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.7 mt -131.26 149.97 75.17 Favored Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 128.263 2.625 . . . . 50.0 108.501 170.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -75.72 127.85 10.5 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.493 1.462 . . . . 50.0 113.263 -165.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -140.46 26.15 2.17 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.02 1.728 . . . . 0.0 110.173 161.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.0 p -136.7 143.91 43.62 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.752 -1.218 . . . . 0.0 111.538 176.024 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.16 -34.68 78.96 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.533 0.938 . . . . 75.0 113.533 -167.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.25 -44.03 89.28 Favored Glycine 0 N--CA 1.471 0.971 0 CA-C-N 120.219 1.372 . . . . 50.0 114.81 175.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -67.56 -37.93 83.39 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.858 0.863 . . . . 75.0 111.149 176.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.75 -41.97 91.51 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.82 0.674 . . . . 50.0 112.82 174.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.77 -37.67 79.7 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.561 1.144 . . . . 50.0 112.448 174.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -67.99 -39.54 83.24 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.257 1.023 . . . . 50.0 111.469 176.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -65.16 -51.3 61.99 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.179 0.992 . . . . 50.0 112.296 170.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 mt -67.64 -33.47 75.03 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.437 1.273 . . . . 50.0 114.437 -175.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -62.8 -32.22 73.36 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.657 1.117 . . . . 75.0 111.169 169.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -74.48 -38.76 62.81 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.403 0.89 . . . . 50.0 113.403 171.071 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -64.37 -30.13 71.18 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.628 1.104 . . . . 75.0 113.639 172.064 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -49.77 76.21 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.742 -1.224 . . . . 50.0 112.826 173.38 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.19 -46.39 90.67 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.327 0.651 . . . . 50.0 112.292 178.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -76.87 -18.25 58.46 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.655 1.724 . . . . 75.0 115.655 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.16 -6.56 27.69 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 118.756 0.707 . . . . 75.0 114.01 -171.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.7 p -115.98 174.64 5.93 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -79.96 -40.62 27.64 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.894 0.878 . . . . 50.0 110.188 172.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.5 157.62 44.3 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.796 2.438 . . . . 75.0 109.729 168.627 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.9 t -126.21 -9.28 6.45 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.171 1.174 . . . . 50.0 114.171 -175.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.09 -26.35 66.68 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -177.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.7 pm0 -83.45 -9.8 58.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.89 2.076 . . . . 50.0 113.127 -171.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 70.3 m-85 -74.33 155.34 38.29 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.66 1.184 . . . . 50.0 113.038 179.291 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -126.97 -39.92 1.91 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.139 1.376 . . . . 50.0 111.716 -170.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -156.43 175.1 14.47 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.735 1.214 . . . . 75.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -147.68 160.94 42.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.969 -1.469 . . . . 50.0 113.566 177.076 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.2 t -139.14 140.9 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 126.445 1.898 . . . . 75.0 109.97 176.646 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.81 138.62 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 126.028 1.731 . . . . 50.0 108.688 177.409 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.1 mt -119.92 118.81 31.7 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.591 1.156 . . . . 50.0 108.698 169.409 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.9 p -102.48 174.14 6.03 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.754 0.822 . . . . 0.0 112.12 -175.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.34 163.85 0.37 Allowed 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.451 -0.781 . . . . 50.0 110.343 160.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 60.34 32.21 20.63 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.398 1.079 . . . . 50.0 112.823 174.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt 52.0 27.51 4.49 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 129.5 3.12 . . . . 50.0 116.156 179.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.2 145.91 49.97 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.592 -0.693 . . . . 50.0 113.4 172.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -137.1 132.65 34.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 127.516 2.326 . . . . 50.0 108.667 173.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -143.52 144.06 31.81 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.527 1.131 . . . . 50.0 110.493 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 t -135.92 143.07 44.76 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.605 0.762 . . . . 0.0 112.571 177.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.9 t -143.1 135.39 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.865 1.266 . . . . 50.0 108.459 175.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -76.36 153.07 36.1 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.16 0.981 . . . . 50.0 111.239 170.07 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -109.54 -15.35 14.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.656 1.982 . . . . 50.0 112.025 -178.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -58.56 -15.52 11.69 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.172 0.804 . . . . 75.0 113.172 163.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.2 p -148.15 157.5 42.73 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.967 1.707 . . . . 0.0 110.752 -176.374 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -63.25 152.98 77.08 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.713 2.942 . . . . 50.0 112.881 162.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -61.2 151.89 30.25 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.634 1.346 . . . . 50.0 114.634 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.31 156.9 35.1 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 174.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -55.52 -35.63 65.84 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 116.439 2.014 . . . . 50.0 116.439 -166.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -84.79 -25.41 28.2 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 120.774 1.625 . . . . 75.0 112.718 -174.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.2 mtt85 -62.1 -20.73 64.34 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.372 1.069 . . . . 50.0 111.816 168.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -65.14 -27.74 68.93 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.4 -0.813 . . . . 50.0 112.896 176.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -121.85 -7.38 9.0 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.014 1.487 . . . . 50.0 115.014 -167.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.32 126.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 119.035 0.834 . . . . 50.0 111.317 -178.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.61 125.94 28.22 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.392 1.077 . . . . 50.0 111.285 177.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.39 132.06 44.27 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.423 1.489 . . . . 50.0 111.46 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.52 -25.89 66.45 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.021 1.328 . . . . 50.0 113.815 178.001 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.55 -174.95 38.33 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.777 1.18 . . . . 50.0 113.817 177.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -68.66 154.38 42.03 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.241 1.416 . . . . 50.0 113.435 176.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.4 ttp -72.15 68.05 0.7 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.837 2.055 . . . . 50.0 114.901 -173.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -55.15 -44.3 75.0 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.618 -1.302 . . . . 50.0 113.823 178.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -157.44 153.4 27.1 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.907 1.077 . . . . 50.0 113.907 -177.126 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.0 m -137.45 151.01 48.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.362 1.465 . . . . 0.0 110.435 176.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -136.55 140.19 42.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.401 2.28 . . . . 50.0 110.36 -169.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -140.52 150.23 43.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.493 1.117 . . . . 50.0 112.784 -170.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -139.63 131.55 27.72 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.681 1.193 . . . . 50.0 109.544 -164.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -70.87 169.62 14.33 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 118.947 0.794 . . . . 50.0 112.818 171.915 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.45 40.73 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 130.046 3.338 . . . . 50.0 114.555 174.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.87 30.31 0.02 OUTLIER Glycine 0 CA--C 1.536 1.359 0 C-N-CA 127.48 2.467 . . . . 50.0 113.192 -165.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -141.73 151.05 42.58 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.964 1.306 . . . . 50.0 112.513 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.9 p -136.25 9.28 3.21 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.626 1.171 . . . . 75.0 113.173 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -129.55 125.41 36.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.976 1.311 . . . . 75.0 108.425 163.293 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.5 p -62.7 115.16 4.06 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.118 1.155 . . . . 75.0 114.118 -164.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.3 p -72.03 -25.57 61.86 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.978 1.103 . . . . 75.0 113.978 169.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -125.66 141.75 51.86 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.574 1.15 . . . . 50.0 110.069 -176.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.9 m -146.03 161.79 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 126.213 1.805 . . . . 50.0 111.564 -175.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.5 mt -143.38 130.14 17.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.325 -1.361 . . . . 50.0 107.325 176.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -96.72 147.62 23.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.416 0.686 . . . . 75.0 109.343 176.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.77 -174.17 25.28 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 121.79 -0.569 . . . . 50.0 114.512 -171.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -67.55 122.97 10.23 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.003 2.468 . . . . 50.0 111.623 -175.04 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.28 -26.59 0.42 Allowed Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.427 1.489 . . . . 50.0 114.478 174.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? 59.4 -19.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 128.8 2.84 . . . . 75.0 117.688 178.465 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -166.72 154.31 9.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.963 1.256 . . . . 0.0 110.653 177.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -77.83 -29.44 50.56 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.986 -0.446 . . . . 50.0 111.835 167.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -76.48 84.5 3.19 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.25 1.02 . . . . 50.0 111.942 176.194 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 45.33 52.7 8.68 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.907 1.683 . . . . 50.0 115.443 161.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 47.85 31.07 2.12 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 118.422 2.749 . . . . 0.0 118.422 174.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--O 1.253 1.28 0 N-CA-C 114.737 1.384 . . . . 50.0 114.737 178.186 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.5 t -157.74 170.63 21.94 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 9.8 t -165.98 -32.84 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.396 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 -178.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -90.39 179.49 1.88 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 123.316 2.677 . . . . 75.0 112.552 -173.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -70.63 122.62 20.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.245 -0.909 . . . . 75.0 108.843 166.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.79 166.48 32.74 Favored Glycine 0 N--CA 1.439 -1.137 0 CA-C-N 113.624 -1.626 . . . . 50.0 116.143 167.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -155.3 154.55 32.27 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.861 1.264 . . . . 50.0 112.768 174.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.57 166.74 29.34 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.833 -1.167 . . . . 75.0 111.648 -169.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -134.38 2.32 3.25 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.214 1.405 . . . . 50.0 114.313 -174.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -138.37 -39.94 0.52 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.871 1.268 . . . . 50.0 112.81 -170.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.01 12.16 16.28 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.801 1.64 . . . . 75.0 112.223 177.111 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -62.04 157.77 18.07 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.866 2.066 . . . . 0.0 114.337 172.422 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.3 tp -102.69 127.44 49.81 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.155 1.782 . . . . 50.0 108.934 164.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -91.14 105.93 18.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.796 2.039 . . . . 75.0 112.102 172.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -79.25 -28.26 42.43 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.928 1.691 . . . . 50.0 114.582 -176.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -54.17 117.98 3.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.671 1.188 . . . . 75.0 111.542 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.466 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 13.4 t -156.23 -21.83 0.0 OUTLIER Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -166.134 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.466 ' CD ' ' H ' ' B' ' 24' ' ' THR . 68.1 Cg_endo -74.17 131.36 15.24 Favored 'Trans proline' 0 C--N 1.356 0.97 0 CA-C-N 123.309 2.217 . . . . 50.0 111.171 -175.353 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 p -142.1 35.07 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.289 1.436 . . . . 50.0 111.523 -169.081 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -145.42 -51.0 0.25 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.108 1.363 . . . . 50.0 113.708 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -142.87 76.98 1.55 Allowed 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 123.262 1.506 . . . . 50.0 110.825 -178.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 120.459 -1.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 t -141.37 16.86 2.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.269 1.028 . . . . 0.0 113.4 -166.254 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.29 156.36 27.88 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 125.437 1.494 . . . . 50.0 112.054 -173.17 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -144.02 151.73 53.14 Favored Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 125.315 1.446 . . . . 50.0 110.298 177.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -75.5 176.73 9.59 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.908 3.072 . . . . 50.0 113.461 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.0 p -144.59 -8.07 0.66 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.936 1.694 . . . . 0.0 115.077 -176.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.1 p -129.54 151.86 49.69 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.683 1.583 . . . . 0.0 113.979 -173.355 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -30.92 68.79 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.747 -0.66 . . . . 50.0 112.658 -174.772 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.52 -41.45 64.18 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 121.142 -0.974 . . . . 50.0 114.161 176.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -76.39 -37.94 56.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.777 0.831 . . . . 50.0 112.145 175.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.8 tp -68.95 -42.7 76.34 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.727 0.64 . . . . 50.0 112.727 179.182 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.15 -41.94 76.2 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.648 1.179 . . . . 50.0 112.067 172.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.02 -40.4 97.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.734 0.414 . . . . 50.0 111.32 175.308 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -66.15 -43.45 87.0 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.194 -0.942 . . . . 50.0 112.629 172.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.0 mt -69.46 -33.79 73.44 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.003 -1.061 . . . . 50.0 113.197 -178.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -67.29 -35.32 79.23 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.137 0.88 . . . . 75.0 111.124 169.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -64.21 -47.11 80.99 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.456 0.571 . . . . 50.0 111.654 169.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -57.36 -35.16 69.59 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.845 1.054 . . . . 75.0 113.845 174.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.92 -49.74 69.24 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.024 1.284 . . . . 50.0 112.61 174.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -67.8 -40.85 83.86 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.387 0.514 . . . . 50.0 112.387 -178.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -65.17 -41.43 94.65 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.781 0.66 . . . . 75.0 112.781 171.002 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.42 -12.23 39.24 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 116.27 1.268 . . . . 75.0 116.27 -160.29 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.5 p -118.76 154.39 32.87 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.948 1.374 . . . . 0.0 112.008 177.19 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -71.53 -30.52 66.01 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.233 1.013 . . . . 50.0 112.219 177.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -148.97 111.22 4.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.035 1.734 . . . . 50.0 112.073 167.13 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.3 p -71.32 -17.36 62.45 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.533 1.679 . . . . 50.0 115.533 175.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.35 -7.51 53.11 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -169.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -83.86 -17.28 41.42 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.646 1.178 . . . . 75.0 114.063 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.3 m-85 -80.18 154.75 27.78 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.589 0.756 . . . . 50.0 112.628 -174.549 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -122.61 -28.55 4.19 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.776 1.028 . . . . 75.0 113.776 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -157.88 171.28 20.57 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.687 1.595 . . . . 50.0 111.964 177.251 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -145.74 158.37 43.86 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.733 2.013 . . . . 50.0 111.348 175.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.7 p -142.95 138.68 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.104 1.362 . . . . 50.0 109.798 -178.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.1 mt -126.01 128.84 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.686 1.594 . . . . 50.0 108.335 -160.167 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -118.29 118.22 31.21 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.564 1.146 . . . . 50.0 109.617 178.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.6 p -107.97 176.52 5.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.878 0.871 . . . . 0.0 111.934 -175.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.27 172.62 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.092 -1.005 . . . . 50.0 111.379 160.033 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 53.11 31.82 11.99 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.114 1.366 . . . . 50.0 113.504 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 61.3 24.48 14.58 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.694 1.998 . . . . 50.0 113.327 174.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.14 143.13 44.19 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 121.376 -0.827 . . . . 50.0 113.147 175.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -143.77 128.83 18.6 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.797 2.439 . . . . 50.0 107.448 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -144.97 143.52 30.57 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.817 1.247 . . . . 50.0 110.195 -177.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.6 t -128.91 140.1 51.83 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.918 0.887 . . . . 0.0 111.613 -177.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.1 t -143.05 127.8 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.85 1.66 . . . . 50.0 110.404 -172.674 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -77.73 142.8 38.51 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.061 0.934 . . . . 50.0 111.713 170.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.2 mt -107.57 -11.65 15.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.453 1.901 . . . . 50.0 112.69 -178.604 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -66.15 -6.38 13.2 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.124 0.875 . . . . 50.0 113.036 167.246 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.5 p -146.52 154.19 48.39 Favored Pre-proline 0 CA--C 1.541 0.617 0 C-N-CA 127.545 2.338 . . . . 0.0 110.154 -174.132 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -66.53 155.55 69.68 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.761 2.974 . . . . 50.0 112.844 165.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.76 155.87 34.84 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.881 0.872 . . . . 75.0 111.929 168.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.17 161.75 29.38 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.285 1.434 . . . . 0.0 111.19 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.18 -40.46 61.53 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 116.11 1.892 . . . . 50.0 116.11 -163.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -71.28 -12.86 61.67 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.944 -1.097 . . . . 50.0 113.177 -178.355 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -106.23 -31.11 8.8 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.833 2.453 . . . . 50.0 111.096 174.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.24 -45.03 93.48 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.526 1.13 . . . . 50.0 111.438 172.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.3 4.33 10.93 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.266 1.426 . . . . 50.0 114.345 -174.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.32 117.06 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.244 1.418 . . . . 75.0 110.932 -176.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -67.53 124.92 24.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.493 1.117 . . . . 50.0 111.037 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.17 124.4 28.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.754 1.621 . . . . 50.0 111.313 179.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.18 -22.59 66.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.058 1.743 . . . . 50.0 114.87 179.038 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.17 -170.64 37.02 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.339 0.971 . . . . 50.0 115.521 175.497 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.67 152.47 22.42 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.346 1.858 . . . . 50.0 113.04 173.041 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 22.0 ttp -74.23 62.73 0.96 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.465 2.706 . . . . 50.0 114.073 -171.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -60.82 -40.0 91.1 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.698 -1.251 . . . . 50.0 114.026 -173.354 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -153.46 146.57 24.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.453 0.701 . . . . 75.0 112.1 -176.064 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 m -138.6 146.02 41.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.921 1.288 . . . . 0.0 110.372 167.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -123.78 145.05 49.32 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.57 1.948 . . . . 50.0 111.707 179.078 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -137.4 145.1 42.81 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.719 1.608 . . . . 50.0 112.613 -172.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -133.28 134.97 44.59 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.54 1.536 . . . . 50.0 110.593 -165.008 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -76.49 158.26 31.43 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.455 1.025 . . . . 50.0 111.822 176.865 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -46.72 112.93 0.57 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.468 1.507 . . . . 50.0 111.485 174.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.63 -8.37 61.82 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.307 1.432 . . . . 50.0 116.123 179.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -89.72 176.3 6.91 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.322 1.561 . . . . 50.0 112.839 -177.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.0 p -148.8 13.05 0.9 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.874 1.435 . . . . 75.0 114.874 171.043 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -131.42 138.37 49.05 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.324 -1.485 . . . . 75.0 108.132 164.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 p -63.82 160.63 16.97 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.974 1.101 . . . . 75.0 113.974 -169.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 t -130.98 -22.82 2.54 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.37 1.468 . . . . 50.0 112.633 174.36 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -124.68 144.0 50.45 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.338 1.055 . . . . 50.0 108.692 176.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.1 m -149.02 153.63 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 125.611 1.564 . . . . 50.0 111.519 -172.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -142.71 134.02 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.644 -0.873 . . . . 50.0 108.644 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -109.16 151.11 26.9 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.197 0.999 . . . . 75.0 109.363 -175.014 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.81 -167.86 21.0 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.383 -0.823 . . . . 50.0 114.682 -177.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.6 144.4 89.75 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 122.353 2.035 . . . . 50.0 110.583 -177.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.0 -26.58 1.01 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.685 2.088 . . . . 50.0 113.45 170.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 60.27 -22.55 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 129.971 3.309 . . . . 75.0 116.76 -174.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.1 t -165.64 152.03 9.73 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.714 1.606 . . . . 0.0 109.49 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -75.58 -27.37 58.53 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.834 -0.542 . . . . 50.0 112.39 165.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -81.38 28.85 0.37 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.605 1.962 . . . . 50.0 114.159 -166.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 66.2 t80 61.47 137.06 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.159 2.584 . . . . 50.0 114.218 -168.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.68 52.02 2.28 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -163.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 61.4 t80 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.786 1.235 . . . . 50.0 113.262 175.959 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.3 t -150.0 153.53 36.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.054 1.342 . . . . 0.0 112.294 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.464 ' H ' ' CD ' ' B' ' 9' ' ' PRO . 3.6 t -145.4 -22.32 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.953 0 N-CA-C 118.213 2.672 . . . . 0.0 118.213 175.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.464 ' CD ' ' H ' ' B' ' 8' ' ' THR . 56.3 Cg_endo -82.3 74.2 5.26 Favored 'Trans proline' 0 C--N 1.353 0.792 0 CA-C-N 124.229 2.546 . . . . 75.0 113.931 -168.112 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -139.62 71.46 1.38 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.92 2.088 . . . . 50.0 107.943 168.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.81 166.36 1.83 Allowed Glycine 0 N--CA 1.434 -1.496 1 CA-C-N 105.062 -5.517 . . . . 50.0 114.162 160.14 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -158.73 154.15 25.83 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.944 0.878 . . . . 50.0 110.529 169.545 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -148.31 164.11 35.01 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 119.726 -1.859 . . . . 75.0 108.742 -173.17 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -136.99 -21.37 1.22 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.941 1.296 . . . . 50.0 112.464 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -80.57 -49.35 11.42 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 125.229 1.412 . . . . 50.0 111.965 -179.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.42 -13.6 61.1 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.013 1.116 . . . . 50.0 114.013 -176.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -45.39 147.8 0.75 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 -168.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 45.7 tp -93.93 129.05 40.52 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.009 -1.108 . . . . 50.0 108.009 164.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -99.39 102.89 14.62 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.959 2.103 . . . . 75.0 111.268 176.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -76.1 22.77 0.15 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.304 2.641 . . . . 50.0 113.643 177.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -135.97 138.69 42.55 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.319 1.448 . . . . 75.0 110.899 -173.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 10.0 p -143.85 -28.38 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 118.014 2.598 . . . . 0.0 118.014 -167.076 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -84.0 154.63 13.05 Favored 'Trans proline' 0 C--N 1.352 0.736 0 CA-C-N 122.843 2.051 . . . . 75.0 113.924 -170.067 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.58 147.09 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.873 1.269 . . . . 50.0 111.888 -174.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -63.28 -37.2 86.32 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.355 1.062 . . . . 50.0 113.339 -176.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -158.91 149.71 20.0 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.112 2.165 . . . . 50.0 109.953 165.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 120.976 -1.077 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 118.966 -0.54 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 t -158.28 -36.73 0.07 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 170.523 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.02 132.58 2.75 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.349 0.976 . . . . 50.0 112.897 176.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.0 mt -143.11 88.5 8.19 Favored Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 126.649 1.979 . . . . 50.0 106.95 177.006 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.9 122.45 8.15 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.086 1.857 . . . . 50.0 111.843 -158.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.6 t -129.9 20.95 5.43 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.709 1.604 . . . . 0.0 111.075 173.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -133.57 141.41 47.69 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.096 0.958 . . . . 0.0 111.298 175.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -34.48 70.4 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.266 0.627 . . . . 50.0 112.336 -176.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.89 -35.64 40.26 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-O 118.83 -0.983 . . . . 50.0 115.418 175.395 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -84.75 -31.12 24.16 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.863 1.331 . . . . 50.0 112.786 175.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.9 tp -70.62 -42.17 71.27 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.259 0.623 . . . . 50.0 111.929 176.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.42 -41.23 79.99 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.331 1.452 . . . . 50.0 112.293 176.163 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -60.88 -35.96 77.97 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.012 0.925 . . . . 50.0 111.496 175.573 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -50.18 29.67 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 123.077 0.551 . . . . 50.0 111.628 172.119 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.62 -37.57 86.83 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.285 1.217 . . . . 50.0 114.285 -176.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -67.97 -27.76 66.86 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.146 -0.971 . . . . 50.0 112.202 174.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -75.97 -38.42 57.52 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.211 0.819 . . . . 50.0 113.211 167.043 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -59.18 -36.88 76.11 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.388 -0.82 . . . . 75.0 112.108 175.341 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.1 mt -55.87 -39.47 71.56 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.026 1.121 . . . . 50.0 114.026 171.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -71.82 -45.98 59.67 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.466 1.03 . . . . 50.0 112.126 178.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -63.17 -23.46 67.45 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.177 1.391 . . . . 50.0 114.634 171.042 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -116.62 -13.68 7.89 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 115.71 1.044 . . . . 75.0 115.71 -160.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.4 p -130.08 164.14 25.03 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.999 1.4 . . . . 0.0 112.647 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -65.58 -43.38 89.91 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.999 -0.438 . . . . 50.0 111.105 167.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -155.13 105.79 2.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.946 1.298 . . . . 50.0 112.99 -171.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 t -61.9 -24.63 67.07 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.075 1.509 . . . . 75.0 115.075 176.196 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.11 -5.32 17.17 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -167.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -85.49 -19.34 31.37 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.799 -1.188 . . . . 50.0 113.562 174.043 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -84.08 146.4 27.94 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.014 0.825 . . . . 50.0 112.185 -174.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -124.27 -24.19 4.36 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.662 0.986 . . . . 75.0 113.662 -176.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -153.3 172.75 16.55 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.652 0.982 . . . . 50.0 113.652 167.202 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -145.43 161.02 40.69 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 127.118 2.167 . . . . 50.0 112.015 177.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.2 p -141.53 121.51 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 124.914 1.286 . . . . 50.0 111.449 179.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.69 133.65 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.3 1.44 . . . . 50.0 109.063 -178.081 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.12 122.14 42.33 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.846 1.258 . . . . 50.0 109.994 173.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.0 p -111.41 174.45 5.86 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.057 0.943 . . . . 0.0 112.789 -172.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -52.41 166.07 0.21 Allowed 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.252 -0.905 . . . . 50.0 110.614 160.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.81 36.29 26.12 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.518 1.127 . . . . 50.0 113.078 178.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt 60.87 20.21 10.46 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.824 2.049 . . . . 50.0 114.374 171.676 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.02 142.67 45.28 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 121.552 -0.717 . . . . 50.0 112.861 175.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -145.55 126.96 14.95 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.663 2.385 . . . . 50.0 107.284 -178.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -144.03 111.99 6.23 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.748 0.819 . . . . 50.0 111.477 -172.077 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 t -92.85 139.84 30.13 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.787 0.721 . . . . 0.0 111.482 175.381 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.2 t -145.88 134.26 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.152 1.781 . . . . 50.0 109.668 -177.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -85.82 148.12 25.98 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.82 1.295 . . . . 50.0 111.665 178.136 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.2 mt -109.54 -4.12 16.47 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.331 1.853 . . . . 50.0 113.16 -174.568 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -65.65 -28.5 69.14 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.365 0.666 . . . . 75.0 112.432 170.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.3 p -146.01 151.47 45.21 Favored Pre-proline 0 N--CA 1.472 0.637 0 C-N-CA 125.488 1.515 . . . . 0.0 109.988 -179.808 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.67 134.03 60.35 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.524 2.816 . . . . 50.0 112.491 168.21 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -63.67 153.47 36.03 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.893 1.812 . . . . 50.0 115.893 -164.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.96 156.28 31.73 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.404 1.481 . . . . 0.0 114.811 -177.002 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -56.9 -36.3 69.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.088 1.514 . . . . 50.0 115.088 -174.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -37.71 78.8 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.56 1.073 . . . . 50.0 110.819 176.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -73.98 -31.12 62.84 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.644 1.178 . . . . 50.0 111.913 176.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -59.71 -22.17 61.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.181 -0.95 . . . . 50.0 112.883 168.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -124.12 17.73 9.19 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.632 1.573 . . . . 50.0 112.925 -171.007 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.05 136.79 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-N 119.061 0.846 . . . . 50.0 109.078 169.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -86.63 150.76 23.98 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.621 0.724 . . . . 50.0 111.964 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.4 mt -94.73 122.55 37.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.437 1.495 . . . . 50.0 110.744 -173.147 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -60.79 -23.77 65.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.101 1.36 . . . . 50.0 113.846 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.51 -172.75 37.18 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.569 1.08 . . . . 50.0 113.667 175.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -67.74 155.62 38.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.127 1.371 . . . . 50.0 113.628 177.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.8 ttp -74.37 67.94 1.48 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 127.162 2.185 . . . . 50.0 114.296 -171.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.29 -41.63 80.14 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.675 -1.265 . . . . 50.0 113.947 178.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -157.89 157.98 34.2 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.848 1.055 . . . . 50.0 113.848 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.2 m -141.07 146.7 37.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.415 1.486 . . . . 0.0 110.542 169.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.55 146.03 49.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.255 1.822 . . . . 50.0 111.256 179.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -133.69 151.32 51.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.771 1.228 . . . . 50.0 112.901 -171.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -136.68 129.1 30.14 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.026 0.93 . . . . 50.0 110.974 -166.021 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.39 165.1 25.69 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.847 0.684 . . . . 50.0 112.847 179.056 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -60.26 54.48 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 129.067 2.947 . . . . 50.0 116.663 178.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 151.17 24.52 0.05 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.237 1.875 . . . . 50.0 113.564 -177.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -141.45 154.26 45.47 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.317 1.559 . . . . 50.0 111.821 -171.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.9 m -142.92 12.93 1.86 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.32 1.23 . . . . 50.0 114.32 -173.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -125.92 131.16 52.37 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 105.575 -2.009 . . . . 75.0 105.575 159.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.8 t -63.09 155.5 27.69 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.932 0.716 . . . . 50.0 112.932 -172.513 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.0 m -131.14 0.99 4.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.275 1.83 . . . . 50.0 112.732 168.207 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -143.76 132.79 22.87 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.917 1.287 . . . . 50.0 109.642 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.7 m -146.85 162.11 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 125.432 1.493 . . . . 50.0 111.734 -168.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 36.3 mt -143.88 130.44 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 126.053 1.741 . . . . 50.0 106.332 -172.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -111.45 153.36 26.24 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.502 0.592 . . . . 75.0 109.479 177.315 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.04 -167.48 18.23 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 114.154 0.422 . . . . 50.0 114.154 -176.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.79 136.35 25.23 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.953 2.435 . . . . 50.0 111.554 -176.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.27 -17.14 0.21 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 126.545 2.021 . . . . 50.0 114.684 174.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 63.95 -29.7 0.1 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.061 2.544 . . . . 75.0 116.362 -178.073 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -168.15 156.84 9.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.884 1.674 . . . . 0.0 109.778 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -76.55 -30.25 57.02 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.32 -0.863 . . . . 75.0 112.873 165.052 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -88.97 46.27 1.37 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.56 1.544 . . . . 50.0 112.455 -164.237 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.271 6.7 p90 47.97 128.11 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 129.877 3.271 . . . . 75.0 117.225 -170.328 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -77.05 87.45 3.55 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.274 1.43 . . . . 0.0 111.283 177.146 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.3 t80 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.346 1.458 . . . . 50.0 111.702 176.933 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -51.0 152.33 2.24 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.748 1.219 . . . . 0.0 113.229 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 43.3 m -155.37 153.4 26.64 Favored Pre-proline 0 N--CA 1.478 0.961 0 O-C-N 120.641 -1.287 . . . . 0.0 109.828 -176.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.37 156.24 0.14 Allowed 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.29 2.66 . . . . 75.0 113.869 160.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -79.79 95.75 6.1 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 108.793 -0.817 . . . . 50.0 108.793 172.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.85 114.12 0.47 Allowed Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 109.631 -3.44 . . . . 75.0 113.088 -161.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -149.26 152.17 35.48 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 122.451 1.119 . . . . 50.0 112.582 170.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.16 169.98 8.41 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.334 1.235 . . . . 50.0 114.334 -162.421 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.25 21.66 1.89 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.231 1.012 . . . . 50.0 112.456 174.432 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -167.55 -18.13 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 117.466 2.395 . . . . 50.0 117.466 -164.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -105.67 -20.44 13.46 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.965 1.306 . . . . 75.0 113.037 -178.006 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.2 t -36.09 145.93 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 -174.518 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 61.3 tp -92.02 120.68 32.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.605 -1.257 . . . . 50.0 107.605 162.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -78.64 132.85 37.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.971 1.709 . . . . 75.0 110.007 163.251 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 tp -118.0 -5.46 10.99 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.664 2.098 . . . . 50.0 116.664 -164.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.65 -5.96 0.15 Allowed 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 119.455 3.131 . . . . 75.0 119.455 -169.403 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t 32.64 62.09 1.41 Allowed Pre-proline 0 N--CA 1.491 1.61 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 177.452 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.29 166.88 26.84 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 124.653 3.569 . . . . 75.0 114.685 -167.094 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -154.1 154.28 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.975 1.31 . . . . 50.0 111.448 176.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -134.92 -26.37 1.34 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.901 1.68 . . . . 50.0 113.561 171.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -154.4 110.14 3.19 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.564 2.345 . . . . 50.0 108.531 -177.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 O-C-N 120.374 -1.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 m -143.47 28.41 1.48 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.701 1.6 . . . . 0.0 112.873 -175.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.81 38.58 45.75 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.736 1.16 . . . . 50.0 114.7 -179.353 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.86 108.01 12.81 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 118.572 1.186 . . . . 50.0 111.051 -172.586 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -49.43 167.37 0.17 Allowed 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 124.996 3.798 . . . . 50.0 116.076 171.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.8 t -115.59 21.97 13.54 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.736 1.214 . . . . 0.0 113.96 -174.102 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.7 p -132.72 141.7 48.69 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.255 1.022 . . . . 0.0 111.571 176.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.73 -30.12 70.56 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.306 -0.871 . . . . 50.0 113.293 -177.724 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.89 -26.94 55.8 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 120.131 1.332 . . . . 50.0 114.704 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -99.2 -32.23 11.33 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.367 1.467 . . . . 75.0 113.041 176.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -71.96 -44.13 64.06 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.807 0.73 . . . . 50.0 112.588 174.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -62.07 -37.65 85.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.339 1.456 . . . . 50.0 111.69 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -56.91 -45.39 82.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.046 1.338 . . . . 50.0 111.176 170.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -69.61 -46.55 65.99 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.853 0.861 . . . . 75.0 112.172 176.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.6 mt -64.94 -32.3 73.95 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.558 1.143 . . . . 50.0 113.279 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -61.86 -40.26 94.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.676 0.79 . . . . 50.0 110.85 167.273 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.74 -35.43 77.11 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.878 -1.058 . . . . 50.0 113.333 172.482 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -55.44 -38.49 69.1 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 120.52 1.509 . . . . 75.0 113.706 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.74 -46.95 73.81 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 118.3 -0.857 . . . . 50.0 112.5 174.352 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.23 -49.47 77.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.649 1.113 . . . . 75.0 111.385 177.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -64.41 -10.12 22.81 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 127.949 2.5 . . . . 50.0 114.982 175.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -128.53 -41.04 0.28 Allowed Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.367 0.907 . . . . 75.0 115.367 -163.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.2 p -97.61 173.25 7.23 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.464 1.905 . . . . 0.0 112.638 -175.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -75.56 -34.46 60.71 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.931 0.892 . . . . 50.0 112.229 165.205 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -151.73 109.96 3.74 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.771 1.026 . . . . 50.0 113.771 175.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -62.18 -28.43 69.66 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.092 1.357 . . . . 75.0 113.437 171.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.49 -8.88 54.5 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -166.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -84.56 -11.49 55.95 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.81 1.186 . . . . 50.0 112.558 171.14 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.7 m-85 -84.27 154.16 23.14 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.345 1.058 . . . . 50.0 113.03 -179.288 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -140.39 -38.34 0.45 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.79 0.836 . . . . 50.0 112.615 -166.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -149.87 174.89 12.16 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.941 0.896 . . . . 50.0 112.962 175.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -155.34 161.25 41.11 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 125.978 1.711 . . . . 50.0 112.807 -176.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.27 135.96 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.55 1.54 . . . . 50.0 109.977 177.578 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.4 mt -123.38 131.52 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.729 1.612 . . . . 50.0 108.454 -164.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 mt -122.47 135.0 54.57 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.533 1.133 . . . . 50.0 110.045 -179.215 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.5 p -127.31 174.01 9.31 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -167.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -50.35 159.7 0.45 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.183 0.516 . . . . 50.0 109.927 160.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 61.99 35.54 16.04 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.802 1.038 . . . . 50.0 113.802 171.03 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt 62.29 18.55 10.3 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 128.423 2.689 . . . . 50.0 115.204 173.056 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.49 142.34 46.88 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.655 -0.653 . . . . 50.0 113.21 174.156 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -145.92 129.46 16.97 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 128.694 2.798 . . . . 50.0 106.279 174.638 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -142.35 128.45 19.7 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.101 0.961 . . . . 50.0 110.693 -177.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.5 t -101.92 143.19 32.1 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 118.979 0.809 . . . . 0.0 111.799 174.535 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.5 t -143.97 123.06 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.643 1.577 . . . . 50.0 110.82 -179.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -77.18 122.43 25.02 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.338 -0.851 . . . . 50.0 110.133 164.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.0 mt -79.77 -26.87 40.52 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.482 1.513 . . . . 50.0 112.461 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -74.01 18.76 0.13 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.863 1.665 . . . . 50.0 115.044 -169.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.8 p -145.04 157.01 54.77 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 127.07 2.148 . . . . 0.0 109.911 175.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.91 153.01 33.29 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.674 2.916 . . . . 50.0 113.592 167.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.5 tp -56.38 148.06 19.9 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.661 1.984 . . . . 50.0 113.275 178.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.64 140.24 46.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.566 1.146 . . . . 0.0 111.358 175.097 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -65.09 -4.99 5.49 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.568 1.692 . . . . 50.0 115.568 -178.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -58.45 -50.57 73.24 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.735 -1.228 . . . . 50.0 110.518 163.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -67.96 -32.26 72.56 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.285 1.434 . . . . 50.0 111.689 -179.07 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -61.29 -18.1 56.88 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.527 0.936 . . . . 50.0 113.527 176.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -125.91 -14.75 6.07 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.563 1.32 . . . . 50.0 114.563 -169.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.41 134.99 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 119.146 0.885 . . . . 50.0 111.118 174.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.21 125.04 35.34 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.545 0.738 . . . . 50.0 109.949 174.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.82 129.49 40.29 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.504 -0.747 . . . . 75.0 110.766 173.189 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.58 -27.26 48.27 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.312 1.045 . . . . 50.0 113.491 175.081 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -172.42 -176.23 41.02 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 126.116 1.817 . . . . 50.0 113.696 -178.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -69.02 153.55 43.6 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.207 1.403 . . . . 50.0 114.772 -179.243 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.5 ttp -69.8 65.97 0.23 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.113 2.565 . . . . 50.0 115.013 -175.088 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.18 -39.24 85.82 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.383 -1.448 . . . . 50.0 114.47 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -147.19 151.12 36.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.203 1.401 . . . . 75.0 111.971 -178.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.8 m -138.11 151.0 47.37 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.113 1.365 . . . . 0.0 110.044 161.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -130.97 145.2 51.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.821 1.648 . . . . 50.0 110.424 175.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -138.46 145.16 40.53 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.785 1.634 . . . . 50.0 112.302 -164.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -132.44 132.02 42.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.344 1.058 . . . . 50.0 110.269 -164.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 47.0 mttt -69.27 169.4 12.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.908 0.883 . . . . 75.0 112.386 173.23 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -59.04 43.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.213 3.005 . . . . 50.0 117.077 175.321 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.79 41.87 0.02 OUTLIER Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.286 -1.286 . . . . 50.0 114.416 -176.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -138.1 159.61 41.59 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.952 1.464 . . . . 50.0 114.952 -171.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.9 p -138.09 -1.43 1.96 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.081 2.552 . . . . 75.0 113.954 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -139.23 128.35 23.85 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.171 2.189 . . . . 75.0 108.169 166.061 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.5 p -58.59 157.05 9.68 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.586 1.698 . . . . 75.0 115.586 -166.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.0 t -120.65 -17.46 8.02 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.444 1.498 . . . . 50.0 113.682 176.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -127.1 153.52 45.9 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.409 1.083 . . . . 50.0 108.77 170.398 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -159.09 147.57 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 C-N-CA 125.323 1.449 . . . . 75.0 110.569 -171.505 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.3 mt -141.39 124.16 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.621 -0.881 . . . . 50.0 108.621 -167.151 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -84.5 153.62 23.2 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.251 1.02 . . . . 50.0 110.115 176.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.45 -173.28 31.96 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-O 119.625 -0.542 . . . . 50.0 113.886 174.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.02 140.1 34.05 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.106 2.537 . . . . 50.0 110.535 -177.343 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 150.16 -21.23 1.1 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 126.794 2.14 . . . . 50.0 113.929 176.129 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 59.91 -34.75 0.07 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 128.763 2.825 . . . . 75.0 118.161 175.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.2 t -160.12 146.67 15.87 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 120.871 1.669 . . . . 0.0 109.287 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -76.27 -18.82 58.8 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.662 -0.649 . . . . 75.0 112.552 172.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -84.12 45.83 1.14 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.355 1.862 . . . . 50.0 114.062 -161.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 66.46 96.63 0.05 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.593 1.957 . . . . 50.0 114.699 178.74 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.06 13.57 2.86 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -175.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--O 1.25 1.117 0 C-N-CA 125.061 1.344 . . . . 50.0 112.02 179.143 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -75.25 34.13 0.11 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.505 1.122 . . . . 0.0 113.916 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 47.3 m -80.37 -45.0 1.38 Allowed Pre-proline 0 N--CA 1.478 0.958 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -170.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -61.01 169.29 6.14 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 122.821 2.347 . . . . 75.0 113.673 175.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.12 24.0 1.17 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.668 2.099 . . . . 50.0 116.668 -170.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.83 171.68 7.2 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-N 108.723 -3.853 . . . . 50.0 115.232 168.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -153.9 151.05 29.02 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.124 -1.221 . . . . 50.0 113.248 175.457 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -138.04 177.12 8.12 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 120.317 -1.489 . . . . 75.0 111.354 172.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -136.76 -4.56 1.99 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.127 2.171 . . . . 50.0 113.451 -178.644 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -31.59 0.54 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.237 1.199 . . . . 50.0 114.237 -179.278 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.39 81.67 5.63 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.053 0.93 . . . . 50.0 109.257 162.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -138.77 154.54 48.52 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.437 1.095 . . . . 0.0 111.799 -177.094 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.36 113.59 27.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 105.378 -2.082 . . . . 50.0 105.378 172.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -86.62 134.49 33.62 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 125.366 1.466 . . . . 75.0 111.283 169.299 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -97.56 -5.05 36.53 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 115.091 1.515 . . . . 50.0 115.091 -166.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -149.35 -77.2 0.15 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.748 1.158 . . . . 50.0 113.082 -168.213 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' THR . . . . . 0.401 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 4.1 t -162.95 0.4 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.394 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -168.309 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . 0.401 ' CD ' ' H ' ' B' ' 24' ' ' THR . 27.2 Cg_endo -61.0 146.62 97.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 CA-C-N 123.089 2.139 . . . . 50.0 115.985 -151.58 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -157.6 168.02 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.17 1.388 . . . . 50.0 111.271 -168.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -121.29 19.49 11.41 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.118 1.367 . . . . 50.0 112.844 178.583 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -152.22 114.23 4.43 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.505 2.322 . . . . 50.0 110.006 176.357 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 m -147.76 22.85 1.12 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -169.143 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.23 169.17 20.2 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.592 1.567 . . . . 50.0 116.726 171.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.8 mt -132.22 82.6 57.96 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.604 1.562 . . . . 50.0 111.585 -177.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -83.6 174.37 8.81 Favored 'Trans proline' 0 CA--C 1.541 0.873 1 C-N-CA 125.354 4.036 . . . . 50.0 112.028 178.551 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -138.84 2.02 2.13 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.775 1.23 . . . . 0.0 114.088 167.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.5 p -136.39 143.2 43.88 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.796 1.638 . . . . 0.0 110.544 173.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.64 -25.92 68.37 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.946 1.091 . . . . 50.0 113.946 176.56 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.54 -34.62 43.18 Favored Glycine 0 N--CA 1.472 1.092 0 CA-C-N 120.378 1.445 . . . . 50.0 115.357 172.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -87.92 -43.81 11.51 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.033 0.917 . . . . 50.0 112.01 175.708 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.95 -49.38 58.48 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.821 1.045 . . . . 50.0 113.821 -178.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.03 -41.74 99.61 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.913 0.779 . . . . 50.0 110.381 -177.41 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -58.73 -37.15 75.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.965 0.906 . . . . 50.0 112.655 173.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 mtm105 -67.67 -56.17 10.38 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.174 -0.917 . . . . 75.0 111.203 169.555 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.52 -37.62 78.82 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.59 1.541 . . . . 50.0 113.351 -174.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.0 ttm-85 -64.91 -33.03 75.06 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.086 2.154 . . . . 50.0 112.359 175.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -75.88 -40.63 54.15 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.138 0.975 . . . . 50.0 113.221 164.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -59.15 -39.62 83.02 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 124.295 1.038 . . . . 75.0 112.774 -172.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -41.59 84.76 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.318 0.859 . . . . 50.0 113.318 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -70.71 -46.38 63.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.232 1.013 . . . . 50.0 112.335 177.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -69.83 -16.78 63.33 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.512 1.301 . . . . 75.0 114.512 173.497 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.03 -22.13 7.73 Favored Glycine 0 CA--C 1.535 1.329 0 CA-C-O 119.113 -0.826 . . . . 50.0 114.248 -168.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.8 p -116.94 167.45 11.12 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.941 1.371 . . . . 0.0 112.996 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -79.49 -28.63 41.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.276 1.03 . . . . 50.0 112.908 175.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -148.39 115.44 6.11 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.51 1.524 . . . . 50.0 111.239 166.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 t -82.65 -20.1 36.93 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.854 1.057 . . . . 50.0 113.854 178.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.87 -13.47 59.67 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.018 -1.676 . . . . 0.0 115.308 -175.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -75.02 -24.91 58.43 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.159 -0.963 . . . . 50.0 112.782 175.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -83.22 140.15 32.7 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.127 0.971 . . . . 50.0 111.323 -177.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -122.66 -22.07 5.48 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.023 0.929 . . . . 50.0 112.522 -175.177 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -148.96 169.25 21.01 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.412 0.894 . . . . 50.0 113.412 171.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -141.75 154.83 45.53 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 126.57 1.948 . . . . 50.0 111.274 178.36 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.5 p -138.71 135.42 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.201 1.401 . . . . 50.0 109.893 178.243 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.9 mt -120.22 128.55 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 125.294 1.438 . . . . 50.0 107.467 -168.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.2 mt -113.59 123.86 50.98 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.8 1.24 . . . . 75.0 109.362 177.153 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 p -116.64 167.35 11.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.371 0.668 . . . . 0.0 111.466 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -54.01 164.42 0.62 Allowed 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.708 -0.62 . . . . 50.0 111.925 163.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.29 34.2 18.69 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.132 0.79 . . . . 50.0 113.132 176.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 70.15 11.21 7.55 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.797 2.439 . . . . 50.0 114.985 172.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.95 137.1 43.71 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-N 119.295 0.952 . . . . 50.0 113.293 -179.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -144.31 110.25 5.37 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.975 2.11 . . . . 50.0 108.743 -179.318 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -127.33 117.36 22.08 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.25 -0.906 . . . . 50.0 109.304 -172.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -122.6 131.91 54.04 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.672 0.789 . . . . 0.0 112.921 -172.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.5 t -143.07 122.11 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.672 1.189 . . . . 50.0 110.841 -160.14 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -78.09 130.11 36.02 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 122.147 0.975 . . . . 50.0 110.453 168.351 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.5 mt -77.27 -0.36 25.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.191 1.797 . . . . 50.0 112.613 178.389 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -68.07 -10.29 52.77 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.009 1.724 . . . . 75.0 114.389 176.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.5 p -142.8 144.02 27.99 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 119.523 1.056 . . . . 0.0 111.355 -177.529 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.25 157.64 25.16 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.936 3.091 . . . . 50.0 114.314 171.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.95 155.28 13.65 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.445 1.498 . . . . 75.0 112.598 171.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.15 158.34 43.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.727 1.611 . . . . 0.0 112.142 -175.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -57.06 -33.35 67.17 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.059 1.503 . . . . 50.0 115.059 -165.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -66.58 -44.94 80.83 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 120.971 -1.08 . . . . 50.0 111.002 176.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -68.5 -22.95 64.5 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.339 1.456 . . . . 75.0 112.23 176.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -68.98 -24.7 64.27 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.576 0.954 . . . . 50.0 113.576 171.058 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -124.86 -6.95 7.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.303 1.223 . . . . 50.0 114.303 -167.164 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.15 139.6 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.49 1.116 . . . . 50.0 111.593 170.481 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.42 151.96 22.22 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.314 1.046 . . . . 50.0 111.584 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.3 mt -90.09 145.07 25.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.51 1.124 . . . . 50.0 112.412 -178.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.6 mt -70.13 -32.1 69.94 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.282 1.033 . . . . 50.0 113.716 174.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.93 -175.3 41.48 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 123.865 0.745 . . . . 50.0 114.045 -175.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -63.69 147.36 51.82 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.844 1.257 . . . . 50.0 113.372 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttt -67.03 65.42 0.06 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 129.107 2.963 . . . . 50.0 113.885 -176.419 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -55.3 -47.97 74.79 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.914 -1.116 . . . . 50.0 112.672 -175.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -158.57 160.09 36.23 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.302 0.853 . . . . 50.0 113.302 176.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.1 m -132.91 142.16 48.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.563 1.145 . . . . 0.0 109.409 167.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -125.51 149.98 47.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.283 1.833 . . . . 50.0 110.562 179.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -134.72 151.73 51.22 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.236 1.014 . . . . 50.0 112.506 -172.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -134.66 131.33 37.61 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.392 -0.817 . . . . 50.0 110.715 -168.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -75.09 163.39 27.63 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.488 0.715 . . . . 50.0 111.895 178.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . 0.254 53.6 pttt -65.95 64.34 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.507 1.923 . . . . 50.0 114.603 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.62 32.71 0.05 OUTLIER Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.489 1.995 . . . . 50.0 114.213 178.457 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -132.66 160.43 36.73 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.082 1.441 . . . . 50.0 112.822 -163.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 99.0 p -142.83 10.55 1.79 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.094 1.516 . . . . 75.0 115.094 174.028 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -141.66 129.86 22.21 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.921 -1.112 . . . . 75.0 108.828 163.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.4 t -62.41 154.27 28.77 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.418 0.895 . . . . 50.0 113.418 -172.268 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.7 m -131.43 -0.16 4.02 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.49 1.916 . . . . 50.0 113.799 172.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -139.23 137.48 35.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.308 1.443 . . . . 50.0 110.161 176.31 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.58 160.61 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 125.484 1.513 . . . . 50.0 112.837 -164.279 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.8 mt -144.09 121.3 5.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 106.195 -1.78 . . . . 50.0 106.195 -177.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -100.6 145.04 28.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.706 1.202 . . . . 75.0 110.267 -172.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.87 -174.26 27.34 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 114.764 0.666 . . . . 50.0 114.764 -175.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -64.11 138.24 60.9 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.821 2.347 . . . . 50.0 111.691 -175.126 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.05 149.43 5.46 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 127.511 2.481 . . . . 50.0 110.989 173.192 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -135.51 -10.94 2.14 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.954 1.702 . . . . 75.0 113.838 -170.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -157.96 114.75 2.89 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 122.616 1.198 . . . . 0.0 113.955 164.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -69.79 5.79 1.39 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.79 1.236 . . . . 50.0 113.036 168.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -125.51 12.72 8.1 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.819 1.248 . . . . 50.0 114.019 -170.27 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 94.34 113.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.852 2.861 . . . . 50.0 112.765 166.852 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.54 22.06 0.1 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -175.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 29.2 t80 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 125.51 1.524 . . . . 50.0 112.522 -174.213 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.301 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.4 t -145.99 31.58 1.03 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 128.182 2.593 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.433 ' HG1' ' CD2' ' B' ' 11' ' ' TYS . 0.5 OUTLIER -157.75 152.05 20.27 Favored Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -178.139 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -50.53 -163.7 0.0 OUTLIER 'Trans proline' 0 CA--C 1.548 1.193 1 C-N-CA 127.97 5.78 . . . . 75.0 118.313 163.353 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -73.01 89.26 1.43 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.247 1.419 . . . . 75.0 110.422 168.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' TYS . . . . . 0.433 ' CD2' ' HG1' ' B' ' 8' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.31 135.62 3.78 Favored Glycine 0 N--CA 1.434 -1.472 0 CA-C-N 110.675 -2.966 . . . . 75.0 113.826 -160.26 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 54.2 p-80 -152.91 154.64 35.45 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 122.608 1.194 . . . . 50.0 111.623 160.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -153.02 153.99 34.01 Favored 'General case' 0 C--N 1.345 0.375 0 O-C-N 120.82 -1.175 . . . . 75.0 110.491 -173.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -139.64 6.43 2.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.088 1.355 . . . . 50.0 113.726 -179.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -25.05 11.99 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.313 0.961 . . . . 50.0 112.524 163.547 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -101.17 93.7 5.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.753 1.621 . . . . 75.0 108.573 166.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.4 t -138.58 174.38 10.59 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.561 1.544 . . . . 0.0 110.926 179.255 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 48.7 tp -123.39 129.82 51.84 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.436 1.494 . . . . 50.0 107.974 161.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -98.14 90.91 5.03 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.825 2.85 . . . . 75.0 111.997 -175.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.87 41.75 0.08 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 128.442 2.697 . . . . 50.0 112.848 176.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -146.18 15.67 1.33 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.502 2.038 . . . . 75.0 116.502 -175.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 14.2 t -154.58 149.95 21.0 Favored Pre-proline 0 N--CA 1.482 1.138 0 O-C-N 120.593 -1.317 . . . . 0.0 111.426 -178.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -98.52 163.71 0.7 Allowed 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 123.596 2.864 . . . . 75.0 114.446 -171.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 p -166.67 135.0 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.286 1.834 . . . . 50.0 109.495 160.29 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -140.31 8.88 2.25 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.883 1.068 . . . . 50.0 113.883 179.649 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -88.26 103.26 15.62 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.323 1.049 . . . . 50.0 109.624 169.075 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 120.373 -1.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.8 p . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.11 0.481 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -42.69 82.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.103 0.961 . . . . 0.0 112.473 -173.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.75 -37.99 44.08 Favored Glycine 0 CA--C 1.534 1.231 0 N-CA-C 115.107 0.803 . . . . 0.0 115.107 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -69.17 -41.79 76.74 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.352 1.076 . . . . 0.0 112.313 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 tt -70.25 -40.2 74.55 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.276 1.03 . . . . 0.0 112.037 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -54.54 -46.23 73.57 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.429 1.492 . . . . 0.0 112.146 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.88 -40.76 96.53 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.479 0.311 . . . . 0.0 110.718 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -63.75 -44.1 94.51 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.976 -0.535 . . . . 0.0 111.832 174.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.4 mt -66.54 -41.02 89.36 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -71.72 -26.16 62.37 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.036 -1.04 . . . . 0.0 112.703 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -64.98 -46.89 79.58 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.809 -0.615 . . . . 0.0 112.038 161.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.418 ' HB3' ' CD1' ' A' ' 110' ' ' ILE . 6.0 m-85 -53.13 -31.92 44.81 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.668 1.587 . . . . 0.0 114.511 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.04 -52.47 59.24 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.047 1.294 . . . . 0.0 113.06 170.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -66.14 -40.98 91.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.904 0.774 . . . . 0.0 112.23 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -71.59 -17.49 62.29 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.774 2.029 . . . . 0.0 114.49 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.1 -6.78 1.63 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 116.982 1.553 . . . . 0.0 116.982 -162.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.6 p -100.59 170.43 8.38 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 119.447 1.623 . . . . 0.0 110.737 163.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -82.1 -31.72 30.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.596 1.159 . . . . 0.0 110.528 161.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -148.85 121.34 8.51 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.25 1.42 . . . . 0.0 112.884 173.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.3 t -90.3 -22.43 21.57 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.699 1.199 . . . . 0.0 113.628 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.52 -15.68 19.65 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -168.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -81.04 -17.86 48.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.28 1.832 . . . . 0.0 114.317 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 70.6 m-85 -80.51 156.97 26.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.106 0.963 . . . . 0.0 113.217 -172.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -136.24 -40.57 0.66 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.267 1.427 . . . . 0.0 112.307 -167.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.428 ' HE3' ' CD2' ' B' ' 22' ' ' LEU . 35.0 pttt -150.15 171.48 16.83 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.859 0.837 . . . . 0.0 113.197 174.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -141.02 154.28 45.92 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.952 1.701 . . . . 0.0 111.248 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.64 HG11 HD23 ' B' ' 20' ' ' LEU . 14.3 p -140.29 140.9 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.734 1.614 . . . . 0.0 109.358 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.4 mt -130.35 126.35 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.149 1.379 . . . . 0.0 108.027 -160.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.9 mt -117.42 127.06 53.66 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.308 1.043 . . . . 0.0 109.317 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.1 p -119.21 171.88 7.98 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.411 0.684 . . . . 0.0 112.019 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -52.09 164.53 0.28 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.736 -0.602 . . . . 0.0 110.462 160.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 59.62 30.8 20.44 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.658 1.183 . . . . 0.0 112.898 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 48.37 31.12 2.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.556 2.742 . . . . 0.0 115.171 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.33 141.78 47.39 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 121.141 -0.974 . . . . 0.0 112.668 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -140.44 129.5 23.48 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 127.022 2.129 . . . . 0.0 107.629 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -143.64 143.83 31.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.441 1.497 . . . . 0.0 109.165 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 t -144.08 135.56 25.84 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.002 0.819 . . . . 0.0 112.655 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.0 t -143.0 116.36 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.952 1.301 . . . . 0.0 110.569 -168.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -67.64 118.16 10.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.269 0.627 . . . . 0.0 109.921 162.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.7 mt -69.52 -20.13 63.71 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.985 1.714 . . . . 0.0 112.285 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -65.79 -19.29 65.83 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.422 1.489 . . . . 0.0 114.591 -177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.4 p -142.2 138.9 17.13 Favored Pre-proline 0 N--CA 1.479 0.995 0 CA-C-N 119.802 1.183 . . . . 0.0 111.846 -170.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.26 130.6 36.8 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.416 2.744 . . . . 0.0 114.095 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -76.83 136.13 38.92 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.748 -0.595 . . . . 0.0 111.578 170.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.4 167.06 22.43 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.11 -42.58 39.65 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.721 1.209 . . . . 0.0 114.18 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -68.78 -20.54 64.35 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.263 -0.898 . . . . 0.0 112.609 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -89.37 -35.38 16.1 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.158 1.383 . . . . 0.0 111.336 171.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.8 -26.77 66.02 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.403 -0.811 . . . . 0.0 112.524 170.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -113.82 7.41 17.05 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.248 1.419 . . . . 0.0 113.09 -173.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.74 145.94 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.795 -1.191 . . . . 0.0 110.686 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.21 134.35 36.11 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -167.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.4 mt -82.06 128.79 34.47 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.804 1.242 . . . . 0.0 111.876 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.48 -30.46 61.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.715 1.606 . . . . 0.0 114.491 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.03 -179.53 40.63 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-N 119.083 0.856 . . . . 0.0 114.357 -174.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -68.38 154.19 42.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.498 1.119 . . . . 0.0 113.602 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 35.8 ttp -73.33 62.93 0.72 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.939 2.496 . . . . 0.0 114.598 -170.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -57.34 -46.38 83.35 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -147.45 150.27 34.29 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.056 0.943 . . . . 0.0 112.632 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.8 m -136.53 144.42 44.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.46 1.504 . . . . 0.0 109.836 166.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -129.44 147.31 51.24 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.403 1.881 . . . . 0.0 110.492 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -139.37 147.94 42.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.33 1.052 . . . . 0.0 112.754 -169.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.419 ' HE1' HG12 ' A' ' 63' ' ' VAL . 17.4 m-85 -135.25 136.97 42.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.857 1.263 . . . . 0.0 110.828 -167.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -74.02 165.55 24.94 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 173.858 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -54.89 67.56 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 129.725 3.21 . . . . 0.0 113.848 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.71 8.95 1.2 Allowed Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.925 1.726 . . . . 0.0 116.555 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -103.43 157.02 17.32 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 121.023 2.411 . . . . 0.0 114.5 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.1 m -137.92 24.41 2.82 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.548 1.539 . . . . 0.0 113.511 168.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -147.25 124.69 11.65 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.861 1.664 . . . . 0.0 108.131 160.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.2 p -62.33 156.78 21.42 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -167.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t -127.7 -5.13 5.81 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -131.78 142.15 49.67 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.981 1.312 . . . . 0.0 109.117 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.486 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -152.43 154.68 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 126.161 1.784 . . . . 0.0 111.144 -169.417 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 12.6 mt -147.14 130.45 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -104.22 167.57 9.67 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.56 -172.78 35.78 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 121.543 -0.723 . . . . 0.0 114.174 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.02 133.53 29.25 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.488 2.125 . . . . 0.0 110.589 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 157.24 -25.07 0.47 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.214 1.864 . . . . 0.0 113.823 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.9 tttt 58.4 -24.65 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 129.121 2.968 . . . . 0.0 117.669 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.4 t -164.83 161.96 20.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.37 1.868 . . . . 0.0 109.118 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -78.97 -23.77 44.28 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.305 -0.872 . . . . 0.0 112.701 167.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 124.506 1.122 . . . . 0.0 112.603 -177.459 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLY . . . . . 0.409 ' HA2' HG12 ' A' ' 110' ' ' ILE . . . . . . . . 0 CA--C 1.534 1.273 0 N-CA-C 117.139 1.616 . . . . 0.0 117.139 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.486 ' CD2' HG23 ' A' ' 109' ' ' VAL . 51.3 p-80 . . . . . 0 N--CA 1.467 0.395 0 CA-C-O 123.023 1.392 . . . . 0.0 113.638 160.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -129.58 19.42 5.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.186 0.994 . . . . 0.0 113.559 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -34.31 2.46 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.738 -1.226 . . . . 0.0 114.229 166.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.18 -10.83 60.31 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.195 0.998 . . . . 0.0 113.013 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -40.28 154.24 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 128.274 2.63 . . . . 0.0 116.999 -172.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.64 HD23 HG11 ' A' ' 63' ' ' VAL . 51.6 tp -101.7 132.87 47.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.584 1.183 . . . . 0.0 108.355 161.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -108.73 82.12 1.56 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 131.597 3.959 . . . . 0.0 111.679 -168.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.428 ' CD2' ' HE3' ' A' ' 61' ' ' LYS . 6.1 mp . . . . . 0 CA--C 1.555 1.163 0 C-N-CA 127.942 2.497 . . . . 0.0 115.766 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.471 0.612 0 CA-C-O 121.448 0.642 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.6 tp -66.85 -32.76 74.25 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.457 0.703 . . . . 0.0 112.528 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.95 -42.59 94.9 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 120.018 1.281 . . . . 0.0 114.397 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.98 -35.56 80.9 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.624 -0.927 . . . . 0.0 112.195 174.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tt -70.12 -41.06 74.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.424 1.089 . . . . 0.0 112.325 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.88 -41.93 88.27 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.272 1.429 . . . . 0.0 112.123 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -61.02 -41.92 97.46 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.886 -0.508 . . . . 0.0 110.483 172.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -64.34 -46.02 85.3 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 121.79 -0.569 . . . . 0.0 111.526 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.36 -36.3 83.59 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.589 1.086 . . . . 0.0 113.136 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -66.12 -31.57 72.5 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.371 0.669 . . . . 0.0 111.614 171.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -67.34 -48.95 66.01 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.423 166.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -54.33 -34.38 60.9 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.09 -49.87 68.34 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.194 -0.941 . . . . 0.0 113.321 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -69.1 -43.33 74.71 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.301 0.501 . . . . 0.0 111.578 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -60.42 -28.34 68.19 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.481 1.912 . . . . 0.0 113.779 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.69 -14.15 4.39 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 117.682 1.833 . . . . 0.0 117.682 -160.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.1 p -119.13 160.48 22.01 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 118.746 1.273 . . . . 0.0 111.107 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.56 -40.02 77.04 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.072 0.549 . . . . 0.0 112.192 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -153.08 90.2 1.43 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.093 1.757 . . . . 0.0 110.998 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.3 p -60.0 -19.55 53.01 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -22.33 64.51 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 -175.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -74.29 -23.47 59.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.243 1.017 . . . . 0.0 112.898 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 94.3 m-85 -76.08 146.33 39.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.305 1.042 . . . . 0.0 111.055 177.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -128.34 -23.67 3.2 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -174.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -152.19 172.31 16.58 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.061 1.344 . . . . 0.0 112.554 168.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -138.92 157.44 46.03 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 126.71 2.004 . . . . 0.0 110.436 175.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.5 t -135.8 138.22 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.548 1.139 . . . . 0.0 108.827 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.9 mt -126.8 134.44 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.22 1.408 . . . . 0.0 108.162 -163.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.9 mt -122.28 134.86 54.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.455 1.502 . . . . 0.0 109.65 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.9 p -128.54 173.86 9.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.501 0.72 . . . . 0.0 112.51 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -54.04 169.9 0.15 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.71 0.767 . . . . 0.0 111.1 160.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 52.93 32.19 12.18 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.214 1.406 . . . . 0.0 113.069 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt 49.98 32.64 5.85 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.79 2.836 . . . . 0.0 115.466 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.21 147.49 49.14 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.88 -0.513 . . . . 0.0 113.168 170.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -151.03 127.88 10.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.901 2.08 . . . . 0.0 109.156 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -143.17 121.82 12.55 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.552 0.741 . . . . 0.0 111.015 -173.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.9 t -94.75 136.62 34.85 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.018 0.826 . . . . 0.0 110.866 167.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.9 t -142.9 127.55 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.536 1.534 . . . . 0.0 109.851 -175.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -84.63 144.27 28.7 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.558 -0.714 . . . . 0.0 112.153 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.1 mt -107.72 -18.47 13.82 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -72.96 -0.35 13.47 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.524 1.057 . . . . 0.0 113.032 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.7 p -148.77 156.25 41.27 Favored Pre-proline 0 C--O 1.24 0.559 0 C-N-CA 126.015 1.726 . . . . 0.0 110.658 -164.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.11 148.92 83.29 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 122.805 2.337 . . . . 0.0 111.329 157.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -91.52 151.32 20.81 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.32 0.581 . . . . 0.0 111.602 170.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.67 148.31 49.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.562 0.745 . . . . 0.0 112.58 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -57.05 -34.45 68.26 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -174.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.21 -29.82 68.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.263 1.025 . . . . 0.0 112.046 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -90.15 -28.87 18.65 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.796 2.038 . . . . 0.0 111.203 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -61.8 -35.29 77.76 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.113 0.869 . . . . 0.0 111.53 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -105.16 2.04 28.88 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.49 140.98 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.731 1.151 . . . . 0.0 112.187 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -79.22 116.7 19.64 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.257 1.423 . . . . 0.0 110.757 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.48 135.63 57.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.547 1.139 . . . . 0.0 112.255 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.1 -26.7 68.33 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.903 0.881 . . . . 0.0 113.072 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.51 -172.37 36.8 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.347 1.451 . . . . 0.0 113.474 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -69.76 153.01 43.95 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.88 2.072 . . . . 0.0 113.05 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 40.3 ttp -70.03 64.56 0.23 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.488 2.315 . . . . 0.0 115.107 -171.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.24 -49.43 33.3 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -163.14 156.7 19.71 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.694 1.134 . . . . 0.0 112.196 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.6 m -138.35 151.03 47.16 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.076 1.35 . . . . 0.0 111.02 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -132.28 143.6 50.01 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.638 2.375 . . . . 0.0 110.201 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -135.88 141.19 44.57 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.91 0.884 . . . . 0.0 112.21 -170.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -132.11 131.58 42.47 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.462 1.105 . . . . 0.0 111.382 -163.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -81.72 166.63 19.91 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 177.875 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -36.92 101.71 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.114 2.166 . . . . 0.0 114.085 170.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.8 4.0 79.65 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.602 1.096 . . . . 0.0 115.543 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -86.4 161.65 18.55 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.953 1.377 . . . . 0.0 112.165 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.9 m -139.83 25.66 2.33 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.025 1.73 . . . . 0.0 112.676 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -144.63 140.85 28.96 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.696 1.598 . . . . 0.0 108.369 163.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.3 p -70.78 155.25 41.01 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 p -125.69 -8.83 6.76 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.908 1.283 . . . . 0.0 113.798 167.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -130.68 140.72 50.38 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.162 1.385 . . . . 0.0 108.758 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.464 HG23 ' NE2' ' B' ' 13' ' ' HIS . 2.5 m -149.77 154.95 8.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 125.861 1.664 . . . . 0.0 110.846 -171.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.6 mt -145.63 132.74 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -173.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -102.74 138.92 39.0 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 124.331 1.052 . . . . 0.0 109.743 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.41 -178.74 24.67 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 114.131 0.412 . . . . 0.0 114.131 -174.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.71 131.33 27.26 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.732 2.288 . . . . 0.0 112.621 -173.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.35 -30.05 0.18 Allowed Glycine 0 CA--C 1.539 1.533 0 N-CA-C 116.086 1.194 . . . . 0.0 116.086 173.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? 69.23 -32.74 0.23 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 127.093 2.157 . . . . 0.0 115.575 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -164.33 161.33 21.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.081 1.352 . . . . 0.0 110.867 172.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -76.21 -33.31 59.25 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.795 -0.566 . . . . 0.0 111.974 164.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 125.454 1.502 . . . . 0.0 112.523 -170.581 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.313 0 CA-C-O 121.342 0.412 . . . . 0.0 113.893 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.464 ' NE2' HG23 ' A' ' 109' ' ' VAL . 44.3 p-80 . . . . . 0 N--CA 1.465 0.277 0 O-C-N 121.097 -1.237 . . . . 0.0 111.94 173.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 121.468 0.652 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -141.86 -26.12 0.67 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.844 2.058 . . . . 0.0 112.306 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -70.0 -25.37 63.57 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.17 0.896 . . . . 0.0 113.208 -171.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -114.65 8.14 16.18 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.513 1.925 . . . . 0.0 113.179 -174.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -55.28 150.34 11.36 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -172.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.3 tp -92.71 123.57 36.09 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 166.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -102.63 96.87 7.17 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.831 2.452 . . . . 0.0 111.637 -173.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 CA--C 1.551 0.989 0 C-N-CA 128.464 2.706 . . . . 0.0 115.119 179.689 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.17 -33.28 70.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.059 0.943 . . . . 0.0 113.039 -177.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.71 -44.09 79.95 Favored Glycine 0 CA--C 1.536 1.351 0 O-C-N 120.966 -1.084 . . . . 0.0 114.06 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 10.5 mmpt? -65.92 -37.42 86.01 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.353 1.076 . . . . 0.0 112.667 174.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.4 tp -66.72 -44.12 82.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.491 -0.766 . . . . 0.0 112.397 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -55.41 -43.46 75.31 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.161 1.346 . . . . 0.0 111.974 173.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.0 -22.76 65.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.572 1.549 . . . . 0.0 112.449 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -86.05 -48.07 8.99 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 120.752 -1.217 . . . . 0.0 112.796 165.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.15 -34.33 77.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.638 1.563 . . . . 0.0 113.629 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -64.17 -34.15 77.41 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.496 0.589 . . . . 0.0 111.447 169.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -71.33 -39.39 71.39 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.785 169.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -60.44 -24.7 65.42 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.369 1.44 . . . . 0.0 114.507 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.85 -51.45 22.34 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.797 1.18 . . . . 0.0 113.716 164.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -68.68 -40.7 79.96 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.297 0.953 . . . . 0.0 112.313 -174.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -75.99 -10.61 59.56 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.301 1.84 . . . . 0.0 113.742 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.16 -17.58 2.44 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 117.361 1.704 . . . . 0.0 117.361 -170.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.4 p -112.4 159.93 18.23 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.116 1.958 . . . . 0.0 112.563 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -67.67 -34.18 76.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.704 1.602 . . . . 0.0 112.576 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -163.34 97.29 0.89 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.844 2.458 . . . . 0.0 111.155 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 t -59.64 -23.87 63.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.237 1.415 . . . . 0.0 114.781 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -5.77 2.95 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -92.58 -6.12 50.19 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.767 -1.208 . . . . 0.0 113.403 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 78.6 m-85 -88.05 153.44 21.27 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.987 1.267 . . . . 0.0 113.031 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -134.94 -40.66 0.76 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.079 1.351 . . . . 0.0 112.465 -165.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -147.15 171.7 14.94 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 169.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -135.62 159.72 40.75 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.201 1.4 . . . . 0.0 112.076 172.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.0 t -138.99 135.09 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 126.284 1.834 . . . . 0.0 108.562 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mt -127.9 133.11 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.674 1.59 . . . . 0.0 108.395 -165.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -117.78 113.14 21.37 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.631 1.172 . . . . 0.0 107.925 173.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.1 p -98.68 171.23 8.24 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.333 0.587 . . . . 0.0 111.476 -177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -58.47 165.27 2.19 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.451 -0.78 . . . . 0.0 110.67 160.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 54.11 39.85 31.07 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.212 1.405 . . . . 0.0 113.858 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt 56.83 25.93 10.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.088 2.155 . . . . 0.0 114.999 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.1 143.72 40.01 Favored Glycine 0 CA--C 1.533 1.178 0 O-C-N 121.182 -0.949 . . . . 0.0 112.789 169.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -138.79 132.52 30.75 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 127.081 2.152 . . . . 0.0 107.015 170.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -145.46 144.38 30.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.814 0.846 . . . . 0.0 111.058 -177.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.8 t -135.02 143.6 46.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.361 1.065 . . . . 0.0 112.393 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.85 128.98 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.836 1.655 . . . . 0.0 110.135 -172.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -86.44 92.72 8.93 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.357 1.463 . . . . 0.0 112.247 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.02 -13.34 2.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.777 2.431 . . . . 0.0 115.215 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -59.55 -16.09 22.68 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 163.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.6 p -146.01 148.64 36.23 Favored Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 125.445 1.498 . . . . 0.0 110.885 -167.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -71.36 122.26 8.5 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 123.934 3.09 . . . . 0.0 111.024 171.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -63.81 136.56 57.52 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.581 -0.699 . . . . 0.0 111.82 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.15 158.82 15.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.894 0.878 . . . . 0.0 112.976 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -59.14 -33.27 70.69 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -170.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -71.86 -33.19 68.19 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.723 -1.236 . . . . 0.0 112.136 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.75 -28.23 60.67 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.327 1.051 . . . . 0.0 111.964 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -61.16 -26.32 67.62 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.842 -1.162 . . . . 0.0 112.3 166.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -118.02 20.38 13.28 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.378 1.471 . . . . 0.0 112.621 -171.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.35 142.3 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 CA-C-N 119.452 1.023 . . . . 0.0 111.225 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.59 133.16 48.09 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.982 1.713 . . . . 0.0 114.02 -168.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.3 122.02 34.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.226 1.411 . . . . 0.0 112.527 172.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.11 -28.85 63.55 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.296 1.438 . . . . 0.0 114.826 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -175.05 -177.98 44.55 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-N 119.78 1.173 . . . . 0.0 114.551 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 147.06 12.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.853 2.061 . . . . 0.0 113.711 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.4 ttp -66.15 51.5 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 129.116 2.967 . . . . 0.0 115.011 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -50.34 -47.62 55.82 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.996 1.318 . . . . 0.0 113.921 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.48 140.52 26.29 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.947 0.794 . . . . 0.0 112.273 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.8 m -136.65 145.08 44.41 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.908 0.883 . . . . 0.0 111.043 168.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -124.63 139.3 53.99 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 128.57 2.748 . . . . 0.0 109.834 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -131.81 139.83 48.99 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.291 1.436 . . . . 0.0 110.948 -172.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -129.87 126.47 38.06 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.72 1.208 . . . . 0.0 110.112 -163.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 37.0 mttt -67.79 164.77 18.83 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -63.45 61.18 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.632 3.173 . . . . 0.0 112.022 168.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.93 40.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.943 0 C-N-CA 125.903 1.716 . . . . 0.0 113.569 -176.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -153.17 146.09 24.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.049 1.339 . . . . 0.0 111.761 -167.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.7 m -142.44 38.48 1.54 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.13 1.372 . . . . 0.0 111.367 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.516 ' CE ' HG21 ' B' ' 19' ' ' THR . 72.8 tttt -152.71 119.49 5.72 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.204 2.202 . . . . 0.0 106.251 162.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.0 p -51.68 147.29 6.72 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -168.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.8 t -109.93 -15.26 14.11 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.276 0.63 . . . . 0.0 112.428 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -133.65 140.99 47.42 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 125.206 1.402 . . . . 0.0 109.635 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.418 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -151.44 154.93 7.58 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 C-N-CA 125.46 1.504 . . . . 0.0 111.861 -174.759 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.59 118.36 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -170.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -90.27 109.99 21.06 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.49 -167.96 16.69 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.865 0.745 . . . . 0.0 113.491 -171.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -64.65 122.7 10.65 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.82 2.346 . . . . 0.0 109.499 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 132.48 159.78 9.39 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 127.469 2.461 . . . . 0.0 109.883 -171.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -137.83 -15.39 1.36 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -165.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.8 t -169.08 155.78 6.81 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.269 1.828 . . . . 0.0 108.051 -175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -74.98 -23.82 58.34 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.085 -1.009 . . . . 0.0 111.72 167.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 CA--C 1.547 0.858 0 C-N-CA 124.412 1.085 . . . . 0.0 113.172 -171.511 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.448 0 N-CA-C 117.698 1.839 . . . . 0.0 117.698 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.418 ' NE2' HG13 ' A' ' 109' ' ' VAL . 44.2 p-80 . . . . . 0 N--CA 1.469 0.485 0 O-C-N 120.849 -1.383 . . . . 0.0 113.133 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -136.21 -18.47 1.53 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 169.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -147.34 -17.87 0.39 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 175.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.53 -21.79 66.78 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.516 HG21 ' CE ' ' A' ' 105' ' ' LYS . 8.9 t -37.05 155.72 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.287 2.635 . . . . 0.0 116.491 177.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 41.3 tp -98.33 117.49 32.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 160.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -77.83 134.83 37.91 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.665 0.745 . . . . 0.0 110.413 167.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 127.662 2.385 . . . . 0.0 110.759 174.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 121.015 0.436 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.84 -34.41 69.68 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.897 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.98 -41.38 45.19 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 119.592 1.087 . . . . 0.0 114.637 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -87.09 -35.87 18.45 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.419 1.087 . . . . 0.0 113.068 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.94 -41.85 99.62 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.748 0.704 . . . . 0.0 111.922 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.1 -40.72 86.18 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.224 1.81 . . . . 0.0 113.254 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.8 -40.83 95.88 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -63.8 -47.89 79.07 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.212 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.41 -37.51 83.72 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.281 1.401 . . . . 0.0 114.221 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -66.19 -30.34 70.78 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.538 -0.726 . . . . 0.0 111.245 172.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -74.88 -34.98 62.31 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 117.847 -1.073 . . . . 0.0 112.998 169.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -58.49 -34.03 70.46 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.611 1.55 . . . . 0.0 113.127 171.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.56 -49.85 69.57 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.158 -0.964 . . . . 0.0 112.922 174.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -65.73 -43.45 88.99 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.546 0.612 . . . . 0.0 112.172 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -65.68 -19.16 65.8 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.526 1.13 . . . . 0.0 114.023 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -130.43 -9.44 2.94 Favored Glycine 0 CA--C 1.535 1.317 0 N-CA-C 117.584 1.794 . . . . 0.0 117.584 -161.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 p -128.11 151.8 48.76 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 120.339 2.07 . . . . 0.0 111.89 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -67.17 -30.71 70.75 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -158.17 91.5 1.11 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.825 1.65 . . . . 0.0 112.328 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.6 p -54.75 -27.37 40.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.223 1.809 . . . . 0.0 115.118 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.6 -22.71 66.7 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -166.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -74.86 -18.99 60.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.676 1.19 . . . . 0.0 113.346 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -77.17 155.17 32.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.639 0.775 . . . . 0.0 112.327 -176.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -126.45 -48.05 1.56 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.15 1.38 . . . . 0.0 110.507 -166.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -151.53 178.02 9.73 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.906 1.283 . . . . 0.0 112.339 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -145.47 163.6 34.17 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 125.653 1.581 . . . . 0.0 111.904 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 HD23 ' B' ' 20' ' ' LEU . 11.5 p -145.18 137.14 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.231 1.412 . . . . 0.0 110.437 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.58 137.84 47.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 126.895 2.078 . . . . 0.0 108.817 -170.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 mt -121.97 128.69 51.77 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.584 1.554 . . . . 0.0 109.364 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 p -125.1 174.39 8.08 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -171.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -54.72 167.87 0.33 Allowed 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.588 -0.695 . . . . 0.0 110.064 160.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 56.24 33.84 22.9 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.298 1.039 . . . . 0.0 113.377 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 48.2 30.6 2.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 128.075 2.55 . . . . 0.0 115.315 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.44 138.97 45.35 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.312 -0.867 . . . . 0.0 112.82 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -138.31 126.07 22.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.66 2.384 . . . . 0.0 106.927 172.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -144.98 137.1 25.87 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.302 1.041 . . . . 0.0 110.115 -177.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.3 t -127.54 143.58 51.16 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.025 1.284 . . . . 0.0 112.498 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.7 t -144.16 144.86 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.274 1.829 . . . . 0.0 108.915 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -77.02 154.47 33.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.894 0.854 . . . . 0.0 113.111 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.6 mt -105.89 -18.61 14.0 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.824 1.649 . . . . 0.0 112.35 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -58.34 -27.66 64.37 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.372 0.669 . . . . 0.0 112.497 170.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.6 p -145.23 159.57 48.61 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 126.822 2.049 . . . . 0.0 109.946 -169.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.91 147.56 27.2 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 124.099 3.2 . . . . 0.0 112.779 171.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.28 164.01 23.75 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -171.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.76 143.49 55.84 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.448 1.099 . . . . 0.0 113.891 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -62.35 -22.93 66.49 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 120.89 -1.131 . . . . 0.0 113.961 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.94 -36.58 82.56 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 119.871 -1.768 . . . . 0.0 111.54 170.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -73.96 -13.87 60.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.697 1.199 . . . . 0.0 111.996 174.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -73.18 -13.83 61.24 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 163.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -110.59 -19.18 12.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.963 1.305 . . . . 0.0 113.755 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -64.73 132.44 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.686 0.795 . . . . 0.0 112.029 -172.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -68.92 125.56 27.02 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.702 0.801 . . . . 0.0 110.999 172.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.5 mt -64.87 127.61 32.29 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.552 -0.718 . . . . 0.0 111.048 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.67 -33.19 69.84 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.37 -174.73 39.28 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.498 1.046 . . . . 0.0 113.799 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -63.88 148.82 48.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.422 1.089 . . . . 0.0 112.79 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 37.9 ttp -71.42 63.7 0.39 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 129.198 2.999 . . . . 0.0 115.058 -170.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -56.06 -39.75 72.51 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.843 -1.161 . . . . 0.0 114.028 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -144.1 158.64 43.59 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.407 1.083 . . . . 0.0 112.415 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.0 m -141.72 149.11 40.09 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.417 1.487 . . . . 0.0 110.072 163.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -131.48 150.22 52.23 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.111 1.764 . . . . 0.0 111.545 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -139.47 144.29 37.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.546 1.538 . . . . 0.0 112.12 -169.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -132.54 141.23 48.65 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.105 1.362 . . . . 0.0 111.879 -166.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 160.72 19.44 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -52.76 89.92 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.461 2.704 . . . . 0.0 113.769 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.74 -7.0 17.77 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 126.081 1.8 . . . . 0.0 115.266 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -104.28 162.29 13.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.178 1.791 . . . . 0.0 111.525 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.3 p -141.87 14.11 2.09 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.765 1.626 . . . . 0.0 114.314 -172.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -133.35 142.15 48.27 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.574 1.55 . . . . 0.0 107.434 165.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.7 p -64.2 162.37 14.68 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.261 1.029 . . . . 0.0 113.253 -170.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.2 t -132.89 -10.1 3.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.238 -1.346 . . . . 0.0 112.397 165.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -137.15 140.09 41.61 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.177 1.391 . . . . 0.0 109.125 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.401 HG13 ' CD2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -156.02 153.37 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.691 1.596 . . . . 0.0 111.283 -169.85 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.1 mt -142.33 133.09 24.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -167.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -95.59 142.89 27.38 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.132 0.973 . . . . 0.0 110.922 175.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.53 -169.81 14.57 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 123.27 0.462 . . . . 0.0 113.696 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -66.4 145.25 76.71 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.793 2.328 . . . . 0.0 109.945 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.32 -24.9 2.19 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.883 1.706 . . . . 0.0 113.57 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt 60.54 -18.39 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.872 2.869 . . . . 0.0 117.175 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -171.83 157.58 4.59 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.862 1.665 . . . . 0.0 110.1 -178.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -78.93 -20.35 49.53 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.325 -0.859 . . . . 0.0 112.419 165.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 CA--C 1.548 0.904 0 C-N-CA 126.714 2.006 . . . . 0.0 114.793 -170.664 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.16 0 N-CA-C 114.807 0.683 . . . . 0.0 114.807 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.401 ' CD2' HG13 ' A' ' 109' ' ' VAL . 47.6 p-80 . . . . . 0 CA--C 1.513 -0.447 0 O-C-N 121.219 -1.165 . . . . 0.0 111.787 171.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -142.01 31.24 1.59 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.107 1.763 . . . . 0.0 111.321 164.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -163.73 -27.2 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.164 1.385 . . . . 0.0 114.599 -167.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -95.84 -17.87 20.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.182 2.193 . . . . 0.0 112.052 -166.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -49.0 153.05 0.94 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 129.989 3.316 . . . . 0.0 118.767 -165.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.664 HD23 HG11 ' A' ' 63' ' ' VAL . 37.9 tp -99.61 134.41 42.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.107 1.363 . . . . 0.0 108.042 160.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -111.04 95.5 5.58 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 127.225 2.21 . . . . 0.0 111.052 -174.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 125.484 1.514 . . . . 0.0 111.696 177.218 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 121.161 0.505 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.7 mt -63.67 -29.92 71.09 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.36 -0.828 . . . . 0.0 111.673 167.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.83 -36.64 6.73 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 120.153 1.342 . . . . 0.0 115.086 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -95.02 -45.92 7.04 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.418 1.109 . . . . 0.0 113.393 166.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.36 -43.91 76.41 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -172.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.21 -38.74 90.31 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 120.185 1.357 . . . . 0.0 110.867 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.27 -45.99 92.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.979 0.912 . . . . 0.0 111.163 169.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -68.07 -38.81 82.84 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.396 1.078 . . . . 0.0 113.126 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.79 -31.69 66.85 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.453 -1.405 . . . . 0.0 113.039 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -62.07 -34.0 75.46 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.559 0.618 . . . . 0.0 111.042 166.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.06 -45.59 73.45 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.576 170.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -54.13 -41.75 68.72 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.0 -43.24 93.19 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.075 1.307 . . . . 0.0 113.337 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -69.09 -43.87 73.63 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.58 1.082 . . . . 0.0 112.007 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -61.54 -21.06 63.94 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.956 1.302 . . . . 0.0 113.954 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.16 -41.82 0.53 Allowed Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -160.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.5 p -92.85 167.88 11.54 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.884 1.342 . . . . 0.0 112.238 -177.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.25 -35.84 66.3 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.251 -0.906 . . . . 0.0 111.936 168.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -146.41 112.97 5.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.098 0.959 . . . . 0.0 112.466 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.9 t -67.82 -28.17 67.34 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.02 1.328 . . . . 0.0 113.258 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.88 -12.18 58.44 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -81.73 -14.82 56.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.021 0.928 . . . . 0.0 113.446 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -90.1 132.98 35.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.522 1.129 . . . . 0.0 111.038 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -116.94 -25.71 7.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.002 0.921 . . . . 0.0 112.902 -170.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -150.47 173.29 14.23 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.475 1.11 . . . . 0.0 112.699 168.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -145.08 158.72 43.73 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 126.079 1.751 . . . . 0.0 111.216 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.418 HG21 HD11 ' B' ' 22' ' ' LEU . 94.6 t -137.01 134.82 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 125.072 1.349 . . . . 0.0 109.474 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.3 mt -120.75 130.86 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 125.876 1.671 . . . . 0.0 107.807 -166.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.1 mt -117.17 117.64 30.15 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.0 0.92 . . . . 0.0 108.633 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.9 p -107.81 175.62 5.42 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.558 0.743 . . . . 0.0 111.995 -171.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -53.95 172.98 0.07 Allowed 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.303 -0.873 . . . . 0.0 111.546 160.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 53.43 29.5 8.97 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.126 1.37 . . . . 0.0 113.702 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp 56.83 35.48 26.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.53 1.932 . . . . 0.0 113.626 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.07 150.55 30.68 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.107 0.86 . . . . 0.0 113.438 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.67 136.01 26.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.73 2.412 . . . . 0.0 107.595 176.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -143.1 137.5 29.2 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.134 0.973 . . . . 0.0 110.503 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -117.0 134.16 55.1 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.255 1.022 . . . . 0.0 109.997 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.92 113.63 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.019 0.928 . . . . 0.0 109.747 -160.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -80.84 118.11 22.07 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.47 0.708 . . . . 0.0 110.695 -176.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.5 mt -77.48 -27.77 52.08 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.837 1.255 . . . . 0.0 111.066 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -64.11 0.92 0.8 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.407 1.883 . . . . 0.0 114.125 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.1 p -134.31 138.31 29.98 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.794 1.638 . . . . 0.0 110.218 171.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.71 153.08 45.01 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.704 2.936 . . . . 0.0 113.066 170.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tt -64.73 130.81 44.93 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.599 1.16 . . . . 0.0 110.749 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.65 174.84 9.71 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.488 1.515 . . . . 0.0 112.13 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -47.78 -34.89 9.11 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.59 2.071 . . . . 0.0 116.59 -168.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -71.35 -27.79 63.6 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.987 0.812 . . . . 0.0 112.398 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -89.87 -29.0 18.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.465 1.506 . . . . 0.0 109.986 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -62.12 -27.88 69.24 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.434 1.094 . . . . 0.0 113.825 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -127.56 -1.92 6.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -165.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.93 141.33 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 118.9 0.773 . . . . 0.0 110.836 168.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -106.86 139.56 41.08 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.56 1.171 . . . . 0.0 111.893 172.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.27 149.48 33.55 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.958 2.103 . . . . 0.0 110.728 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.3 -24.91 64.91 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.449 1.099 . . . . 0.0 113.329 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.26 -175.03 36.24 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.987 0.803 . . . . 0.0 114.292 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -66.96 155.14 39.33 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.122 1.369 . . . . 0.0 113.305 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ttt -66.18 64.11 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 129.223 3.009 . . . . 0.0 114.372 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.403 ' CZ ' ' HE2' ' A' ' 95' ' ' LYS . 31.0 t80 -61.24 -45.41 94.66 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.41 -1.432 . . . . 0.0 113.993 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.403 ' HE2' ' CZ ' ' A' ' 94' ' ' TYR . 71.8 mmtt -142.83 155.86 44.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.93 1.292 . . . . 0.0 111.499 176.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 54.6 m -141.02 147.78 39.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.199 1.0 . . . . 0.0 110.085 166.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -129.48 138.41 51.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.421 2.289 . . . . 0.0 109.322 -175.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -130.94 140.95 50.23 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.823 0.849 . . . . 0.0 112.652 -170.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.519 ' CZ ' HD13 ' B' ' 22' ' ' LEU . 63.7 m-85 -126.7 128.95 47.49 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.927 1.291 . . . . 0.0 110.962 -163.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -77.88 164.25 25.32 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -43.13 109.94 0.16 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.127 1.771 . . . . 0.0 113.056 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.73 25.58 73.62 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.189 0.9 . . . . 0.0 115.102 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -122.12 158.04 30.18 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.154 1.477 . . . . 0.0 111.454 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.3 p -134.16 3.7 3.42 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -165.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -126.3 134.76 51.05 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.217 1.407 . . . . 0.0 108.476 161.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 p -62.46 163.02 9.3 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.5 t -132.76 -16.79 2.56 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.372 1.069 . . . . 0.0 113.746 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -125.31 140.06 53.15 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 169.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.439 HG23 ' NE2' ' B' ' 13' ' ' HIS . 14.8 m -141.96 154.01 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 C-N-CA 123.981 0.912 . . . . 0.0 111.273 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.8 mt -145.46 137.77 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.133 -167.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -113.73 133.37 55.39 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 125.634 1.574 . . . . 0.0 109.771 -169.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.47 -172.06 19.34 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 114.205 0.442 . . . . 0.0 114.205 -169.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.34 134.07 22.1 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.018 2.478 . . . . 0.0 111.774 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 154.63 -12.65 0.48 Allowed Glycine 0 CA--C 1.539 1.55 0 C-N-CA 126.987 2.232 . . . . 0.0 114.787 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt 63.45 -37.3 0.17 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.554 2.741 . . . . 0.0 116.795 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.1 t -170.52 153.54 4.28 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.744 1.617 . . . . 0.0 110.115 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -74.36 -26.35 60.07 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.252 -0.905 . . . . 0.0 112.896 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 . . . . . 0 N--CA 1.481 1.076 0 C-N-CA 126.593 1.957 . . . . 0.0 114.813 -177.831 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.2 0 CA-C-O 120.038 -0.312 . . . . 0.0 113.086 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.439 ' NE2' HG23 ' A' ' 109' ' ' VAL . 26.5 p-80 . . . . . 0 N--CA 1.469 0.522 0 CA-C-N 118.405 1.103 . . . . 0.0 112.535 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 121.121 0.486 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.17 0.34 1.91 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 166.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -117.19 -24.15 7.6 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -173.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -96.47 -14.3 22.47 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.662 1.185 . . . . 0.0 112.743 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -37.26 144.09 0.08 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 128.707 2.803 . . . . 0.0 116.145 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 65.5 tp -92.47 125.17 37.0 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 166.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.33 112.81 22.46 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.646 1.212 . . . . 0.0 109.819 164.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.519 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 5.0 mp . . . . . 0 N--CA 1.47 0.569 0 C-N-CA 124.38 1.072 . . . . 0.0 111.039 171.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 C--O 1.235 0.326 0 CA-C-O 121.439 0.638 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.69 -38.94 67.62 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.521 1.128 . . . . 0.0 113.019 -171.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.78 -32.85 59.2 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.508 1.052 . . . . 0.0 115.515 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -77.16 -30.03 54.76 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.358 1.079 . . . . 0.0 112.365 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 tp -76.75 -44.92 31.14 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.44 1.096 . . . . 0.0 111.832 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.28 -44.49 65.01 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.067 1.347 . . . . 0.0 111.16 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.04 -38.26 67.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.489 0.715 . . . . 0.0 112.779 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -73.31 -48.61 32.99 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.219 -0.926 . . . . 0.0 111.035 173.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.3 -40.17 96.6 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.743 1.217 . . . . 0.0 113.748 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -67.6 -35.36 78.83 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.63 1.972 . . . . 0.0 111.558 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -70.72 -41.5 71.81 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 166.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CD1' HD13 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -54.08 -34.32 59.86 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.922 1.289 . . . . 0.0 113.903 178.533 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.34 -45.77 75.39 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 177.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -66.33 -48.56 69.89 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.013 0.525 . . . . 0.0 110.773 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -68.93 -20.36 64.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.121 2.168 . . . . 0.0 114.514 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.18 -13.57 6.36 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 117.066 1.586 . . . . 0.0 117.066 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.5 p -101.79 168.22 9.58 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.819 1.81 . . . . 0.0 113.357 175.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -74.77 -37.87 62.32 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.39 0.676 . . . . 0.0 111.825 169.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -149.54 97.15 2.59 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.521 1.928 . . . . 0.0 112.768 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -61.6 -23.66 66.17 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.617 1.567 . . . . 0.0 114.198 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.84 -20.05 33.35 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 -171.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -81.08 -17.58 49.56 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.265 1.426 . . . . 0.0 113.56 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 85.5 m-85 -78.48 154.29 30.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.216 1.006 . . . . 0.0 112.671 -177.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -139.55 -30.26 0.71 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.123 0.969 . . . . 0.0 113.034 -168.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -153.73 175.01 13.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 171.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -143.8 154.72 43.7 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.713 1.605 . . . . 0.0 112.342 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.7 137.28 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.416 1.486 . . . . 0.0 109.395 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.4 mt -122.18 134.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.769 1.628 . . . . 0.0 108.48 -164.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.7 mt -121.83 132.84 54.8 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.255 1.422 . . . . 0.0 110.083 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.4 p -124.19 174.54 7.61 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 122.195 0.998 . . . . 0.0 113.202 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -54.63 165.56 0.57 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 121.113 -0.992 . . . . 0.0 110.422 159.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 56.23 30.32 16.41 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 175.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 64.87 10.59 6.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.38 2.672 . . . . 0.0 116.963 172.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.05 147.48 50.77 Favored Glycine 0 CA--C 1.542 1.728 0 N-CA-C 115.562 0.985 . . . . 0.0 115.562 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -138.36 131.27 29.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.441 2.296 . . . . 0.0 109.057 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -141.35 143.98 34.3 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.488 1.115 . . . . 0.0 111.117 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 t -131.52 132.99 44.62 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.273 1.029 . . . . 0.0 112.343 -175.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.5 t -143.04 137.83 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.998 1.319 . . . . 0.0 110.614 -170.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -87.91 155.97 19.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 123.146 1.45 . . . . 0.0 112.764 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.7 mt -113.24 -1.74 14.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.065 1.746 . . . . 0.0 112.211 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -56.58 -35.07 67.79 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.636 0.774 . . . . 0.0 111.784 167.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.2 p -144.94 165.47 22.19 Favored Pre-proline 0 N--CA 1.469 0.513 0 C-N-CA 126.257 1.823 . . . . 0.0 109.253 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.77 134.99 64.09 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 122.502 2.135 . . . . 0.0 110.465 160.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -58.91 156.57 11.24 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.53 144.86 50.49 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.093 0.957 . . . . 0.0 112.699 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -59.0 -30.17 67.79 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.925 -1.109 . . . . 0.0 112.017 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.46 -22.16 66.2 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.734 1.614 . . . . 0.0 112.827 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -97.14 -29.29 13.69 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.218 1.807 . . . . 0.0 111.15 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.81 -43.45 94.5 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.636 1.107 . . . . 0.0 111.681 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -80.65 3.26 22.62 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -83.65 145.86 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 120.478 1.49 . . . . 0.0 111.623 -173.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.88 149.74 49.44 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.013 1.325 . . . . 0.0 113.842 -173.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.5 mt -105.38 116.82 32.6 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.256 1.422 . . . . 0.0 111.781 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.0 -25.23 65.1 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.268 1.827 . . . . 0.0 114.13 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -175.06 179.37 46.38 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.103 0.859 . . . . 0.0 114.421 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -65.57 156.14 33.59 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.368 1.467 . . . . 0.0 113.845 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.8 ttt -69.3 73.48 0.33 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.271 2.228 . . . . 0.0 113.778 -175.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.69 -56.43 19.3 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.886 -1.134 . . . . 0.0 112.718 174.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -151.59 161.66 42.29 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.477 1.035 . . . . 0.0 112.565 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.2 m -138.78 144.77 39.52 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.975 1.31 . . . . 0.0 109.696 171.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -125.7 138.5 53.88 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.795 2.038 . . . . 0.0 109.718 -172.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -129.54 143.35 50.79 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.852 0.861 . . . . 0.0 111.799 -171.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -128.96 127.73 42.29 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.318 1.047 . . . . 0.0 111.21 -163.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 36.3 mttt -67.85 161.24 26.73 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.175 0.512 . . . . 0.0 111.612 172.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -51.76 123.53 10.38 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.251 1.02 . . . . 0.0 112.129 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.83 -2.86 47.55 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.871 1.508 . . . . 0.0 116.871 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -85.63 165.48 16.98 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.733 1.766 . . . . 0.0 112.617 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 p -136.08 1.37 2.71 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.975 1.71 . . . . 0.0 114.773 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -127.53 132.93 49.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.798 1.239 . . . . 0.0 109.477 165.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 p -63.78 154.92 31.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -170.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 t -123.6 -16.73 6.66 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 110' ' ' ILE . 69.8 t80 -135.31 132.78 38.12 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 126.362 1.865 . . . . 0.0 107.426 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.565 HG22 ' OD1' ' B' ' 15' ' ' ASP . 4.0 m -138.94 162.42 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 123.169 1.461 . . . . 0.0 113.095 177.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.451 HD11 ' CE2' ' A' ' 108' ' ' TYR . 5.8 mt -149.05 141.72 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.9 -169.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -113.64 148.07 36.95 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.432 1.493 . . . . 0.0 110.453 -170.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.19 -172.44 18.15 Favored Glycine 0 CA--C 1.528 0.849 0 O-C-N 121.975 -0.453 . . . . 0.0 112.881 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.65 126.97 16.28 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.866 1.711 . . . . 0.0 110.428 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.88 -37.51 0.34 Allowed Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.702 1.62 . . . . 0.0 114.12 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 50.33 -15.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 130.012 3.325 . . . . 0.0 119.886 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.1 t -163.26 145.4 9.95 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.396 1.453 . . . . 0.0 110.467 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -76.92 -19.89 56.85 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.516 -0.74 . . . . 0.0 112.38 170.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 CA--C 1.549 0.942 0 C-N-CA 127.177 2.191 . . . . 0.0 114.906 -168.05 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.596 0 N-CA-C 118.429 2.132 . . . . 0.0 118.429 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 . . . . . 0 N--CA 1.475 0.789 0 O-C-N 121.155 -1.203 . . . . 0.0 112.327 170.02 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ASP . . . . . 0.565 ' OD1' HG22 ' A' ' 109' ' ' VAL . 3.4 m-20 . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -135.91 -17.7 1.64 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.46 12.24 2.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.542 1.537 . . . . 0.0 113.803 -176.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -135.99 57.05 1.8 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.837 2.055 . . . . 0.0 109.481 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.5 t -119.33 157.2 28.6 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.005 1.322 . . . . 0.0 111.591 -173.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.1 tp -99.36 117.29 33.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 167.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 111.43 17.94 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.222 1.01 . . . . 0.0 109.818 160.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.538 0.493 0 C-N-CA 124.493 1.117 . . . . 0.0 110.256 165.833 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 122.027 0.917 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.85 -36.3 72.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.026 1.33 . . . . 0.0 112.391 175.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.05 -48.85 57.68 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 123.703 0.668 . . . . 0.0 113.334 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.3 -33.06 69.37 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.527 -0.984 . . . . 0.0 113.138 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.45 -41.67 98.91 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.986 0.812 . . . . 0.0 111.757 171.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.44 -35.25 77.06 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.169 0.895 . . . . 0.0 113.142 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.03 -43.21 93.16 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.526 0.73 . . . . 0.0 111.213 172.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -62.8 -49.69 73.94 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.473 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.32 -32.78 74.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 120.162 1.347 . . . . 0.0 113.135 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -64.06 -37.39 87.27 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.239 0.927 . . . . 0.0 111.718 167.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -67.66 -47.51 69.31 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.471 -0.775 . . . . 0.0 112.201 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -53.08 -44.23 67.37 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.727 1.211 . . . . 0.0 111.169 171.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.62 -56.79 10.3 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.23 -42.78 88.19 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.359 0.527 . . . . 0.0 111.509 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -74.96 -13.81 60.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.213 1.005 . . . . 0.0 113.464 176.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.53 -28.31 4.35 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -170.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.3 p -115.52 172.69 6.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 119.487 1.643 . . . . 0.0 113.317 -167.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.69 -46.06 80.47 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.05 -38.87 1.22 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 -174.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t 59.61 -34.51 0.06 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.253 2.221 . . . . 0.0 115.868 -163.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.18 -10.75 24.97 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -93.96 -10.26 34.31 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -71.32 144.17 50.04 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.188 0.904 . . . . 0.0 112.116 172.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -122.74 -37.83 2.71 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.906 1.682 . . . . 0.0 111.025 -171.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -143.05 169.68 17.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.71 0.767 . . . . 0.0 112.52 165.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -141.2 162.32 35.77 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.198 1.799 . . . . 0.0 111.262 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.66 HG11 HD23 ' B' ' 20' ' ' LEU . 8.9 p -138.05 141.55 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.011 1.324 . . . . 0.0 110.197 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.73 121.56 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.826 1.65 . . . . 0.0 108.289 -165.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp -118.13 111.21 18.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.005 1.722 . . . . 0.0 109.708 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.9 p -108.79 174.28 5.94 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.457 1.103 . . . . 0.0 112.367 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.71 164.13 0.15 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.396 -0.815 . . . . 0.0 110.996 160.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 62.1 31.89 17.66 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.587 1.155 . . . . 0.0 113.992 168.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 62.96 21.89 13.14 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.026 2.131 . . . . 0.0 113.55 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.7 124.57 24.33 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 168.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -142.05 123.15 14.61 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.246 1.818 . . . . 0.0 106.97 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -139.88 140.53 36.5 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.316 1.047 . . . . 0.0 110.231 -172.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -117.53 143.29 46.23 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.792 0.837 . . . . 0.0 111.593 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.0 t -143.02 127.21 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.512 1.925 . . . . 0.0 109.731 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -93.72 123.68 37.21 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.505 0.722 . . . . 0.0 109.455 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.8 mt -82.09 -10.28 59.25 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.199 1.4 . . . . 0.0 113.701 -171.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.65 -13.74 45.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.29 1.436 . . . . 0.0 114.236 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.8 p -147.1 155.95 46.96 Favored Pre-proline 0 C--O 1.238 0.46 0 C-N-CA 125.801 1.641 . . . . 0.0 110.513 -167.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -64.1 154.83 68.35 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.884 3.056 . . . . 0.0 112.056 169.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -62.6 162.37 10.64 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.945 1.298 . . . . 0.0 114.44 172.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.56 162.41 13.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.736 1.215 . . . . 0.0 111.7 161.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -58.66 -22.61 57.37 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.294 1.038 . . . . 0.0 113.741 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.46 -43.57 93.17 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.07 -1.019 . . . . 0.0 111.003 178.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -66.57 -34.49 78.02 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.143 0.977 . . . . 0.0 111.864 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -63.59 -11.37 24.33 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.148 0.979 . . . . 0.0 113.485 173.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -128.79 0.7 5.41 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.94 1.696 . . . . 0.0 114.132 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -91.04 120.44 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 120.759 1.618 . . . . 0.0 110.676 -175.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -77.12 101.47 6.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.746 1.618 . . . . 0.0 112.198 -172.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.5 mt -47.36 120.4 3.19 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.886 1.675 . . . . 0.0 112.281 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.75 -29.99 63.12 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.683 1.193 . . . . 0.0 114.029 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -151.12 -179.45 26.86 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.538 1.066 . . . . 0.0 114.944 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.44 152.46 45.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.594 1.158 . . . . 0.0 111.983 167.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.3 ttp -74.79 70.19 1.88 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.307 1.843 . . . . 0.0 113.872 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -59.0 -47.11 86.39 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -147.87 164.36 33.94 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.8 m -146.38 145.36 30.25 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.157 1.383 . . . . 0.0 109.612 171.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -134.34 147.23 50.51 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.111 0.965 . . . . 0.0 111.291 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -137.13 144.16 42.87 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.383 1.073 . . . . 0.0 112.354 -166.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.436 ' CZ ' HD13 ' B' ' 22' ' ' LEU . 50.4 m-85 -133.57 120.94 21.38 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.054 1.341 . . . . 0.0 109.465 -164.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -69.4 165.9 19.82 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.732 -0.605 . . . . 0.0 111.664 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -43.28 101.92 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.488 1.515 . . . . 0.0 112.997 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.89 -11.23 68.05 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.939 1.536 . . . . 0.0 116.939 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -63.37 165.09 8.09 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.402 2.101 . . . . 0.0 112.865 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -136.52 7.71 3.06 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.621 1.568 . . . . 0.0 113.054 168.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -135.63 136.26 40.85 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.89 -1.131 . . . . 0.0 109.462 163.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.46 126.99 31.2 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -165.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.1 t -81.41 -26.92 35.02 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.12 1.368 . . . . 0.0 113.662 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -131.21 137.53 48.97 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.705 1.202 . . . . 0.0 109.658 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.457 HG23 ' NE2' ' B' ' 13' ' ' HIS . 12.0 m -141.32 163.51 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 122.536 1.16 . . . . 0.0 112.661 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 mt -144.33 144.93 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 125.268 1.427 . . . . 0.0 107.678 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -121.86 161.91 21.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.749 1.22 . . . . 0.0 111.99 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.94 -166.52 28.14 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 115.224 -0.898 . . . . 0.0 113.82 -173.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -72.44 133.13 20.22 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.019 2.479 . . . . 0.0 111.245 -173.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.21 -23.77 0.88 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 126.514 2.007 . . . . 0.0 113.957 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 76.8 tttt 59.93 -23.77 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 128.292 2.637 . . . . 0.0 117.234 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -161.78 158.24 25.41 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.815 1.646 . . . . 0.0 110.248 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -86.65 -2.29 58.39 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 167.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 CA--C 1.541 0.633 0 O-C-N 120.427 -1.421 . . . . 0.0 112.403 -163.882 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.38 0 N-CA-C 114.502 0.561 . . . . 0.0 114.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.457 ' NE2' HG23 ' A' ' 109' ' ' VAL . 36.7 p-80 . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 123.022 1.392 . . . . 0.0 114.359 176.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -138.43 12.61 2.77 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -140.78 -25.53 0.75 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 125.873 1.669 . . . . 0.0 114.631 -171.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -127.98 22.57 6.21 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.839 2.456 . . . . 0.0 111.685 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -55.47 162.61 1.51 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.471 1.908 . . . . 0.0 112.741 161.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.66 HD23 HG11 ' A' ' 63' ' ' VAL . 25.0 tp -108.69 128.15 54.61 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 125.999 1.72 . . . . 0.0 107.224 164.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.38 140.63 29.84 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.059 0.944 . . . . 0.0 111.125 169.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.436 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 2.0 mp . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 128.222 2.609 . . . . 0.0 113.313 -174.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.6 p . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 121.063 0.458 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -38.76 63.31 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.76 61.14 Favored Glycine 0 CA--C 1.538 1.524 0 CA-C-N 119.368 0.985 . . . . 0.0 114.984 172.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.91 -41.21 71.55 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.337 1.069 . . . . 0.0 112.267 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.5 tp -63.07 -42.22 99.62 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.615 0.643 . . . . 0.0 111.939 174.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.47 -39.38 83.48 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.74 1.154 . . . . 0.0 112.753 174.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.12 -46.91 86.94 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.363 0.528 . . . . 0.0 110.676 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -61.86 -41.57 98.01 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 123.829 0.852 . . . . 0.0 112.881 174.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.86 -35.23 76.66 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.252 1.387 . . . . 0.0 112.832 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -69.8 -31.31 69.14 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.642 -0.662 . . . . 0.0 111.254 170.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.64 -47.75 77.38 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.503 166.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CD1' HG21 ' A' ' 110' ' ' ILE . 5.1 m-85 -55.07 -32.81 62.23 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.77 1.228 . . . . 0.0 113.281 176.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.75 -51.02 62.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.53 1.059 . . . . 0.0 113.521 171.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -67.77 -41.15 83.72 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.232 0.924 . . . . 0.0 112.185 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -64.1 -28.62 69.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.935 2.094 . . . . 0.0 113.65 174.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.92 -9.12 5.36 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 117.182 1.633 . . . . 0.0 117.182 -160.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.2 p -120.53 158.09 28.04 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.251 1.525 . . . . 0.0 112.178 175.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.42 -34.87 76.77 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.152 0.581 . . . . 0.0 111.354 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -147.58 113.93 5.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.016 1.327 . . . . 0.0 112.723 173.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.7 p -76.59 -17.21 59.32 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.12 6.61 3.33 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -171.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -107.1 -11.32 15.66 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.005 1.722 . . . . 0.0 113.782 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 90.9 m-85 -87.41 144.08 26.93 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.863 0.865 . . . . 0.0 111.753 -173.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -124.44 -28.71 3.59 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.161 0.984 . . . . 0.0 111.916 -170.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -152.19 171.22 18.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 122.157 0.98 . . . . 0.0 113.138 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -145.41 159.84 42.47 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 126.275 1.83 . . . . 0.0 111.515 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.635 HG11 HD23 ' B' ' 20' ' ' LEU . 10.4 p -146.88 137.77 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 125.3 1.44 . . . . 0.0 109.397 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.4 mt -126.19 129.46 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.735 1.614 . . . . 0.0 109.565 -160.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 mt -121.48 130.67 53.7 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.014 1.326 . . . . 0.0 110.836 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.5 p -121.5 174.92 6.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.694 1.198 . . . . 0.0 112.405 -172.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -54.27 167.42 0.31 Allowed 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.73 -0.607 . . . . 0.0 109.668 160.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 58.48 26.42 14.23 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.146 0.978 . . . . 0.0 112.455 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt 42.98 35.76 0.8 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 129.641 3.176 . . . . 0.0 115.947 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.83 143.26 48.59 Favored Glycine 0 CA--C 1.534 1.229 0 N-CA-C 112.313 -0.315 . . . . 0.0 112.313 169.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -141.63 130.81 23.41 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.113 2.165 . . . . 0.0 108.178 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -147.84 130.06 15.57 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.313 1.045 . . . . 0.0 110.827 -176.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 m -108.53 141.36 40.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.22 1.008 . . . . 0.0 110.47 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.3 t -142.94 124.02 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.89 1.276 . . . . 0.0 109.238 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -74.92 147.97 40.49 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.926 0.869 . . . . 0.0 112.06 171.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.07 -10.81 15.8 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.728 2.011 . . . . 0.0 113.083 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.3 -15.21 23.16 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.118 0.872 . . . . 0.0 113.003 165.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.9 p -147.19 159.66 41.8 Favored Pre-proline 0 C--O 1.239 0.548 0 C-N-CA 127.361 2.265 . . . . 0.0 109.832 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.87 156.94 40.74 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 123.36 2.706 . . . . 0.0 112.321 162.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -66.99 149.4 50.69 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.739 0.78 . . . . 0.0 112.92 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.23 150.94 33.0 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.361 1.064 . . . . 0.0 113.21 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -59.56 -22.93 62.43 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.076 -1.015 . . . . 0.0 113.358 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -61.13 -20.42 62.66 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.225 1.81 . . . . 0.0 113.405 171.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -118.2 -12.62 9.96 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.134 1.774 . . . . 0.0 113.773 -173.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -63.74 -22.67 67.02 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.667 -1.271 . . . . 0.0 114.093 -171.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -135.37 2.97 3.05 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.779 1.232 . . . . 0.0 113.352 -171.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.76 137.85 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.587 1.155 . . . . 0.0 111.442 -176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.64 126.99 33.41 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.83 0.824 . . . . 0.0 112.877 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.52 138.64 58.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.174 2.19 . . . . 0.0 112.853 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 mt -63.64 -21.95 66.64 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -172.51 -175.54 40.59 Favored Glycine 0 CA--C 1.527 0.817 0 CA-C-N 119.559 1.072 . . . . 0.0 113.784 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -58.5 141.14 52.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.407 1.483 . . . . 0.0 110.555 172.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 58.5 ttp -63.52 130.82 45.98 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.346 -0.846 . . . . 0.0 110.616 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -111.88 -38.48 4.81 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.338 0.517 . . . . 0.0 112.07 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -158.44 153.53 25.39 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.0 m -134.95 147.15 49.7 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.156 1.382 . . . . 0.0 109.102 171.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -127.96 137.59 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.812 1.645 . . . . 0.0 109.772 -174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -131.46 142.92 50.09 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.888 1.275 . . . . 0.0 111.918 -170.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -131.75 124.19 29.21 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 125.441 1.496 . . . . 0.0 108.503 -163.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -64.95 167.17 8.11 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.333 0.515 . . . . 0.0 111.282 170.881 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -36.93 112.08 0.18 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.653 1.581 . . . . 0.0 113.315 168.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.83 -1.12 85.07 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.562 1.553 . . . . 0.0 116.547 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -73.56 148.15 43.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.025 1.913 . . . . 0.0 113.38 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 72.4 p -126.2 3.62 7.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.26 1.424 . . . . 0.0 113.652 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -137.86 123.51 19.8 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.406 1.483 . . . . 0.0 107.745 165.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.3 p -54.71 158.75 2.47 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -169.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t -124.59 -17.52 5.95 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.327 1.451 . . . . 0.0 114.117 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -133.3 141.69 48.09 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.39 1.476 . . . . 0.0 107.745 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.421 HG23 ' NE2' ' B' ' 13' ' ' HIS . 3.1 m -146.24 153.39 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 124.989 1.316 . . . . 0.0 111.535 -171.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.42 HG21 ' CD1' ' A' ' 48' ' ' TYR . 4.7 mt -145.6 126.55 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -175.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -93.07 162.88 13.86 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.943 0.497 . . . . 0.0 110.3 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.16 167.25 28.97 Favored Glycine 0 CA--C 1.535 1.335 0 O-C-N 121.76 -0.588 . . . . 0.0 114.453 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.54 36.57 0.62 Allowed 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 124.538 3.492 . . . . 0.0 113.937 -166.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.95 -14.81 57.33 Favored Glycine 0 CA--C 1.533 1.217 0 O-C-N 121.07 -1.019 . . . . 0.0 113.583 173.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 53.71 -5.94 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 128.534 2.733 . . . . 0.0 117.743 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -175.1 160.47 2.74 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.851 2.46 . . . . 0.0 108.896 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -82.2 -19.93 38.81 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 121.228 -0.92 . . . . 0.0 112.057 163.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 126.211 1.804 . . . . 0.0 114.397 -170.019 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.136 0 N-CA-C 115.867 1.107 . . . . 0.0 115.867 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.421 ' NE2' HG23 ' A' ' 109' ' ' VAL . 40.5 p-80 . . . . . 0 N--CA 1.466 0.345 0 O-C-N 121.228 -1.16 . . . . 0.0 111.016 165.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 t0 . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 121.198 0.523 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -142.28 2.14 1.45 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.386 1.875 . . . . 0.0 112.557 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -90.57 -18.36 25.36 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -120.21 -0.07 10.55 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.039 1.335 . . . . 0.0 113.213 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -49.36 149.28 2.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.871 2.068 . . . . 0.0 114.57 -168.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.635 HD23 HG11 ' A' ' 63' ' ' VAL . 31.7 tp -92.28 117.22 29.68 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 167.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.5 85.98 4.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.642 2.377 . . . . 0.0 111.419 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 N--CA 1.473 0.719 0 C-N-CA 125.709 1.604 . . . . 0.0 111.261 178.146 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.684 0.754 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.55 -41.5 66.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.581 1.552 . . . . 0.0 112.835 -176.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.23 -39.12 94.16 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.964 0.792 . . . . 0.0 114.432 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -77.19 -36.69 54.74 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.724 -0.868 . . . . 0.0 111.551 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.32 -44.46 92.57 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 118.562 -0.732 . . . . 0.0 112.64 166.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -55.48 -42.65 74.66 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.111 1.364 . . . . 0.0 112.677 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.51 -36.73 85.16 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.057 -0.402 . . . . 0.0 111.169 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -69.48 -42.5 74.75 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.839 0.856 . . . . 0.0 111.966 172.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.47 -39.13 88.63 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.338 1.427 . . . . 0.0 113.521 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.9 mtt-85 -63.8 -31.17 72.27 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.443 0.565 . . . . 0.0 111.11 170.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.01 -41.93 70.25 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.709 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -58.68 -31.74 68.49 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 120.915 1.688 . . . . 0.0 113.019 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.85 -51.08 61.88 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.124 -0.985 . . . . 0.0 113.249 171.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.25 -44.98 86.42 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.641 0.655 . . . . 0.0 112.094 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -61.11 -27.05 68.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.842 1.657 . . . . 0.0 113.816 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.65 -3.89 8.32 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 116.66 1.424 . . . . 0.0 116.66 -161.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.8 p -132.62 156.93 46.02 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 120.395 2.098 . . . . 0.0 111.339 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -63.84 -31.28 72.4 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 117.469 -1.253 . . . . 0.0 113.501 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.85 -21.46 3.04 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 118.474 2.768 . . . . 0.0 118.474 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.6 p 41.59 32.34 0.24 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.15 -21.09 0.63 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -168.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -69.84 -18.39 63.44 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.536 1.934 . . . . 0.0 112.892 171.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.0 m-85 -77.97 151.35 33.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.767 2.027 . . . . 0.0 112.23 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -123.52 -28.58 3.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.033 0.933 . . . . 0.0 113.341 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -155.53 169.24 24.75 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.345 1.458 . . . . 0.0 111.977 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -145.99 156.51 43.54 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.225 1.81 . . . . 0.0 110.855 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.631 HG11 HD23 ' B' ' 20' ' ' LEU . 11.5 p -143.59 142.11 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.401 1.08 . . . . 0.0 110.055 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.0 mt -127.42 124.92 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 125.37 1.468 . . . . 0.0 107.505 -163.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.6 mt -118.55 129.13 55.17 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.506 0.722 . . . . 0.0 109.685 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.5 p -119.14 171.36 8.33 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.952 -169.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.97 159.83 1.09 Allowed 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.694 -0.629 . . . . 0.0 109.672 160.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 65.82 33.61 7.96 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.344 1.058 . . . . 0.0 113.554 170.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 61.51 38.06 16.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.889 2.076 . . . . 0.0 113.935 170.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.93 141.07 18.32 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 123.714 0.673 . . . . 0.0 113.6 171.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -139.59 128.48 23.47 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 128.452 2.701 . . . . 0.0 106.848 170.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.54 134.87 31.23 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.897 0.879 . . . . 0.0 110.304 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.0 t -122.25 139.54 53.66 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.498 1.119 . . . . 0.0 111.495 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.6 t -144.22 131.92 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.364 1.466 . . . . 0.0 110.296 -173.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -81.23 138.59 35.78 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 122.032 0.92 . . . . 0.0 111.921 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.5 mt -90.12 -14.0 34.58 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.975 1.71 . . . . 0.0 111.902 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -55.75 -28.45 55.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.974 1.31 . . . . 0.0 112.857 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.1 p -148.86 169.34 9.31 Favored Pre-proline 0 CA--C 1.54 0.592 0 C-N-CA 127.492 2.317 . . . . 0.0 109.77 -171.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -70.26 151.41 66.22 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 123.016 2.477 . . . . 0.0 111.301 164.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -76.53 155.24 33.88 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.783 0.801 . . . . 0.0 112.929 173.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.17 143.7 57.56 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.455 1.102 . . . . 0.0 112.409 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -57.05 -35.03 68.85 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 120.468 -1.395 . . . . 0.0 114.128 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -71.49 -13.96 61.97 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.918 -1.114 . . . . 0.0 112.885 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -96.19 -33.47 12.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.049 1.74 . . . . 0.0 111.548 168.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -56.38 -41.21 75.87 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 120.148 1.34 . . . . 0.0 111.665 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -83.71 -3.51 57.85 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 p -79.39 139.89 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.683 1.583 . . . . 0.0 110.527 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -81.22 137.91 35.83 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.188 0.994 . . . . 0.0 112.41 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.7 132.01 44.75 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.396 1.878 . . . . 0.0 110.691 174.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.8 -30.65 65.86 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -162.86 -172.25 30.1 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.79 1.186 . . . . 0.0 113.032 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -65.42 151.33 46.58 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.183 1.393 . . . . 0.0 113.071 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 36.6 ttp -70.07 69.45 0.34 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.109 2.163 . . . . 0.0 113.802 -174.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.26 -48.57 45.72 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.243 1.017 . . . . 0.0 112.387 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.52 ' HE2' ' CE2' ' A' ' 97' ' ' TYR . 63.4 tttt -163.88 156.11 17.28 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -139.39 149.94 44.71 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.853 1.661 . . . . 0.0 109.708 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.52 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 4.4 m-85 -133.69 150.24 51.53 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.616 1.566 . . . . 0.0 111.784 -174.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -141.49 145.47 35.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.597 1.159 . . . . 0.0 112.683 -168.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.43 ' HE1' HG12 ' A' ' 63' ' ' VAL . 31.0 m-85 -135.88 128.83 31.34 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.256 1.422 . . . . 0.0 110.005 -163.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -69.44 162.22 27.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.688 0.795 . . . . 0.0 111.253 171.723 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -44.51 109.43 0.16 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.521 1.528 . . . . 0.0 112.113 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.71 -6.39 70.33 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.016 1.293 . . . . 0.0 116.303 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -76.12 154.46 35.48 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.189 1.995 . . . . 0.0 113.465 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 m -135.47 12.65 3.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.976 2.51 . . . . 0.0 112.481 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -142.25 130.94 22.71 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.939 2.096 . . . . 0.0 107.865 163.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -61.7 163.38 7.33 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -169.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.3 t -127.68 -15.14 5.03 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.503 1.521 . . . . 0.0 113.093 173.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -139.13 134.78 33.31 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.843 1.657 . . . . 0.0 108.346 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.478 HG23 ' NE2' ' B' ' 13' ' ' HIS . 16.1 m -142.96 160.84 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.829 1.251 . . . . 0.0 111.98 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.3 mt -146.0 130.93 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -172.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -96.51 167.08 11.37 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.458 0.703 . . . . 0.0 110.761 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.03 -166.25 21.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 121.871 -0.518 . . . . 0.0 113.311 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -68.81 124.38 11.41 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.146 2.564 . . . . 0.0 110.461 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 148.82 126.39 1.52 Allowed Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.763 2.125 . . . . 0.0 108.929 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -99.3 -21.82 15.88 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -165.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -167.11 150.22 6.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.481 1.513 . . . . 0.0 108.576 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -71.74 -23.19 61.57 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.595 -0.691 . . . . 0.0 112.262 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -168.299 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.55 0 N-CA-C 115.64 1.016 . . . . 0.0 115.64 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.478 ' NE2' HG23 ' A' ' 109' ' ' VAL . 33.4 p-80 . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 122.836 1.303 . . . . 0.0 112.942 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -136.59 -11.28 1.84 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.555 1.142 . . . . 0.0 114.002 167.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.61 -8.69 0.56 Allowed 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 172.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -87.91 4.59 44.21 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.905 0.775 . . . . 0.0 112.715 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -54.04 163.18 0.81 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.012 2.125 . . . . 0.0 115.718 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.631 HD23 HG11 ' A' ' 63' ' ' VAL . 52.3 tp -110.1 126.93 54.55 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.802 1.641 . . . . 0.0 106.788 160.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -82.45 121.59 26.94 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 125.386 1.474 . . . . 0.0 110.311 166.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 125.62 1.568 . . . . 0.0 110.505 170.357 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 121.649 0.738 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -39.62 79.88 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -168.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.32 -47.18 92.09 Favored Glycine 0 N--CA 1.476 1.307 0 CA-C-N 119.965 1.257 . . . . 0.0 114.923 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -62.23 -40.11 95.06 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 117.89 0.845 . . . . 0.0 111.483 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.48 -48.85 73.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.694 0.798 . . . . 0.0 112.337 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.1 -42.03 80.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.629 1.572 . . . . 0.0 112.651 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.67 -32.85 74.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.855 0.462 . . . . 0.0 112.143 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -69.56 -50.74 41.84 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.282 0.633 . . . . 0.0 110.755 169.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.01 -38.44 86.09 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.5 1.52 . . . . 0.0 113.748 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -61.63 -36.82 81.87 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.537 0.608 . . . . 0.0 111.075 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -70.97 -33.29 70.3 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.102 -0.951 . . . . 0.0 113.399 172.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -56.21 -40.07 73.46 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.249 1.386 . . . . 0.0 112.908 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.81 -42.11 98.6 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.133 0.879 . . . . 0.0 112.474 176.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -67.67 -41.09 84.3 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.481 1.037 . . . . 0.0 112.179 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -69.49 -15.65 63.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.54 1.936 . . . . 0.0 114.456 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.01 -38.9 0.44 Allowed Glycine 0 CA--C 1.536 1.398 0 N-CA-C 115.897 1.119 . . . . 0.0 115.897 -164.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.8 p -99.89 167.73 10.33 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.822 1.311 . . . . 0.0 113.067 -172.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -74.78 -31.24 61.7 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.216 1.007 . . . . 0.0 112.711 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -154.41 115.88 4.12 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.313 2.245 . . . . 0.0 111.807 172.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.0 p -74.65 -17.64 60.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.57 -13.11 59.75 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -168.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -75.13 -17.22 60.46 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.213 1.005 . . . . 0.0 113.16 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 97.2 m-85 -79.5 152.03 30.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.706 1.202 . . . . 0.0 112.199 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -134.38 -38.74 0.84 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.472 1.109 . . . . 0.0 112.404 -168.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -144.7 172.46 12.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 166.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -143.6 155.84 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.971 1.708 . . . . 0.0 110.963 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.633 HG11 HD23 ' B' ' 20' ' ' LEU . 12.6 p -140.09 136.85 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.145 1.378 . . . . 0.0 109.957 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.6 mt -119.38 123.12 70.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 125.567 1.547 . . . . 0.0 107.604 -164.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.38 114.81 27.14 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.998 0.919 . . . . 0.0 109.595 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.9 p -101.8 168.54 9.38 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.46 0.648 . . . . 0.0 111.163 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -56.24 165.05 1.12 Allowed 'General case' 0 CA--C 1.551 1.008 0 O-C-N 121.332 -0.855 . . . . 0.0 110.15 160.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 62.33 32.72 16.86 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.382 1.073 . . . . 0.0 113.107 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt 53.7 23.92 3.98 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 128.206 2.602 . . . . 0.0 116.142 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.12 138.69 48.61 Favored Glycine 0 CA--C 1.534 1.274 0 O-C-N 121.453 -0.779 . . . . 0.0 112.302 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -145.27 120.74 10.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.338 2.255 . . . . 0.0 107.128 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -139.24 142.36 37.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.881 1.272 . . . . 0.0 109.093 -176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 t -134.92 138.14 43.8 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.884 1.22 . . . . 0.0 112.064 -175.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.3 t -143.01 121.19 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.703 1.201 . . . . 0.0 110.549 -168.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -68.92 127.29 32.57 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.669 0.747 . . . . 0.0 111.003 167.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.5 mt -78.43 -23.51 46.61 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.191 1.796 . . . . 0.0 112.089 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -56.08 -19.81 14.62 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.696 1.598 . . . . 0.0 114.108 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.9 p -137.76 157.59 73.17 Favored Pre-proline 0 C--O 1.24 0.57 0 C-N-CA 125.766 1.626 . . . . 0.0 109.965 -175.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.86 145.2 73.79 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.505 2.136 . . . . 0.0 110.649 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.08 132.31 47.02 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.334 1.053 . . . . 0.0 111.335 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.82 143.06 56.9 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -62.31 -26.3 68.35 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 -167.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.55 -39.0 65.05 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.011 -1.056 . . . . 0.0 112.111 170.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -69.45 -29.64 67.38 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.204 1.402 . . . . 0.0 111.337 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -56.71 -22.87 38.29 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.761 0.824 . . . . 0.0 113.029 169.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -124.17 22.34 8.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.359 1.464 . . . . 0.0 112.461 -166.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 p -96.67 136.1 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.589 0.756 . . . . 0.0 110.863 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -67.39 146.74 53.74 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.767 1.227 . . . . 0.0 112.847 176.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.88 146.02 26.35 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.151 1.38 . . . . 0.0 111.499 174.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.77 -23.32 52.95 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.309 1.444 . . . . 0.0 114.811 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.26 -177.02 37.37 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.412 1.006 . . . . 0.0 111.921 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -60.94 147.0 44.8 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.043 1.337 . . . . 0.0 112.727 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.01 62.72 0.05 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.803 2.441 . . . . 0.0 113.717 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.433 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 9.0 t80 -56.27 -46.99 79.45 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.003 -1.06 . . . . 0.0 112.15 -175.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.433 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 29.1 pttt -160.28 166.77 28.9 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 166.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.7 m -134.08 148.02 50.96 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.754 2.022 . . . . 0.0 109.633 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -123.63 151.5 42.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.7 1.6 . . . . 0.0 111.57 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -138.6 146.65 42.03 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 125.341 1.456 . . . . 0.0 111.345 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.422 ' HE1' HG12 ' A' ' 63' ' ' VAL . 30.5 m-85 -133.68 131.93 40.07 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 125.125 1.37 . . . . 0.0 109.58 -167.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -72.08 166.27 22.61 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 172.263 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -47.01 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.517 1.927 . . . . 0.0 111.886 173.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.21 -3.79 47.88 Favored Glycine 0 CA--C 1.542 1.759 0 C-N-CA 125.779 1.657 . . . . 0.0 117.157 177.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -72.78 163.58 27.89 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.917 1.859 . . . . 0.0 113.982 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.0 p -144.26 11.57 1.53 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.26 1.824 . . . . 0.0 114.338 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -143.32 134.68 26.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.621 1.968 . . . . 0.0 106.968 160.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -59.59 163.98 3.86 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -166.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.8 t -126.76 -16.86 5.11 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 169.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -131.95 143.58 50.21 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.299 1.04 . . . . 0.0 109.962 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.44 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -151.03 152.38 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.723 0 C-N-CA 125.147 1.379 . . . . 0.0 111.461 -176.699 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.9 mt -143.02 136.22 25.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -166.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -103.38 161.05 14.17 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.075 1.35 . . . . 0.0 111.013 -174.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -161.94 -161.15 11.59 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.727 -0.485 . . . . 0.0 113.65 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -61.82 135.34 55.37 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.511 2.141 . . . . 0.0 109.808 172.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.74 161.49 11.16 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 127.863 2.649 . . . . 0.0 110.209 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -139.3 -9.26 1.28 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -173.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t -166.04 149.88 7.79 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.8 1.24 . . . . 0.0 110.12 173.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -71.69 -27.66 63.19 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.512 -0.742 . . . . 0.0 112.115 169.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 CA--C 1.548 0.872 0 C-N-CA 125.847 1.659 . . . . 0.0 113.409 -173.916 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.454 0 CA-C-O 120.06 -0.3 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.44 ' NE2' HG13 ' A' ' 109' ' ' VAL . 46.9 p-80 . . . . . 0 N--CA 1.466 0.374 0 CA-C-N 118.506 1.153 . . . . 0.0 113.927 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 115.043 1.498 . . . . 0.0 115.043 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -135.9 27.21 3.28 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.08 1.752 . . . . 0.0 112.249 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -169.72 -38.29 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.388 1.475 . . . . 0.0 114.272 -174.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -67.84 -27.96 67.15 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.708 0.803 . . . . 0.0 112.67 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.5 t -42.35 144.06 0.55 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.929 2.092 . . . . 0.0 116.463 -163.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.633 HD23 HG11 ' A' ' 63' ' ' VAL . 53.4 tp -95.55 125.63 40.29 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.621 1.168 . . . . 0.0 108.667 165.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.7 119.99 23.39 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.883 2.473 . . . . 0.0 111.605 166.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 CA--C 1.55 0.969 0 C-N-CA 128.155 2.582 . . . . 0.0 111.367 169.508 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.4 p . . . . . 0 N--CA 1.472 0.654 0 CA-C-O 121.41 0.624 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -38.52 63.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.793 0.837 . . . . 0.0 112.551 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.94 -36.46 51.01 Favored Glycine 0 CA--C 1.54 1.617 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -69.22 -31.25 69.7 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 118.826 1.313 . . . . 0.0 112.546 176.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 tt -84.66 -44.72 13.17 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.503 1.521 . . . . 0.0 111.715 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.57 -42.7 67.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.578 1.551 . . . . 0.0 112.582 173.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -65.73 -33.56 76.15 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.85 -0.531 . . . . 0.0 111.233 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -72.98 -41.85 63.91 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.635 -0.666 . . . . 0.0 111.319 172.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.51 -38.13 88.73 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 120.085 1.311 . . . . 0.0 113.721 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -61.05 -23.59 65.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.586 1.154 . . . . 0.0 111.891 169.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -87.3 -33.71 19.13 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 169.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -54.03 -44.84 71.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 121.293 1.861 . . . . 0.0 114.021 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.82 -43.37 98.98 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.502 -0.748 . . . . 0.0 112.009 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -66.5 -39.33 88.65 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.52 1.054 . . . . 0.0 112.345 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -64.5 -31.02 72.06 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.188 1.795 . . . . 0.0 113.479 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.23 -28.54 1.0 Allowed Glycine 0 CA--C 1.536 1.357 0 N-CA-C 117.06 1.584 . . . . 0.0 117.06 -160.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.493 HG22 ' CE1' ' A' ' 108' ' ' TYR . 43.8 p -86.42 172.46 10.36 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.783 1.791 . . . . 0.0 111.497 177.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -80.34 -28.23 38.17 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.811 -0.556 . . . . 0.0 112.454 167.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -152.9 118.12 5.2 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.414 1.886 . . . . 0.0 112.061 171.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.1 t -81.19 -18.51 45.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.08 1.352 . . . . 0.0 114.184 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.79 -8.43 48.15 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -171.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -87.2 -16.01 36.57 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.939 -1.101 . . . . 0.0 113.716 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 99.3 m-85 -83.34 146.23 28.61 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.397 0.999 . . . . 0.0 112.183 -173.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -115.15 -28.03 7.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.784 0.833 . . . . 0.0 113.058 -173.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -160.81 175.25 12.78 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.824 1.65 . . . . 0.0 112.06 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -154.37 159.82 41.35 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.217 1.807 . . . . 0.0 112.621 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.652 HG11 HD23 ' B' ' 20' ' ' LEU . 9.3 p -148.48 148.95 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.873 1.269 . . . . 0.0 110.074 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.6 mt -130.61 136.36 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 125.845 1.658 . . . . 0.0 108.829 -166.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -118.35 129.17 55.28 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.651 1.58 . . . . 0.0 108.584 172.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p -121.17 164.99 16.03 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 122.479 1.133 . . . . 0.0 112.585 -173.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.64 163.98 3.92 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.583 160.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 52.65 31.98 11.11 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.263 1.425 . . . . 0.0 113.935 -166.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 60.03 28.67 18.23 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.822 2.449 . . . . 0.0 115.398 168.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.06 155.42 42.39 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 114.503 0.561 . . . . 0.0 114.503 174.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -142.26 134.38 27.49 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.72 2.408 . . . . 0.0 108.351 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -144.53 141.76 29.73 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.134 0.974 . . . . 0.0 110.529 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 t -135.03 132.05 37.8 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.687 1.195 . . . . 0.0 110.028 -172.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.4 t -145.86 140.87 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.509 1.124 . . . . 0.0 110.383 -171.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -89.73 149.13 22.88 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 122.08 0.943 . . . . 0.0 112.794 175.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.56 -18.2 13.79 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.388 2.275 . . . . 0.0 111.868 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -58.57 -15.67 12.42 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.315 1.046 . . . . 0.0 113.504 164.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -142.42 147.55 43.66 Favored Pre-proline 0 C--O 1.239 0.523 0 C-N-CA 125.526 1.53 . . . . 0.0 110.415 -171.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.81 133.23 40.86 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.741 2.294 . . . . 0.0 109.857 159.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.68 145.39 47.25 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.434 0.561 . . . . 0.0 112.256 175.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.1 160.1 32.67 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.87 -31.3 71.56 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -171.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -69.12 -37.74 78.5 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.75 1.614 . . . . 0.0 111.213 171.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -69.65 -29.39 66.84 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.187 1.395 . . . . 0.0 111.181 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -63.25 -21.69 66.4 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 167.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -120.58 1.86 10.64 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.517 1.127 . . . . 0.0 113.889 -167.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.31 142.19 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 119.13 0.877 . . . . 0.0 111.934 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -61.19 151.98 30.01 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -176.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.9 mt -117.83 119.13 33.95 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.262 1.825 . . . . 0.0 110.747 175.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.51 -28.51 70.0 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.93 -172.95 38.36 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 119.18 0.9 . . . . 0.0 114.013 -177.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -67.27 149.97 49.68 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.459 1.504 . . . . 0.0 112.091 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 38.5 ttp -74.01 66.38 1.19 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.485 1.914 . . . . 0.0 114.653 -173.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.84 -55.32 10.02 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.885 1.274 . . . . 0.0 114.332 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -150.25 154.58 38.17 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.621 1.101 . . . . 0.0 112.468 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 m -140.99 149.75 42.18 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.49 1.116 . . . . 0.0 110.218 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -135.96 148.75 48.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.35 1.06 . . . . 0.0 111.309 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -143.66 147.97 35.1 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.362 1.465 . . . . 0.0 111.795 -170.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -138.55 135.36 34.97 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.677 1.191 . . . . 0.0 110.115 -162.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 31.8 mttt -75.17 168.06 20.71 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -59.43 74.69 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 128.721 2.808 . . . . 0.0 114.444 175.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.36 26.62 0.73 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.528 2.013 . . . . 0.0 114.008 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -139.11 143.39 38.23 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.538 1.669 . . . . 0.0 112.442 -169.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.9 m -139.55 28.88 2.18 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.41 1.084 . . . . 0.0 112.316 175.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -146.56 119.84 8.95 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 160.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -48.61 159.41 0.23 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -160.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 t -124.24 -14.44 6.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.876 1.271 . . . . 0.0 112.586 168.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.493 ' CE1' HG22 ' A' ' 53' ' ' THR . 38.1 t80 -136.52 136.13 39.11 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.618 1.167 . . . . 0.0 108.65 177.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.473 HG23 ' NE2' ' B' ' 13' ' ' HIS . 20.1 m -140.68 160.04 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 124.631 1.172 . . . . 0.0 111.531 178.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.4 mt -141.99 133.79 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -165.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -98.96 111.6 23.95 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.41 -171.95 23.04 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.93 120.33 6.98 Favored 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.421 2.081 . . . . 0.0 109.384 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.7 135.52 2.99 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 126.807 2.146 . . . . 0.0 110.187 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -110.81 -21.63 11.96 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -166.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -165.11 167.6 18.08 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.023 1.729 . . . . 0.0 108.883 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -80.73 -17.62 50.42 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.961 -1.087 . . . . 0.0 113.455 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 117.813 2.523 . . . . 0.0 117.813 -163.388 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.28 0 N-CA-C 113.68 0.232 . . . . 0.0 113.68 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.473 ' NE2' HG23 ' A' ' 109' ' ' VAL . 36.1 p-80 . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 122.25 1.024 . . . . 0.0 112.21 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -147.27 35.68 0.9 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.327 0.651 . . . . 0.0 112.427 165.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -160.27 -27.63 0.06 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 -174.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.77 -23.19 21.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.964 0.906 . . . . 0.0 112.002 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -39.49 134.79 1.2 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 -160.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.652 HD23 HG11 ' A' ' 63' ' ' VAL . 47.2 tp -92.83 141.47 28.4 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.161 1.785 . . . . 0.0 107.636 166.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.58 142.09 35.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.69 1.196 . . . . 0.0 112.177 173.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 128.382 2.673 . . . . 0.0 114.124 -168.517 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.5 mt -51.74 -32.42 30.52 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-O 117.71 -1.138 . . . . 0.0 113.57 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.9 -37.1 52.34 Favored Glycine 0 CA--C 1.538 1.47 0 CA-C-N 120.39 1.45 . . . . 0.0 114.449 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -86.02 -38.46 17.86 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.846 1.323 . . . . 0.0 114.33 175.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.08 -39.5 90.14 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -59.32 -43.05 92.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.323 1.849 . . . . 0.0 113.009 171.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.63 -40.19 91.01 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.025 0.53 . . . . 0.0 111.013 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -64.67 -47.96 76.49 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.849 1.26 . . . . 0.0 112.417 171.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -66.29 -38.15 87.09 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.57 1.077 . . . . 0.0 113.372 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -61.25 -35.62 77.75 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.01 0.924 . . . . 0.0 110.74 171.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -70.56 -41.48 72.38 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -54.23 -31.23 52.76 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.51 -53.58 33.5 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.25 0.932 . . . . 0.0 112.517 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -63.09 -40.22 97.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.825 0.739 . . . . 0.0 112.072 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -77.87 -11.97 59.94 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.558 2.343 . . . . 0.0 115.215 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -135.41 -10.52 1.45 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 116.151 1.22 . . . . 0.0 116.151 -168.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.0 p -114.45 154.96 27.24 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.138 1.469 . . . . 0.0 111.414 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -65.39 -30.17 70.96 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.672 -0.643 . . . . 0.0 111.879 173.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -149.38 111.26 4.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.373 1.469 . . . . 0.0 112.035 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.7 t -70.69 -27.78 64.27 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.251 1.42 . . . . 0.0 114.219 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.8 -7.46 27.89 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -170.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -84.76 -15.69 44.16 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.824 -1.172 . . . . 0.0 112.872 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 89.4 m-85 -85.97 152.06 23.24 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.266 0.939 . . . . 0.0 113.176 -173.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -135.94 -36.73 0.75 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.893 1.277 . . . . 0.0 112.607 -166.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -149.07 172.37 14.88 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.993 0.917 . . . . 0.0 112.405 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -149.93 155.56 40.2 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 125.701 1.6 . . . . 0.0 111.47 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.01 133.52 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 125.948 1.699 . . . . 0.0 109.094 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.3 mt -124.2 132.29 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.168 1.387 . . . . 0.0 107.72 -162.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.2 mt -122.25 101.64 7.64 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.486 1.115 . . . . 0.0 109.131 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -90.5 174.03 7.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.112 0.965 . . . . 0.0 112.556 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -51.18 162.76 0.28 Allowed 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.813 -1.179 . . . . 0.0 110.44 160.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 61.12 34.8 18.88 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.321 1.048 . . . . 0.0 112.856 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 53.89 24.81 4.79 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.665 2.386 . . . . 0.0 114.341 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.78 83.33 0.16 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.593 1.092 . . . . 0.0 112.815 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -77.12 134.91 38.57 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 162.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -143.31 149.02 37.23 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.634 1.574 . . . . 0.0 109.941 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 t -134.97 136.65 42.38 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.786 0.721 . . . . 0.0 111.901 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.5 t -144.19 134.04 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.96 1.304 . . . . 0.0 110.66 -166.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -95.01 113.79 25.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 122.228 1.013 . . . . 0.0 111.191 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.67 -16.63 64.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.194 1.798 . . . . 0.0 111.987 170.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -63.32 -13.45 39.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.445 1.498 . . . . 0.0 114.623 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 64.6 p -146.26 158.82 47.11 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 125.053 1.341 . . . . 0.0 111.53 -172.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.27 154.83 17.52 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 124.314 3.343 . . . . 0.0 113.956 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.28 124.64 20.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.385 1.074 . . . . 0.0 112.26 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.29 133.78 49.31 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.678 1.191 . . . . 0.0 112.62 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.45 -23.59 62.82 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -67.45 -38.81 85.06 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.885 -1.134 . . . . 0.0 111.264 173.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -72.32 -24.08 61.26 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.319 -0.863 . . . . 0.0 112.609 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -64.4 -8.64 14.03 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.585 1.154 . . . . 0.0 113.945 166.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -132.81 -11.16 3.04 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -171.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.09 128.85 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.125 1.37 . . . . 0.0 111.54 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -74.57 136.89 42.08 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.318 -0.864 . . . . 0.0 112.671 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -70.72 106.31 3.5 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.504 1.521 . . . . 0.0 112.095 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.4 mt -56.62 -28.12 59.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.51 1.524 . . . . 0.0 114.961 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -172.84 179.86 44.03 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.255 0.931 . . . . 0.0 113.475 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -70.43 152.56 43.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.997 0.919 . . . . 0.0 113.2 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 36.4 ttp -72.7 60.79 0.51 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 128.042 2.537 . . . . 0.0 115.063 -169.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -53.42 -45.92 69.57 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -151.38 149.24 29.08 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.504 -0.747 . . . . 0.0 111.609 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.0 m -138.24 150.9 47.15 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.295 1.038 . . . . 0.0 110.303 169.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.413 ' CD2' ' CG1' ' A' ' 109' ' ' VAL . 3.9 m-85 -132.88 151.26 52.06 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.334 1.854 . . . . 0.0 111.056 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -143.14 143.48 31.83 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.207 1.403 . . . . 0.0 112.797 -165.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -126.88 134.44 50.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.026 1.33 . . . . 0.0 111.651 -169.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 28.3 mttt -70.48 163.28 27.14 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.399 0.68 . . . . 0.0 112.725 173.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -69.02 52.26 0.09 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.999 2.52 . . . . 0.0 114.249 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.33 41.23 0.02 OUTLIER Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.893 2.187 . . . . 0.0 110.856 -173.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -152.18 149.96 29.32 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.02 0.91 . . . . 0.0 112.801 -167.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.8 m -139.54 12.89 2.54 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.579 2.351 . . . . 0.0 111.987 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -139.49 116.46 10.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.515 1.526 . . . . 0.0 109.313 166.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.75 118.63 10.56 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -161.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.2 t -77.86 -23.76 48.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.447 1.499 . . . . 0.0 114.955 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.433 ' CE2' HD11 ' A' ' 110' ' ' ILE . 64.7 t80 -124.47 145.16 49.68 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.641 0.777 . . . . 0.0 110.125 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.608 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -152.42 155.59 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.584 1.554 . . . . 0.0 111.606 -170.155 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.433 HD11 ' CE2' ' A' ' 108' ' ' TYR . 5.1 mt -145.25 145.89 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 O-C-N 121.284 -0.885 . . . . 0.0 109.868 -169.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -107.62 144.37 34.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.572 1.149 . . . . 0.0 111.296 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.16 -177.67 28.67 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 116.505 -0.316 . . . . 0.0 113.133 174.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.82 138.53 34.63 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.122 2.548 . . . . 0.0 111.379 -177.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.05 -19.73 0.18 Allowed Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.643 2.068 . . . . 0.0 114.197 173.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm 56.12 -21.46 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 129.069 2.948 . . . . 0.0 117.828 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -168.94 152.96 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.272 1.829 . . . . 0.0 109.806 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -82.75 -22.53 34.33 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.742 -0.599 . . . . 0.0 111.794 167.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 CA--C 1.547 0.834 0 O-C-N 120.832 -1.168 . . . . 0.0 112.349 -176.401 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.335 0 N-CA-C 117.68 1.832 . . . . 0.0 117.68 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.608 ' CD2' HG23 ' A' ' 109' ' ' VAL . 41.1 p-80 . . . . . 0 N--CA 1.465 0.321 0 C-N-CA 126.906 2.082 . . . . 0.0 110.333 171.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 121.688 0.756 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -143.3 5.3 1.45 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.561 1.944 . . . . 0.0 113.098 -173.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -141.7 -26.15 0.68 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.963 1.705 . . . . 0.0 113.266 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -102.2 61.77 0.86 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.018 1.327 . . . . 0.0 110.711 165.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.5 t -115.18 161.38 18.5 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.952 2.501 . . . . 0.0 110.371 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -103.72 101.54 11.37 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 171.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.3 102.08 14.8 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.57 1.948 . . . . 0.0 110.933 -177.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 127.821 2.448 . . . . 0.0 114.09 179.411 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.63 -35.38 70.41 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 117.633 -1.175 . . . . 0.0 113.624 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.74 -50.57 60.14 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 120.846 1.657 . . . . 0.0 112.913 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.96 -33.9 64.06 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.812 1.645 . . . . 0.0 112.435 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tp -71.81 -44.81 63.28 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.502 0.592 . . . . 0.0 112.045 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.7 -40.68 84.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.65 1.58 . . . . 0.0 112.156 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -64.46 -43.74 93.27 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.636 0.374 . . . . 0.0 110.392 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -65.79 -42.79 90.32 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.757 -0.639 . . . . 0.0 112.309 174.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.0 -37.94 82.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.175 1.39 . . . . 0.0 113.688 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -62.69 -33.08 74.35 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.71 170.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -71.72 -44.57 63.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 118.07 -0.966 . . . . 0.0 113.544 168.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -55.44 -30.95 61.46 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.61 1.55 . . . . 0.0 112.456 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.38 -48.0 74.42 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 120.87 -1.144 . . . . 0.0 113.89 172.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -70.31 -43.3 70.62 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.78 0.718 . . . . 0.0 112.012 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -57.93 -37.14 73.56 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.782 1.233 . . . . 0.0 113.149 171.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.79 -2.73 25.38 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 116.507 1.363 . . . . 0.0 116.507 -160.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.9 p -122.14 158.94 28.22 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.332 1.566 . . . . 0.0 112.57 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -68.62 -29.2 67.65 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -157.53 100.98 1.82 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.475 2.31 . . . . 0.0 111.6 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 p -65.51 -21.56 66.63 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.7 -23.12 62.87 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -172.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -77.62 -14.31 59.67 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.491 1.116 . . . . 0.0 113.249 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -84.96 144.49 28.29 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.261 0.937 . . . . 0.0 113.111 -173.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -129.8 -30.91 2.0 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.114 1.366 . . . . 0.0 112.89 -165.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -151.35 175.04 12.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 122.234 1.016 . . . . 0.0 111.9 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -150.0 159.4 44.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.138 -1.847 . . . . 0.0 111.169 174.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.61 HG11 HD23 ' B' ' 20' ' ' LEU . 11.2 p -141.79 136.99 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 124.703 1.201 . . . . 0.0 109.555 175.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.4 mt -119.9 124.04 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.656 1.582 . . . . 0.0 107.589 -163.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -118.89 130.42 55.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.845 1.258 . . . . 0.0 110.166 -176.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.2 p -124.38 171.41 9.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.838 0.855 . . . . 0.0 112.078 -172.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -51.66 163.37 0.31 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 120.875 0.369 . . . . 0.0 110.183 160.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 60.67 33.04 20.36 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.454 1.102 . . . . 0.0 113.051 175.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 53.85 31.01 12.38 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.125 2.57 . . . . 0.0 114.83 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.03 139.29 38.1 Favored Glycine 0 CA--C 1.537 1.412 0 O-C-N 121.781 -0.574 . . . . 0.0 112.876 167.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -148.97 123.8 9.93 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 128.371 2.669 . . . . 0.0 107.287 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -143.28 116.71 9.09 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.936 0.894 . . . . 0.0 109.753 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 t -101.72 139.51 37.27 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 119.103 0.865 . . . . 0.0 111.55 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -142.9 119.53 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.366 1.867 . . . . 0.0 109.537 -167.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -77.11 138.02 39.27 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.02 0.914 . . . . 0.0 111.329 172.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.1 mt -95.94 -14.8 22.81 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.384 1.874 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -66.29 -8.97 28.33 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.064 1.346 . . . . 0.0 113.144 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.8 p -135.85 152.83 76.54 Favored Pre-proline 0 C--O 1.241 0.615 0 C-N-CA 126.29 1.836 . . . . 0.0 110.975 -169.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.83 153.01 78.11 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.43 2.753 . . . . 0.0 111.862 166.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -69.28 135.99 51.25 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.634 -0.666 . . . . 0.0 112.18 171.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.36 130.08 44.35 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.752 -0.593 . . . . 0.0 111.241 163.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.73 -21.84 63.38 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -167.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.89 -20.29 65.89 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.575 1.534 . . . . 0.0 112.71 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.43 -26.78 66.98 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.839 1.256 . . . . 0.0 112.185 169.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -70.02 -15.72 63.06 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.317 -0.864 . . . . 0.0 112.866 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -105.99 -24.36 12.43 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.36 115.52 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 119.734 1.152 . . . . 0.0 110.997 -175.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.12 133.06 42.8 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.446 -0.784 . . . . 0.0 109.942 168.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.58 150.68 48.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.978 1.311 . . . . 0.0 111.598 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.09 -27.58 68.17 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.936 0.894 . . . . 0.0 113.067 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.33 -173.97 35.26 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.455 1.026 . . . . 0.0 113.666 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -67.53 146.74 53.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.124 0.97 . . . . 0.0 111.158 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 52.3 ttp -60.21 112.73 2.03 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.462 1.105 . . . . 0.0 111.046 176.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -85.56 -55.36 4.03 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.328 0.513 . . . . 0.0 109.948 169.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -147.91 154.74 40.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.215 0.606 . . . . 0.0 112.583 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.0 m -125.1 142.74 51.3 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 124.378 1.071 . . . . 0.0 108.965 164.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -126.76 133.19 50.9 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.625 1.57 . . . . 0.0 108.284 -172.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -131.46 143.33 50.35 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.159 1.384 . . . . 0.0 111.71 -167.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -134.22 136.49 43.71 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.482 0.713 . . . . 0.0 111.265 -167.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -66.85 165.25 15.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.892 0.877 . . . . 0.0 112.62 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -51.85 110.85 0.51 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.178 1.791 . . . . 0.0 110.536 170.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.0 -1.17 73.75 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 115.735 1.054 . . . . 0.0 115.735 -176.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -96.88 145.08 26.21 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.346 1.573 . . . . 0.0 112.15 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.3 m -138.62 30.59 2.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.439 1.496 . . . . 0.0 111.827 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -143.45 112.0 6.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.36 1.464 . . . . 0.0 108.339 160.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 96.5 p -57.8 106.46 0.36 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -163.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.0 t -67.73 -20.78 65.29 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -126.3 142.11 51.65 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.598 1.159 . . . . 0.0 110.41 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.483 HG23 ' NE2' ' B' ' 13' ' ' HIS . 1.7 m -147.83 154.72 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.748 1.619 . . . . 0.0 112.006 -176.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.4 mt -147.27 136.44 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 124.397 1.079 . . . . 0.0 108.317 -177.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -116.07 152.54 33.4 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.376 0.607 . . . . 0.0 110.883 -168.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.06 177.71 22.55 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.064 1.316 . . . . 0.0 113.162 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -80.29 40.05 0.92 Allowed 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 124.109 3.206 . . . . 0.0 114.239 -167.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.5 -25.68 17.74 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 120.208 -1.557 . . . . 0.0 114.582 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? 61.3 -27.09 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.59 2.356 . . . . 0.0 116.844 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -165.92 163.23 18.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.812 2.045 . . . . 0.0 109.709 -177.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -89.59 -17.91 27.58 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.493 -0.754 . . . . 0.0 113.027 165.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 125.31 1.444 . . . . 0.0 113.345 -164.804 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.862 0 N-CA-C 116.96 1.544 . . . . 0.0 116.96 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.483 ' NE2' HG23 ' A' ' 109' ' ' VAL . 37.6 p-80 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 122.307 1.051 . . . . 0.0 111.653 167.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 121.334 0.588 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -131.56 -19.12 2.73 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.842 1.257 . . . . 0.0 113.79 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.32 -19.43 8.28 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -97.35 2.29 50.41 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.628 0.771 . . . . 0.0 112.638 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 t -52.86 159.35 1.15 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.713 2.405 . . . . 0.0 115.207 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.61 HD23 HG11 ' A' ' 63' ' ' VAL . 52.7 tp -100.94 120.53 40.3 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 160.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -95.75 85.9 4.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.57 2.348 . . . . 0.0 111.296 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 CA--C 1.538 0.502 0 C-N-CA 126.92 2.088 . . . . 0.0 112.672 -179.74 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 122.099 0.952 . . . . 0.0 113.258 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.18 -36.45 75.35 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.552 1.141 . . . . 0.0 112.832 -171.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.28 -35.93 44.13 Favored Glycine 0 CA--C 1.54 1.614 0 CA-C-N 119.296 0.953 . . . . 0.0 115.078 177.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -71.27 -43.74 66.59 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.342 1.071 . . . . 0.0 111.982 176.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -65.93 -39.77 90.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.194 0.998 . . . . 0.0 112.534 175.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.02 -39.03 71.32 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.333 1.453 . . . . 0.0 112.508 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.88 -42.47 94.79 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.961 -0.462 . . . . 0.0 111.995 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -61.23 -48.04 83.33 Favored 'General case' 0 C--O 1.222 -0.358 0 O-C-N 121.687 -0.633 . . . . 0.0 111.134 172.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.94 -34.64 73.69 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.877 -1.14 . . . . 0.0 113.95 -175.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.4 mtt-85 -66.4 -30.03 70.32 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.069 0.85 . . . . 0.0 112.004 168.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -70.3 -45.77 65.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.741 -0.647 . . . . 0.0 112.67 166.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -55.26 -40.68 71.24 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.781 1.173 . . . . 0.0 113.437 -176.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.99 -42.78 89.37 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.955 1.252 . . . . 0.0 113.037 173.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -68.84 -43.73 74.9 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.46 1.482 . . . . 0.0 112.287 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -65.89 -21.36 66.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.835 1.654 . . . . 0.0 113.809 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.05 -41.52 0.55 Allowed Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.548 1.379 . . . . 0.0 116.548 -163.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.4 p -88.71 159.04 17.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.075 1.437 . . . . 0.0 111.598 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -71.08 -33.23 70.03 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.375 -0.828 . . . . 0.0 112.324 172.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -148.64 117.56 6.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.604 1.562 . . . . 0.0 112.161 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.9 p -72.78 -26.3 61.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.822 1.649 . . . . 0.0 114.554 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.03 5.31 3.44 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -168.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -97.01 -19.53 18.69 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.575 -1.328 . . . . 0.0 112.294 170.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 96.4 m-85 -76.4 149.85 36.86 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.977 0.911 . . . . 0.0 111.259 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.68 -30.52 4.16 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -174.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -155.86 168.18 28.02 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.458 1.503 . . . . 0.0 111.196 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -136.78 155.32 49.98 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 126.78 2.032 . . . . 0.0 110.625 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.616 HG11 HD23 ' B' ' 20' ' ' LEU . 14.5 p -138.06 125.94 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 124.51 1.124 . . . . 0.0 110.179 172.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mp -106.18 135.42 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.557 1.543 . . . . 0.0 108.97 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.6 mt -116.68 125.64 52.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.288 1.435 . . . . 0.0 108.802 173.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.2 p -118.38 172.38 7.5 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.228 0.611 . . . . 0.0 112.042 -170.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.16 169.26 0.18 Allowed 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.596 -0.69 . . . . 0.0 111.106 160.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 53.87 31.39 13.13 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.44 1.096 . . . . 0.0 112.85 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.6 mttt 66.85 17.09 10.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.358 2.263 . . . . 0.0 114.775 169.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.92 150.81 50.86 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 123.478 0.561 . . . . 0.0 114.163 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -148.95 130.77 15.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.324 2.25 . . . . 0.0 108.561 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -146.53 120.86 9.6 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.781 -1.104 . . . . 0.0 110.89 -173.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.8 t -113.22 134.88 54.37 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 119.963 1.256 . . . . 0.0 112.623 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.7 t -145.36 125.29 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.266 1.426 . . . . 0.0 110.76 -170.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -71.52 140.58 49.97 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.513 -0.742 . . . . 0.0 111.98 170.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.55 -15.92 15.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.44 1.896 . . . . 0.0 113.61 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -70.58 -2.14 13.28 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 171.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 p -138.24 152.9 72.5 Favored Pre-proline 0 C--O 1.24 0.591 0 C-N-CA 127.878 2.471 . . . . 0.0 109.272 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.32 150.01 77.37 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.715 2.277 . . . . 0.0 110.89 161.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -70.45 143.74 51.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.631 -0.668 . . . . 0.0 111.312 171.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.06 155.25 24.53 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -50.25 -33.98 21.52 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -69.92 -39.32 76.23 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.81 -1.181 . . . . 0.0 111.665 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -78.66 -25.58 44.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.771 1.629 . . . . 0.0 113.306 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -54.94 -22.83 16.33 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.79 0.836 . . . . 0.0 112.096 166.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -127.89 13.55 6.83 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.402 1.881 . . . . 0.0 113.445 -168.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -76.61 139.12 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.992 -1.068 . . . . 0.0 110.483 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -72.92 149.01 43.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.921 0.888 . . . . 0.0 112.684 -169.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.2 mt -105.25 117.7 34.67 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.004 1.322 . . . . 0.0 112.244 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.82 -31.46 72.44 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.871 1.668 . . . . 0.0 114.0 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.91 169.55 34.66 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.419 1.009 . . . . 0.0 114.755 -172.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -59.27 153.22 19.09 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.868 1.667 . . . . 0.0 111.926 166.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.1 ttp -74.87 69.77 1.89 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.882 1.673 . . . . 0.0 113.085 -172.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -58.64 -42.2 87.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -159.25 153.24 23.38 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.043 -1.036 . . . . 0.0 113.095 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.8 m -135.7 150.14 49.46 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.665 1.186 . . . . 0.0 111.02 172.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -128.4 146.94 50.64 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.283 1.833 . . . . 0.0 110.881 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.02 145.29 39.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.243 1.417 . . . . 0.0 111.949 -173.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.42 ' HE1' HG12 ' A' ' 63' ' ' VAL . 21.1 m-85 -126.58 135.35 51.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.473 1.109 . . . . 0.0 110.748 -164.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 36.5 mttt -73.21 154.18 40.35 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.834 0.743 . . . . 0.0 111.611 171.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -53.33 111.4 0.69 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.84 1.256 . . . . 0.0 113.219 -173.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.82 -15.95 47.81 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 126.66 2.076 . . . . 0.0 115.569 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.41 163.22 21.81 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.353 1.576 . . . . 0.0 113.32 -173.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.8 p -135.84 21.47 3.3 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 175.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -139.43 136.78 35.0 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.54 1.936 . . . . 0.0 107.559 164.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.5 p -66.84 160.01 26.95 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -171.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 t -125.04 -17.65 5.7 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.365 1.466 . . . . 0.0 112.437 173.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -128.64 146.97 50.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.602 0.761 . . . . 0.0 109.998 172.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.468 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -154.54 146.55 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 C-N-CA 124.843 1.257 . . . . 0.0 111.518 -170.815 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.3 mt -143.97 110.3 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -166.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -76.65 149.85 36.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.926 0.89 . . . . 0.0 108.98 174.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.66 -173.95 26.74 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 114.567 0.587 . . . . 0.0 114.567 -175.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -68.35 125.39 12.83 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.267 2.645 . . . . 0.0 112.169 -174.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.98 -19.94 0.14 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.63 1.11 . . . . 0.0 115.632 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.6 tttt 62.3 -35.04 0.12 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 129.247 3.019 . . . . 0.0 116.416 -174.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -162.91 155.73 19.17 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.242 1.817 . . . . 0.0 109.274 -170.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -81.92 -27.28 33.42 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 174.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 117.569 2.433 . . . . 0.0 117.569 -162.18 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.164 0 N-CA-C 113.923 0.329 . . . . 0.0 113.923 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.468 ' NE2' HG13 ' A' ' 109' ' ' VAL . 35.5 p-80 . . . . . 0 N--CA 1.467 0.411 0 O-C-N 121.433 -1.039 . . . . 0.0 111.66 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 120.975 0.417 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -132.45 -7.46 3.3 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.692 1.997 . . . . 0.0 114.55 -174.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -121.05 -33.1 3.8 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.388 1.475 . . . . 0.0 112.036 172.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.94 72.88 10.01 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.823 1.297 . . . . 0.0 108.279 160.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -134.57 148.69 50.52 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.495 1.518 . . . . 0.0 110.378 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.616 HD23 HG11 ' A' ' 63' ' ' VAL . 60.0 tp -93.1 121.03 34.03 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 163.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.86 110.42 19.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 122.271 1.034 . . . . 0.0 109.66 162.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 CA--C 1.544 0.748 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.451 169.934 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 121.62 0.724 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.36 -38.88 85.22 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -167.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.52 -27.98 66.5 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 121.662 -0.649 . . . . 0.0 113.59 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -85.97 -25.78 25.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.11 0.964 . . . . 0.0 111.873 174.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 tp -68.1 -42.95 79.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.781 0.833 . . . . 0.0 111.813 163.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.8 -37.46 66.1 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.635 1.174 . . . . 0.0 112.89 174.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.63 -36.82 83.49 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.649 -0.657 . . . . 0.0 112.254 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -63.92 -55.97 18.7 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.638 -0.664 . . . . 0.0 110.353 166.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.9 mt -57.84 -34.32 69.58 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -176.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -68.75 -32.47 72.26 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.574 1.149 . . . . 0.0 112.34 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -71.09 -44.52 65.51 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.054 0.843 . . . . 0.0 110.96 169.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -60.55 -28.11 68.19 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.688 1.595 . . . . 0.0 112.007 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.42 -55.7 9.57 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.624 -1.298 . . . . 0.0 113.358 169.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -65.0 -41.13 95.67 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.192 0.906 . . . . 0.0 112.637 -177.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -79.65 -15.53 57.42 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.436 1.494 . . . . 0.0 111.949 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.91 -42.84 2.03 Favored Glycine 0 CA--C 1.527 0.802 0 O-C-N 121.531 -0.731 . . . . 0.0 114.855 -176.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 p -99.57 158.31 15.84 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.97 1.308 . . . . 0.0 111.726 -173.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -68.63 -31.83 71.26 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.697 -0.627 . . . . 0.0 112.59 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -153.02 116.32 4.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.581 1.552 . . . . 0.0 110.621 169.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.4 p -80.47 -17.13 52.58 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.98 -17.45 64.93 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -173.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -70.48 -22.55 62.65 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.213 1.005 . . . . 0.0 112.659 174.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 89.1 m-85 -79.35 142.49 36.0 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.061 0.944 . . . . 0.0 112.495 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -124.52 -34.83 2.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.095 1.358 . . . . 0.0 111.053 -171.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -147.99 174.94 11.4 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 122.295 1.045 . . . . 0.0 113.414 168.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -144.99 162.08 37.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 126.648 1.979 . . . . 0.0 110.861 175.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.608 HG11 HD23 ' B' ' 20' ' ' LEU . 10.0 p -138.0 124.75 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 C-N-CA 124.405 1.082 . . . . 0.0 109.953 174.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -96.97 123.51 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 124.831 1.252 . . . . 0.0 108.72 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.5 mp -105.98 109.38 21.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.265 1.826 . . . . 0.0 108.638 174.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.9 p -102.83 170.22 8.13 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.56 0.695 . . . . 0.0 110.533 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -56.05 163.75 1.45 Allowed 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.581 -0.699 . . . . 0.0 111.747 162.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 59.45 38.47 22.66 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt 70.56 21.08 5.61 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.697 1.999 . . . . 0.0 114.495 170.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.71 135.75 20.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.216 -0.928 . . . . 0.0 112.719 172.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -146.83 111.76 5.37 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.344 2.258 . . . . 0.0 105.96 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -131.34 107.91 9.28 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 110.706 -169.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -85.85 137.34 32.84 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.276 0.63 . . . . 0.0 110.932 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -142.92 118.2 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.303 1.441 . . . . 0.0 109.962 -172.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -82.42 125.78 31.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.49 0.662 . . . . 0.0 110.179 176.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.2 mt -82.68 -19.24 38.52 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.396 1.478 . . . . 0.0 113.023 -174.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -70.05 -5.09 24.25 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -175.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.8 p -145.83 156.1 51.88 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.775 1.23 . . . . 0.0 110.487 -171.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.53 163.21 38.11 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.65 3.566 . . . . 0.0 113.122 172.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.508 HD21 ' HE3' ' A' ' 85' ' ' LYS . 1.1 pt? -106.13 158.01 17.14 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -176.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.12 154.67 33.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.842 2.057 . . . . 0.0 113.231 165.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.91 -25.12 63.13 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.095 -1.003 . . . . 0.0 113.323 173.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.0 -42.38 72.42 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.222 1.009 . . . . 0.0 111.538 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -72.76 -39.07 67.09 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.938 1.295 . . . . 0.0 111.62 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.508 ' HE3' HD21 ' A' ' 80' ' ' LEU . 96.6 mttt -58.89 -14.4 8.95 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 170.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -122.65 -13.45 7.94 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.557 1.143 . . . . 0.0 113.942 -169.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.3 128.67 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.757 1.162 . . . . 0.0 110.189 -176.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.63 121.11 18.21 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.358 0.599 . . . . 0.0 111.156 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.61 140.51 58.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.143 0.577 . . . . 0.0 109.79 168.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.22 -22.73 66.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.689 1.196 . . . . 0.0 113.718 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.12 -172.14 37.02 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.863 1.221 . . . . 0.0 112.881 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -68.56 148.86 49.92 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.143 1.377 . . . . 0.0 113.297 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 30.4 ttp -68.52 66.68 0.12 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.981 2.113 . . . . 0.0 114.81 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -48.85 -48.69 41.67 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.95 1.3 . . . . 0.0 114.021 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -149.35 161.63 41.67 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.334 1.054 . . . . 0.0 113.293 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.7 m -135.53 141.8 45.29 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.456 1.103 . . . . 0.0 110.147 160.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -118.52 142.5 47.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.153 1.781 . . . . 0.0 109.68 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -132.28 145.88 51.6 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.299 1.44 . . . . 0.0 112.131 -168.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -134.56 127.45 31.32 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 125.425 1.49 . . . . 0.0 109.552 -164.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -65.96 168.36 8.28 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.358 0.599 . . . . 0.0 111.963 173.867 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -46.33 107.98 0.12 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.73 1.612 . . . . 0.0 111.378 163.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.52 47.93 5.8 Favored Glycine 0 CA--C 1.543 1.788 0 N-CA-C 116.358 1.303 . . . . 0.0 116.358 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -128.98 163.6 24.99 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.498 1.649 . . . . 0.0 114.053 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.1 t -149.75 22.96 0.89 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.601 1.96 . . . . 0.0 112.617 174.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -151.72 133.71 15.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.859 1.663 . . . . 0.0 107.156 163.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.9 p -59.31 158.3 9.49 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 122.482 1.134 . . . . 0.0 114.024 -170.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.1 m -124.29 -14.97 6.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 113.53 -1.668 . . . . 0.0 112.556 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -142.24 144.63 33.42 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.053 1.741 . . . . 0.0 108.588 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.423 HG13 ' CD2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -152.76 155.55 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.889 1.276 . . . . 0.0 111.712 -175.558 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -138.28 129.41 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 123.8 0.84 . . . . 0.0 108.87 -172.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -89.27 138.3 31.55 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 123.964 0.906 . . . . 0.0 109.476 174.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.4 -175.22 16.3 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 123.332 0.491 . . . . 0.0 113.555 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -67.43 124.82 12.52 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.951 2.434 . . . . 0.0 110.929 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 147.01 162.97 10.23 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 126.652 2.073 . . . . 0.0 109.833 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -141.6 -32.54 0.53 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -166.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -143.7 116.8 8.92 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.461 1.124 . . . . 0.0 113.554 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -70.28 -3.64 18.14 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.701 -1.25 . . . . 0.0 112.485 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 125.179 1.392 . . . . 0.0 113.234 -161.063 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.119 0 N-CA-C 118.451 2.141 . . . . 0.0 118.451 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.423 ' CD2' HG13 ' A' ' 109' ' ' VAL . 39.1 p-80 . . . . . 0 N--CA 1.461 0.092 0 C-N-CA 124.812 1.245 . . . . 0.0 111.441 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -135.56 -22.82 1.46 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.266 1.426 . . . . 0.0 114.023 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -136.08 -26.85 1.14 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.763 1.225 . . . . 0.0 114.098 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.93 -14.5 61.94 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -43.35 149.56 0.24 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.608 HD23 HG11 ' A' ' 63' ' ' VAL . 63.7 tp -94.44 112.32 24.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.162 160.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.9 132.46 45.27 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.809 1.644 . . . . 0.0 111.598 160.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 127.281 2.232 . . . . 0.0 113.986 -173.809 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 121.451 0.643 . . . . 0.0 111.706 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -34.34 69.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.791 0.836 . . . . 0.0 112.389 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -48.28 -35.12 14.13 Favored Glycine 0 CA--C 1.536 1.373 0 N-CA-C 115.714 1.046 . . . . 0.0 115.714 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -83.29 -36.7 24.28 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.27 1.035 . . . . 0.0 112.62 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.54 -39.7 81.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.295 0.638 . . . . 0.0 112.39 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.19 -41.71 68.86 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.457 1.103 . . . . 0.0 111.833 172.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.93 -28.65 67.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.468 1.107 . . . . 0.0 112.895 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -71.6 -55.86 6.97 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.575 -0.703 . . . . 0.0 110.725 166.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -66.65 -39.82 88.39 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -168.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -63.17 -33.91 76.48 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.317 0.962 . . . . 0.0 111.39 175.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -74.04 -39.73 63.34 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.841 -0.599 . . . . 0.0 112.057 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.14 -31.38 70.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.519 1.054 . . . . 0.0 113.217 172.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -48.32 81.82 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.833 -1.167 . . . . 0.0 112.897 171.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -65.42 -38.16 89.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.369 0.668 . . . . 0.0 112.394 176.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -75.48 -29.42 59.57 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.587 1.555 . . . . 0.0 114.611 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.24 -13.77 14.64 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 118.974 0.807 . . . . 0.0 115.098 -172.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.7 p -100.56 165.77 11.25 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.925 1.363 . . . . 0.0 112.383 169.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -71.61 -36.56 70.84 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.624 -0.673 . . . . 0.0 111.118 168.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -149.03 116.37 6.13 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.453 1.501 . . . . 0.0 112.746 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -75.91 -20.29 58.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.319 1.448 . . . . 0.0 114.152 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.21 -11.67 61.06 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -169.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -81.03 -12.41 59.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 0.0 113.486 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.444 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 84.3 m-85 -85.13 146.18 27.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.162 0.985 . . . . 0.0 112.707 -174.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -128.2 -27.5 2.7 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.005 1.322 . . . . 0.0 111.905 -166.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -153.33 171.63 18.29 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.709 0.803 . . . . 0.0 112.952 168.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -146.93 156.97 43.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.635 1.974 . . . . 0.0 111.632 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.68 HG11 HD23 ' B' ' 20' ' ' LEU . 12.1 p -146.51 143.23 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.023 1.329 . . . . 0.0 110.358 -176.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -128.44 128.26 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.725 1.21 . . . . 0.0 108.572 -160.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.2 mt -118.58 128.0 54.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.387 1.075 . . . . 0.0 109.821 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -119.11 175.6 5.7 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.327 0.651 . . . . 0.0 112.549 -173.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -52.64 164.1 0.39 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 160.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 57.68 31.85 21.01 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.288 1.035 . . . . 0.0 113.242 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 55.37 28.54 11.61 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.908 2.883 . . . . 0.0 115.407 174.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.56 140.3 34.9 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 117.807 0.276 . . . . 0.0 112.884 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -137.9 130.08 28.98 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.811 2.044 . . . . 0.0 108.976 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -143.16 142.53 31.49 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.679 1.191 . . . . 0.0 109.904 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.7 t -132.74 142.42 49.02 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.459 1.027 . . . . 0.0 112.359 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -144.21 123.88 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.178 1.391 . . . . 0.0 110.288 -168.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -75.22 140.35 43.19 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.231 1.015 . . . . 0.0 111.296 170.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.3 mt -95.11 0.37 54.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.687 1.595 . . . . 0.0 112.199 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -66.13 -17.73 64.9 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.157 0.983 . . . . 0.0 113.553 169.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -152.09 153.86 31.76 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 127.348 2.259 . . . . 0.0 109.745 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.45 153.0 79.34 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.197 3.264 . . . . 0.0 112.074 168.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.11 134.62 32.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.778 1.631 . . . . 0.0 113.613 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.67 150.66 48.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.767 1.227 . . . . 0.0 112.191 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -65.13 -35.47 81.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.786 -1.196 . . . . 0.0 113.239 -171.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.36 -10.03 56.09 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.67 -1.268 . . . . 0.0 112.899 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -109.71 -25.72 10.24 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.13 1.772 . . . . 0.0 112.697 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -54.93 -26.08 33.75 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.666 -1.271 . . . . 0.0 111.965 160.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -112.55 8.2 19.15 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.081 1.752 . . . . 0.0 115.012 -176.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.7 p -84.37 139.97 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 121.559 1.982 . . . . 0.0 111.879 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -60.01 154.29 19.42 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.871 1.268 . . . . 0.0 113.187 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.7 mt -113.12 129.18 56.59 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.846 1.258 . . . . 0.0 110.715 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.8 mt -72.81 -31.95 65.19 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.037 0.935 . . . . 0.0 113.422 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -160.13 176.84 36.78 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.19 0.9 . . . . 0.0 114.54 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -66.32 157.61 31.25 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.992 1.717 . . . . 0.0 112.435 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 ttp -70.58 64.39 0.29 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.562 2.745 . . . . 0.0 113.79 -172.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -61.71 -38.79 89.16 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.423 -1.423 . . . . 0.0 114.398 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.2 152.42 30.34 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.025 0.93 . . . . 0.0 111.979 -176.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -143.35 144.15 31.96 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.671 -1.268 . . . . 0.0 109.988 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -124.24 153.79 41.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.009 1.323 . . . . 0.0 111.866 175.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -143.2 149.07 37.48 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.747 1.619 . . . . 0.0 111.612 -171.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.418 ' HE1' HG12 ' A' ' 63' ' ' VAL . 15.9 m-85 -136.61 130.63 32.58 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.256 1.422 . . . . 0.0 109.059 -164.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 25.0 mttt -70.01 170.14 11.94 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.421 0.555 . . . . 0.0 111.086 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -53.12 123.02 10.61 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.933 -0.48 . . . . 0.0 111.487 170.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.56 36.87 18.71 Favored Glycine 0 CA--C 1.536 1.386 0 N-CA-C 115.431 0.932 . . . . 0.0 115.431 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -130.17 159.14 37.73 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.668 1.734 . . . . 0.0 113.816 -177.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.1 p -144.19 13.48 1.62 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.976 1.71 . . . . 0.0 114.071 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -140.7 138.37 34.19 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.752 1.621 . . . . 0.0 107.468 160.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.4 p -58.51 161.5 4.5 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -168.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.6 t -123.28 -19.09 6.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.127 1.371 . . . . 0.0 112.502 170.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -142.25 145.63 34.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 125.196 1.398 . . . . 0.0 109.355 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.78 155.9 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.459 1.504 . . . . 0.0 112.244 -173.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.4 HG12 ' CA ' ' B' ' 12' ' ' GLY . 58.2 mt -133.31 127.69 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -176.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -91.26 139.59 30.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.775 1.63 . . . . 0.0 108.806 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.0 -178.64 29.49 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 121.371 -0.831 . . . . 0.0 114.614 -175.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -71.21 133.0 22.04 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 123.303 2.669 . . . . 0.0 112.312 -173.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 164.54 -17.18 0.11 Allowed Glycine 0 CA--C 1.538 1.521 0 C-N-CA 126.006 1.765 . . . . 0.0 115.136 175.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.2 tptt 62.77 -22.72 0.05 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.438 2.295 . . . . 0.0 117.04 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -175.47 159.62 2.44 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.789 2.036 . . . . 0.0 109.116 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -81.67 -23.73 36.7 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.208 -0.933 . . . . 0.0 112.167 168.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 N--CA 1.477 0.882 0 C-N-CA 126.123 1.769 . . . . 0.0 114.316 -163.673 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 12' ' ' GLY . . . . . 0.4 ' CA ' HG12 ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.435 -1.393 0 N-CA-C 113.517 0.167 . . . . 0.0 113.517 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 122.374 1.083 . . . . 0.0 111.385 -173.859 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -144.55 21.28 1.68 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.073 1.349 . . . . 0.0 112.09 168.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -155.43 -11.83 0.11 Allowed 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 -162.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -120.32 -11.82 9.11 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.168 1.387 . . . . 0.0 112.776 178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -44.1 142.27 1.48 Allowed 'General case' 0 C--O 1.238 0.472 0 C-N-CA 127.861 2.464 . . . . 0.0 116.699 -170.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.68 HD23 HG11 ' A' ' 63' ' ' VAL . 48.2 tp -87.92 122.7 31.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.949 164.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -81.78 133.81 35.37 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.191 1.396 . . . . 0.0 111.678 162.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 CA--C 1.551 0.998 0 C-N-CA 129.196 2.998 . . . . 0.0 112.279 179.398 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.383 0.611 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -35.47 63.05 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.515 -0.755 . . . . 0.0 112.709 172.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.17 -53.47 46.04 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 119.964 1.256 . . . . 0.0 115.18 174.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -68.46 -39.68 81.35 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 117.954 0.877 . . . . 0.0 111.952 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.61 -46.55 88.63 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 168.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.64 -41.96 91.66 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.481 1.113 . . . . 0.0 112.209 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -58.76 -42.26 88.51 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.375 0.534 . . . . 0.0 110.635 176.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -62.84 -55.97 21.53 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.437 0.695 . . . . 0.0 111.088 171.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.5 mt -65.18 -39.45 92.9 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -172.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -73.06 -22.51 60.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.665 1.12 . . . . 0.0 113.15 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -70.85 -39.71 72.79 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 117.489 -1.243 . . . . 0.0 113.165 162.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -54.4 -42.87 70.92 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.857 1.662 . . . . 0.0 113.651 -175.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.16 -43.13 99.17 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.466 1.03 . . . . 0.0 113.05 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -68.24 -44.22 76.17 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.5 1.045 . . . . 0.0 111.8 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -64.0 -17.86 63.73 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.737 2.015 . . . . 0.0 114.04 172.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.23 -41.01 0.38 Allowed Glycine 0 CA--C 1.536 1.386 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 -161.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.427 HG22 ' CE1' ' A' ' 108' ' ' TYR . 43.9 p -93.78 162.55 13.88 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.766 1.626 . . . . 0.0 111.384 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.51 -33.36 69.16 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.42 -0.8 . . . . 0.0 113.004 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -153.05 89.27 1.36 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.369 2.268 . . . . 0.0 112.771 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -52.41 -29.68 25.49 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.889 2.076 . . . . 0.0 115.793 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.61 -20.47 60.72 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -168.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -70.91 -24.09 62.39 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.405 1.482 . . . . 0.0 113.692 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 86.4 m-85 -73.27 152.05 41.13 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.011 0.924 . . . . 0.0 111.476 -178.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.83 -30.37 2.27 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.062 -1.023 . . . . 0.0 113.514 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -148.56 170.52 17.9 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -138.28 159.9 40.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 126.453 1.901 . . . . 0.0 111.795 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.668 HG11 HD23 ' B' ' 20' ' ' LEU . 12.7 p -145.71 144.56 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.646 1.579 . . . . 0.0 110.325 176.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 mt -130.91 131.71 64.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 125.584 1.553 . . . . 0.0 108.014 -167.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.51 116.01 27.46 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.477 1.111 . . . . 0.0 108.348 173.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.0 p -104.25 171.08 7.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.331 0.653 . . . . 0.0 111.098 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.59 162.71 1.54 Allowed 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.317 -0.865 . . . . 0.0 111.39 161.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 63.08 40.46 9.06 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.769 1.227 . . . . 0.0 114.235 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.8 mttt 62.93 24.26 14.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.265 1.826 . . . . 0.0 114.638 170.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.59 138.76 21.44 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 121.68 0.6 . . . . 0.0 113.264 173.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -142.9 123.87 14.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.59 2.356 . . . . 0.0 107.043 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -140.04 143.01 36.16 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.942 0.897 . . . . 0.0 110.086 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t -141.75 144.4 33.99 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.441 1.018 . . . . 0.0 112.648 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.5 t -143.15 133.22 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.174 1.39 . . . . 0.0 109.812 -175.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -78.91 127.95 32.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.83 0.824 . . . . 0.0 110.328 166.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.2 mt -79.58 -9.61 59.65 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.944 1.697 . . . . 0.0 114.287 -172.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -68.03 -9.39 45.45 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.0 p -142.95 147.45 41.48 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 126.076 1.751 . . . . 0.0 110.304 -171.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.94 135.27 58.26 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.239 2.626 . . . . 0.0 110.842 161.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -74.8 158.04 34.13 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.45 151.24 32.77 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.038 1.335 . . . . 0.0 113.507 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.42 -20.53 64.58 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 -170.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.48 -46.37 80.03 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.343 1.428 . . . . 0.0 110.624 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -71.71 -22.59 61.61 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.34 1.056 . . . . 0.0 112.872 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.91 -21.22 60.81 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 169.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -128.01 12.21 6.65 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.547 1.539 . . . . 0.0 114.132 -173.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -83.52 131.85 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.637 1.108 . . . . 0.0 109.852 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -78.59 135.8 37.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.654 1.181 . . . . 0.0 112.488 -171.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.3 mt -80.81 131.79 35.43 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.906 1.682 . . . . 0.0 110.542 170.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.02 -25.88 67.22 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.86 -172.72 32.68 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.091 0.853 . . . . 0.0 114.163 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -68.84 152.87 44.74 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.697 1.999 . . . . 0.0 112.798 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 32.9 ttp -69.81 60.13 0.16 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.471 2.308 . . . . 0.0 114.686 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.484 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 15.7 t80 -51.34 -50.86 58.64 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.349 1.059 . . . . 0.0 113.602 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.484 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 15.0 ttpt -156.78 145.43 19.91 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 119.497 1.044 . . . . 0.0 112.953 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.7 m -132.22 150.68 52.1 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.074 1.35 . . . . 0.0 110.555 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -134.51 151.67 51.28 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.029 2.132 . . . . 0.0 111.862 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -145.82 146.05 31.01 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.656 1.183 . . . . 0.0 112.589 -169.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.416 ' HE1' HG12 ' A' ' 63' ' ' VAL . 14.1 m-85 -133.73 136.91 44.93 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.835 1.254 . . . . 0.0 110.945 -163.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -76.53 164.04 26.33 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.781 0.719 . . . . 0.0 111.526 174.184 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -47.67 112.2 0.52 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.793 1.237 . . . . 0.0 112.258 175.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.68 6.21 70.54 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.44 1.495 . . . . 0.0 115.398 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -90.2 164.87 14.25 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.476 1.638 . . . . 0.0 112.984 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.2 p -138.22 -4.07 1.72 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.416 1.886 . . . . 0.0 114.432 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -129.46 139.68 51.53 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.498 1.919 . . . . 0.0 108.329 166.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 t -67.18 156.53 36.0 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -170.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.5 t -122.99 -18.68 6.33 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.299 1.84 . . . . 0.0 113.66 173.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.427 ' CE1' HG22 ' A' ' 53' ' ' THR . 28.0 t80 -129.06 138.6 51.97 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.346 0.976 . . . . 0.0 109.909 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.524 HG23 ' NE2' ' B' ' 13' ' ' HIS . 0.9 OUTLIER -143.12 151.39 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 125.295 1.438 . . . . 0.0 110.808 -172.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.2 mt -144.14 124.48 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 -170.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -98.4 137.03 37.69 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.026 1.33 . . . . 0.0 109.225 -175.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.34 -176.52 23.43 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.46 0.552 . . . . 0.0 113.649 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.8 136.06 34.54 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.033 2.489 . . . . 0.0 111.772 -173.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 133.92 157.66 8.33 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 127.941 2.686 . . . . 0.0 109.074 -171.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -135.26 -28.31 1.16 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -171.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.1 t -146.5 128.11 15.15 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.294 1.406 . . . . 0.0 112.357 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -71.04 -4.79 26.83 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 172.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -169.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.593 0 CA-C-O 121.09 0.272 . . . . 0.0 113.665 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.524 ' NE2' HG23 ' A' ' 109' ' ' VAL . 37.3 p-80 . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 122.245 1.021 . . . . 0.0 111.868 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -126.84 -9.95 6.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.94 1.696 . . . . 0.0 114.508 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.84 -20.3 5.04 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -175.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -96.39 9.32 41.61 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.768 1.227 . . . . 0.0 112.11 171.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.1 t -57.14 165.7 1.28 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.805 2.042 . . . . 0.0 114.785 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.668 HD23 HG11 ' A' ' 63' ' ' VAL . 58.1 tp -110.07 142.47 41.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.445 1.898 . . . . 0.0 107.028 161.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.7 149.4 26.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 123.605 1.669 . . . . 0.0 112.397 162.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 112.301 -2.227 . . . . 0.0 112.113 -172.629 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.1 mt -57.81 -37.89 74.57 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.331 169.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.06 -43.07 62.15 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 119.808 1.185 . . . . 0.0 113.687 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -76.85 -39.08 52.42 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.923 1.289 . . . . 0.0 112.83 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.1 tp -73.09 -42.58 62.83 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -62.37 -41.25 98.47 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.986 1.715 . . . . 0.0 111.105 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.91 -39.32 93.9 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.37 -0.831 . . . . 0.0 111.862 171.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -55.82 -57.28 12.7 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.653 0.781 . . . . 0.0 110.807 170.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.77 -34.36 78.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.096 0.958 . . . . 0.0 113.305 -171.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mtt-85 -64.61 -34.03 77.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.305 0.642 . . . . 0.0 111.874 170.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -72.36 -40.49 67.3 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 172.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.23 -38.09 73.24 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.33 -50.94 71.63 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.886 -1.134 . . . . 0.0 112.785 172.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -58.71 -42.2 88.12 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.329 0.968 . . . . 0.0 111.976 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -65.02 -32.43 74.15 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 127.488 2.315 . . . . 0.0 114.564 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.05 -27.3 2.28 Favored Glycine 0 CA--C 1.538 1.508 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 -161.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.8 p -93.33 165.84 12.59 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.625 1.212 . . . . 0.0 113.447 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -73.51 -36.16 65.71 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.685 -0.634 . . . . 0.0 110.51 170.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -149.2 148.96 30.22 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.403 2.281 . . . . 0.0 110.3 171.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -105.64 -19.99 13.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.921 1.688 . . . . 0.0 113.448 176.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.97 -24.59 67.78 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 -168.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.7 pm0 -79.72 -17.94 52.4 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.018 1.727 . . . . 0.0 112.773 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -73.65 153.67 40.04 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 122.128 0.966 . . . . 0.0 111.407 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -131.3 -40.67 1.12 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.598 1.559 . . . . 0.0 111.576 -171.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HD2' HG23 ' A' ' 73' ' ' THR . 15.9 pttt -144.88 171.9 13.78 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.845 0.831 . . . . 0.0 113.189 174.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -136.6 164.0 29.24 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 125.947 1.699 . . . . 0.0 111.138 167.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.548 HG11 HD23 ' B' ' 20' ' ' LEU . 5.5 p -138.1 130.35 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 125.257 1.423 . . . . 0.0 109.408 172.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.3 mt -110.47 131.68 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 125.046 1.338 . . . . 0.0 107.864 -170.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.7 mt -115.34 108.07 16.06 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.287 1.035 . . . . 0.0 109.786 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.1 p -100.59 167.57 10.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.823 0.849 . . . . 0.0 111.853 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -52.63 159.64 1.03 Allowed 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.132 -0.98 . . . . 0.0 111.229 160.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 60.35 42.41 14.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.317 1.047 . . . . 0.0 113.307 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt 63.82 13.19 7.31 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.452 2.301 . . . . 0.0 114.929 166.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.0 126.13 22.98 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.561 0.601 . . . . 0.0 112.077 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -128.81 110.99 12.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.402 1.881 . . . . 0.0 106.498 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -124.17 103.39 8.23 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.237 0.615 . . . . 0.0 110.872 -171.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.438 HG23 ' HD2' ' A' ' 61' ' ' LYS . 2.3 m -72.16 138.45 47.65 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.677 0.791 . . . . 0.0 110.208 167.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.5 t -138.71 126.36 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.019 1.327 . . . . 0.0 109.573 171.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -86.3 115.15 23.66 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.952 0.901 . . . . 0.0 110.067 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.87 -23.68 44.73 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.77 1.628 . . . . 0.0 112.645 -174.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -67.94 7.99 0.46 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 126.241 1.817 . . . . 0.0 114.579 175.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.86 142.46 17.9 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 126.985 2.114 . . . . 0.0 110.07 169.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -50.04 144.52 21.83 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 125.206 3.937 . . . . 0.0 113.163 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -55.96 141.19 40.54 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -174.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.01 118.48 7.89 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.85 0.46 . . . . 0.0 110.436 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.98 -19.36 61.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -171.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -65.18 -24.94 67.51 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.813 1.245 . . . . 0.0 113.3 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -58.76 -23.48 60.11 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.824 1.25 . . . . 0.0 112.592 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.18 -10.22 56.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.457 1.103 . . . . 0.0 113.262 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -126.21 -4.08 6.81 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.123 1.369 . . . . 0.0 113.87 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 p -80.86 146.01 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 120.852 -1.155 . . . . 0.0 110.897 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -77.83 156.41 30.46 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.53 1.132 . . . . 0.0 113.029 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.15 121.37 43.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.636 1.574 . . . . 0.0 109.414 170.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.2 mt -53.11 -30.7 38.0 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.599 1.56 . . . . 0.0 114.164 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.07 -172.53 35.15 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.576 1.084 . . . . 0.0 113.174 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -63.82 148.31 49.63 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.079 1.752 . . . . 0.0 114.223 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttt -66.68 64.48 0.05 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 128.327 2.651 . . . . 0.0 113.735 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -58.29 -49.02 78.63 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.412 -1.43 . . . . 0.0 113.26 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -156.88 158.65 37.1 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.3 m -141.0 148.18 39.89 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.606 1.562 . . . . 0.0 110.515 171.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -126.09 151.17 47.55 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.552 1.541 . . . . 0.0 111.847 174.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -132.18 151.22 51.91 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.032 1.333 . . . . 0.0 112.197 -170.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -140.48 130.89 25.27 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.148 0.979 . . . . 0.0 110.377 -166.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.33 176.99 8.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.039 1.336 . . . . 0.0 109.789 169.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -49.06 119.9 3.57 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.94 1.74 49.15 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 118.24 2.056 . . . . 0.0 118.24 172.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -64.93 160.1 21.39 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 120.876 2.338 . . . . 0.0 114.538 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 63.5 p -129.62 6.54 5.19 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.923 1.689 . . . . 0.0 114.348 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -140.34 136.52 33.28 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.749 -1.22 . . . . 0.0 109.568 161.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 t -70.22 157.39 37.75 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -130.63 7.06 4.81 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.449 2.299 . . . . 0.0 112.596 167.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -143.15 132.98 23.98 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.587 1.54 . . . . 0.0 111.144 170.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.406 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -147.97 153.01 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.607 0 C-N-CA 123.999 0.92 . . . . 0.0 111.626 -169.742 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.7 mt -142.72 137.91 27.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 124.077 0.951 . . . . 0.0 108.607 -164.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -108.29 156.14 19.71 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.189 1.396 . . . . 0.0 110.965 -170.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.61 -170.77 34.49 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -67.16 133.51 30.97 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 123.133 2.555 . . . . 0.0 111.159 -178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 149.27 156.29 7.12 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 127.944 2.688 . . . . 0.0 109.636 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -131.72 -26.3 2.02 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -165.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.4 t -156.34 142.18 17.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.395 1.078 . . . . 0.0 110.231 168.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -78.93 -18.37 53.94 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.508 -0.745 . . . . 0.0 111.828 168.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 115.329 1.604 . . . . 0.0 115.329 -174.311 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.923 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.406 ' NE2' HG13 ' A' ' 109' ' ' VAL . 33.2 p-80 . . . . . 0 CA--C 1.52 -0.173 0 C-N-CA 123.471 0.708 . . . . 0.0 112.643 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -140.89 21.13 2.31 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.148 0.979 . . . . 0.0 113.227 167.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -167.04 -35.7 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.252 1.421 . . . . 0.0 113.325 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -78.79 -8.91 59.21 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -173.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.3 t -39.09 166.35 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 131.096 3.758 . . . . 0.0 117.55 172.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.548 HD23 HG11 ' A' ' 63' ' ' VAL . 29.2 tp -103.28 117.65 34.98 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.506 1.522 . . . . 0.0 107.461 160.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -78.36 111.92 14.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.938 1.695 . . . . 0.0 110.429 162.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 127.723 2.409 . . . . 0.0 114.32 -172.264 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 p . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 121.718 0.77 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.09 -32.57 73.98 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -169.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.82 -40.22 33.65 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 119.085 0.857 . . . . 0.0 114.569 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -65.58 -37.93 88.06 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.18 0.99 . . . . 0.0 113.345 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -72.53 -39.21 67.7 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.16 0.584 . . . . 0.0 111.632 175.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.58 -40.57 75.45 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.355 0.98 . . . . 0.0 112.691 173.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -63.7 -47.06 82.66 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.106 0.562 . . . . 0.0 110.48 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -59.06 -46.07 89.19 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.23 1.012 . . . . 0.0 112.096 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.15 -40.79 78.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.836 1.254 . . . . 0.0 113.6 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -65.06 -26.87 68.43 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.406 173.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.72 -42.57 58.09 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 167.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -57.35 -28.68 63.35 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 172.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.76 -50.99 64.66 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 120.867 -1.145 . . . . 0.0 113.116 167.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -70.72 -34.98 72.48 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -175.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -68.39 -32.81 73.14 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.914 1.286 . . . . 0.0 113.339 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.43 -22.09 5.93 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 116.447 1.339 . . . . 0.0 116.447 -162.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.1 p -105.69 161.95 13.95 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.515 1.126 . . . . 0.0 112.715 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -64.16 -37.26 86.82 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.856 -0.527 . . . . 0.0 111.383 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -157.48 115.01 3.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.824 1.65 . . . . 0.0 112.903 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -61.73 -31.05 71.19 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.794 1.238 . . . . 0.0 114.2 170.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.8 -13.41 62.1 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -164.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -78.09 -19.25 54.56 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.505 1.048 . . . . 0.0 113.003 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 97.0 m-85 -78.95 150.15 32.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.939 0.896 . . . . 0.0 111.209 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -123.85 -29.43 3.68 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -176.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -151.04 172.24 16.05 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 122.078 0.942 . . . . 0.0 112.64 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -142.57 157.99 44.13 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.119 1.767 . . . . 0.0 111.13 177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.643 HG11 HD23 ' B' ' 20' ' ' LEU . 10.8 p -139.12 141.99 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.431 1.493 . . . . 0.0 109.306 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.2 mt -128.7 119.82 50.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -164.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -105.87 132.89 51.43 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.419 1.087 . . . . 0.0 108.755 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.2 p -118.58 168.26 10.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.641 0.776 . . . . 0.0 111.178 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.64 171.88 1.41 Allowed 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.681 -0.637 . . . . 0.0 110.389 160.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 56.52 32.74 21.36 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.659 1.183 . . . . 0.0 112.926 -177.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt 63.45 21.69 12.88 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 130.191 3.396 . . . . 0.0 117.538 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.0 152.25 41.87 Favored Glycine 0 CA--C 1.54 1.629 0 N-CA-C 115.746 1.058 . . . . 0.0 115.746 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -142.97 136.74 28.81 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 128.544 2.738 . . . . 0.0 107.286 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -146.03 144.45 30.08 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.95 1.3 . . . . 0.0 109.613 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -134.99 139.29 44.77 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 119.791 1.178 . . . . 0.0 112.965 -178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.0 t -146.46 126.31 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.689 1.196 . . . . 0.0 111.193 -171.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.05 139.12 52.58 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.849 0.86 . . . . 0.0 112.236 169.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.6 mt -93.83 -14.0 26.64 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.328 2.251 . . . . 0.0 112.864 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -66.56 -12.47 57.92 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.379 -0.826 . . . . 0.0 112.762 170.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.8 p -145.69 146.75 30.41 Favored Pre-proline 0 C--O 1.238 0.461 0 C-N-CA 126.274 1.83 . . . . 0.0 110.489 -166.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.71 144.35 99.53 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.74 2.294 . . . . 0.0 110.879 163.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -68.48 131.24 44.93 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.785 0.72 . . . . 0.0 111.756 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.18 163.07 8.66 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -173.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.76 -34.54 53.53 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 -170.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -78.2 -36.0 47.84 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.884 -1.135 . . . . 0.0 111.831 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.22 -26.85 65.01 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.635 1.574 . . . . 0.0 111.746 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -59.32 -29.59 67.75 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.255 1.022 . . . . 0.0 112.733 170.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -127.67 5.99 6.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.727 1.211 . . . . 0.0 114.081 -164.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.8 p -57.88 141.32 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.754 1.222 . . . . 0.0 110.793 168.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -78.16 127.93 33.01 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.628 1.171 . . . . 0.0 111.313 -167.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.83 120.27 23.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.62 0.768 . . . . 0.0 110.953 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.47 -31.74 69.0 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.649 1.579 . . . . 0.0 114.011 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.88 -175.91 39.22 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.913 1.244 . . . . 0.0 111.695 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -57.16 145.25 31.94 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.784 0.834 . . . . 0.0 111.237 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -57.2 116.69 3.42 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 167.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.35 -55.69 3.56 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -154.44 142.05 19.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.078 0.951 . . . . 0.0 110.948 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.2 m -117.32 146.06 43.6 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.808 1.243 . . . . 0.0 109.194 173.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -128.44 148.09 50.7 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.087 1.755 . . . . 0.0 110.971 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -137.67 140.24 40.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.675 1.19 . . . . 0.0 112.03 -168.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.427 ' HE1' HG12 ' A' ' 63' ' ' VAL . 27.7 m-85 -129.13 130.37 46.35 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.083 1.353 . . . . 0.0 110.821 -165.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 16.5 mttt -75.43 162.02 28.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.201 0.6 . . . . 0.0 112.222 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -46.72 108.25 0.13 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.438 1.895 . . . . 0.0 112.168 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.14 23.31 41.4 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.982 1.153 . . . . 0.0 115.982 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -120.69 170.79 9.1 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.202 1.501 . . . . 0.0 112.554 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 p -142.59 -4.45 0.97 Allowed 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -167.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -130.24 135.99 48.72 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.157 1.783 . . . . 0.0 107.866 167.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.7 p -61.85 166.39 4.52 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -168.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.6 t -133.44 -12.79 2.7 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 170.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.46 ' CE2' HD11 ' A' ' 110' ' ' ILE . 72.0 t80 -135.14 141.77 46.03 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.131 1.372 . . . . 0.0 108.484 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.514 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -150.94 154.77 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 126.285 1.834 . . . . 0.0 110.845 -172.476 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.46 HD11 ' CE2' ' A' ' 108' ' ' TYR . 8.1 mt -148.8 141.78 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 123.808 0.843 . . . . 0.0 108.877 -171.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -99.18 158.0 15.98 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.406 1.482 . . . . 0.0 110.543 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.61 -172.22 12.5 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.307 -0.871 . . . . 0.0 114.203 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -79.9 30.87 0.48 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 123.837 3.025 . . . . 0.0 113.518 -174.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.37 156.94 21.53 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 127.185 2.326 . . . . 0.0 110.961 171.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -129.0 -18.21 3.78 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.588 1.555 . . . . 0.0 113.671 -160.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.7 t -157.32 143.61 17.9 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.086 1.355 . . . . 0.0 109.628 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -70.22 -31.25 68.59 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.351 -0.843 . . . . 0.0 111.536 173.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 125.998 1.719 . . . . 0.0 112.192 -176.547 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.402 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.514 ' CD2' HG23 ' A' ' 109' ' ' VAL . 50.9 p-80 . . . . . 0 N--CA 1.466 0.363 0 O-C-N 121.265 -1.138 . . . . 0.0 113.51 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -132.81 -24.06 1.97 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.681 1.592 . . . . 0.0 112.981 168.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.61 -6.69 0.52 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 178.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -66.31 -21.54 66.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.039 0.936 . . . . 0.0 111.955 172.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.0 t -47.81 153.85 0.57 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 118.508 2.781 . . . . 0.0 118.508 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.643 HD23 HG11 ' A' ' 63' ' ' VAL . 55.7 tp -104.38 128.98 52.32 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.462 1.905 . . . . 0.0 107.236 160.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 131.37 34.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 126.062 1.745 . . . . 0.0 110.437 160.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.47 0.529 0 CA-C-N 114.545 -1.207 . . . . 0.0 112.242 -179.652 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 120.932 0.396 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -56.83 -31.69 65.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 118.325 -0.845 . . . . 0.0 112.997 173.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.69 -27.62 13.3 Favored Glycine 0 CA--C 1.538 1.498 0 N-CA-C 115.844 1.098 . . . . 0.0 115.844 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -101.01 -45.15 5.5 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.426 1.113 . . . . 0.0 112.469 173.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.74 -42.1 96.67 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.94 -35.66 73.49 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.459 1.027 . . . . 0.0 112.312 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -72.35 -32.0 66.1 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.708 -0.62 . . . . 0.0 111.925 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -73.99 -38.34 64.16 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.604 -0.685 . . . . 0.0 112.528 168.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.04 -34.11 72.84 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.546 1.521 . . . . 0.0 113.418 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -61.52 -36.98 82.06 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.966 0.803 . . . . 0.0 111.122 165.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.29 -46.14 81.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.07 -0.966 . . . . 0.0 111.687 170.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -56.13 -31.65 63.51 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 120.445 1.475 . . . . 0.0 114.256 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mt -67.45 -51.01 56.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 119.77 1.168 . . . . 0.0 112.921 171.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -69.01 -35.37 76.6 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -82.73 -17.83 42.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.413 2.285 . . . . 0.0 113.347 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.89 0.94 8.48 Favored Glycine 0 CA--C 1.533 1.205 0 N-CA-C 116.477 1.351 . . . . 0.0 116.477 -172.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -125.83 166.52 16.7 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.513 1.657 . . . . 0.0 113.385 170.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -74.72 -34.49 62.58 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.284 1.034 . . . . 0.0 111.987 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -151.88 117.61 5.42 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.291 1.836 . . . . 0.0 111.045 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.3 p -83.54 -14.95 51.07 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.44 62.65 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -172.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -75.53 -18.92 59.65 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.732 1.213 . . . . 0.0 112.903 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -82.62 150.93 26.56 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.995 0.918 . . . . 0.0 112.096 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -132.55 -34.71 1.17 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.019 0.928 . . . . 0.0 112.556 -166.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -151.26 175.67 11.97 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.801 0.81 . . . . 0.0 112.266 171.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -147.24 164.9 31.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.827 -1.533 . . . . 0.0 112.669 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.647 HG11 HD23 ' B' ' 20' ' ' LEU . 14.3 p -141.91 144.33 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 125.577 1.551 . . . . 0.0 109.403 174.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.4 mt -129.77 127.8 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 125.418 1.487 . . . . 0.0 107.834 -162.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.3 mt -111.71 123.86 51.12 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.354 1.062 . . . . 0.0 108.411 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.8 p -112.02 167.83 10.08 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 122.034 0.921 . . . . 0.0 111.763 -174.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -50.0 154.63 1.08 Allowed 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.621 160.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 56.25 36.67 27.86 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.975 1.31 . . . . 0.0 114.37 -175.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt 55.74 29.33 13.64 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.57 2.348 . . . . 0.0 115.674 172.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.29 147.95 46.61 Favored Glycine 0 CA--C 1.535 1.307 0 O-C-N 121.317 -0.864 . . . . 0.0 112.971 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -142.39 125.2 16.02 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.571 2.349 . . . . 0.0 108.075 177.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -144.81 144.13 30.99 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.009 1.324 . . . . 0.0 110.405 -173.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.0 t -135.16 140.42 45.37 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.521 1.055 . . . . 0.0 111.963 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.3 t -143.73 145.89 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.445 1.498 . . . . 0.0 108.625 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -91.58 142.74 27.31 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 122.18 0.991 . . . . 0.0 111.486 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.3 mt -87.6 -12.33 45.96 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.289 1.435 . . . . 0.0 111.633 176.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -56.39 -27.71 57.09 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.393 1.477 . . . . 0.0 114.111 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -148.87 163.03 27.44 Favored Pre-proline 0 C--O 1.239 0.546 0 C-N-CA 126.914 2.085 . . . . 0.0 108.687 -169.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -67.76 148.99 78.35 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.942 2.428 . . . . 0.0 110.255 160.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.16 153.18 44.26 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.5 159.53 34.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.416 1.086 . . . . 0.0 113.517 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -51.84 -31.79 29.14 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.799 1.239 . . . . 0.0 114.222 173.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.57 -10.68 59.17 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.365 1.466 . . . . 0.0 113.115 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -120.82 -23.89 5.82 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.786 2.034 . . . . 0.0 112.052 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -56.85 -29.11 62.55 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.731 -1.231 . . . . 0.0 113.207 169.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -122.81 9.43 9.46 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.196 1.398 . . . . 0.0 113.619 -170.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.1 p -70.7 131.11 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.296 0.953 . . . . 0.0 110.572 174.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.0 mp0 -78.03 119.87 22.06 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.659 -0.651 . . . . 0.0 111.686 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.38 137.38 56.84 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.255 1.422 . . . . 0.0 111.67 171.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.38 -23.54 65.59 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.956 1.303 . . . . 0.0 114.134 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.16 -174.08 40.72 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.007 1.289 . . . . 0.0 112.599 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -57.8 145.6 34.43 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.288 1.035 . . . . 0.0 111.804 171.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -55.36 131.54 45.98 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.398 0.679 . . . . 0.0 109.591 166.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -123.96 -34.57 2.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 119.134 -0.46 . . . . 0.0 112.134 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -137.93 153.46 49.5 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.476 1.11 . . . . 0.0 110.561 166.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.3 m -136.47 144.8 44.56 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.218 1.007 . . . . 0.0 109.225 161.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CD2' ' CG1' ' A' ' 109' ' ' VAL . 59.4 m-85 -125.6 137.48 53.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.467 1.907 . . . . 0.0 109.682 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -131.52 144.37 51.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.848 1.259 . . . . 0.0 112.32 -169.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -130.52 132.52 45.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.512 1.525 . . . . 0.0 110.191 -166.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.33 163.98 26.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.764 0.711 . . . . 0.0 111.413 173.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -50.52 106.77 0.13 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.406 1.083 . . . . 0.0 113.127 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.81 -11.05 34.99 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.927 1.727 . . . . 0.0 115.721 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -91.77 157.25 17.01 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.907 1.854 . . . . 0.0 114.897 -167.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.2 m -137.09 23.18 3.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.2 2.2 . . . . 0.0 113.014 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -148.04 140.07 24.08 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.067 1.747 . . . . 0.0 107.575 160.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.6 p -64.28 165.06 10.05 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.8 t -131.73 -10.24 3.52 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.996 1.319 . . . . 0.0 112.725 165.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -140.22 138.63 35.25 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.982 1.313 . . . . 0.0 109.101 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.488 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -154.63 155.4 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.77 1.628 . . . . 0.0 112.585 -167.506 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -151.6 137.37 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.407 0.683 . . . . 0.0 109.379 -167.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -91.85 149.27 21.66 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.139 1.376 . . . . 0.0 110.374 172.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.35 177.95 18.16 Favored Glycine 0 N--CA 1.478 1.471 0 CA-C-O 118.913 -0.937 . . . . 0.0 115.289 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.55 26.34 0.39 Allowed 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 125.198 3.932 . . . . 0.0 116.117 -169.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.86 -165.62 41.45 Favored Glycine 0 CA--C 1.539 1.563 0 N-CA-C 108.352 -1.899 . . . . 0.0 108.352 160.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -138.39 -18.41 1.12 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.848 1.259 . . . . 0.0 112.932 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -166.02 172.98 10.85 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 128.268 2.627 . . . . 0.0 107.977 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -87.42 -31.49 20.03 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.946 -1.096 . . . . 0.0 111.73 161.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 125.075 1.35 . . . . 0.0 112.021 178.723 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 N-CA-C 119.09 2.396 . . . . 0.0 119.09 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.488 ' CD2' HG23 ' A' ' 109' ' ' VAL . 48.2 p-80 . . . . . 0 N--CA 1.467 0.409 0 C-N-CA 124.757 1.223 . . . . 0.0 111.488 167.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -140.37 13.4 2.37 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.163 1.385 . . . . 0.0 112.887 170.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -168.6 -24.63 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.165 1.786 . . . . 0.0 114.148 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.64 -24.35 63.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.247 1.019 . . . . 0.0 113.405 172.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -41.95 157.24 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 131.424 3.89 . . . . 0.0 121.026 -174.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.647 HD23 HG11 ' A' ' 63' ' ' VAL . 39.2 tp -102.11 127.0 49.21 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 126.765 2.026 . . . . 0.0 107.858 160.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -91.79 113.8 26.16 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.719 2.408 . . . . 0.0 111.198 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 CA--C 1.546 0.794 0 C-N-CA 127.204 2.201 . . . . 0.0 112.52 173.33 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.582 0.706 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.16 -34.68 78.96 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -167.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.25 -44.03 89.28 Favored Glycine 0 N--CA 1.471 0.971 0 CA-C-N 120.219 1.372 . . . . 0.0 114.81 175.57 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -67.56 -37.93 83.39 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.858 0.863 . . . . 0.0 111.149 176.15 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.75 -41.97 91.51 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.853 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.77 -37.67 79.7 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.561 1.144 . . . . 0.0 112.448 174.504 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -67.99 -39.54 83.24 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.257 1.023 . . . . 0.0 111.469 176.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -65.16 -51.3 61.99 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.179 0.992 . . . . 0.0 112.296 170.826 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 mt -67.64 -33.47 75.03 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -175.217 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -62.8 -32.22 73.36 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.657 1.117 . . . . 0.0 111.169 169.766 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -74.48 -38.76 62.81 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 171.071 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -64.37 -30.13 71.18 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.628 1.104 . . . . 0.0 113.639 172.064 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -49.77 76.21 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.742 -1.224 . . . . 0.0 112.826 173.38 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.19 -46.39 90.67 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.327 0.651 . . . . 0.0 112.292 178.187 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -76.87 -18.25 58.46 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.16 -6.56 27.69 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 118.756 0.707 . . . . 0.0 114.01 -171.175 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.7 p -115.98 174.64 5.93 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -79.96 -40.62 27.64 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.894 0.878 . . . . 0.0 110.188 172.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.5 157.62 44.3 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.796 2.438 . . . . 0.0 109.729 168.627 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.9 t -126.21 -9.28 6.45 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -175.376 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.09 -26.35 66.68 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -177.698 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.7 pm0 -83.45 -9.8 58.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.89 2.076 . . . . 0.0 113.127 -171.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 70.3 m-85 -74.33 155.34 38.29 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.66 1.184 . . . . 0.0 113.038 179.291 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -126.97 -39.92 1.91 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.139 1.376 . . . . 0.0 111.716 -170.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -156.43 175.1 14.47 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.735 1.214 . . . . 0.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -147.68 160.94 42.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.969 -1.469 . . . . 0.0 113.566 177.076 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.2 t -139.14 140.9 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 126.445 1.898 . . . . 0.0 109.97 176.646 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.81 138.62 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 126.028 1.731 . . . . 0.0 108.688 177.409 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.1 mt -119.92 118.81 31.7 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.591 1.156 . . . . 0.0 108.698 169.409 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.9 p -102.48 174.14 6.03 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.754 0.822 . . . . 0.0 112.12 -175.505 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.34 163.85 0.37 Allowed 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.451 -0.781 . . . . 0.0 110.343 160.299 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 60.34 32.21 20.63 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.398 1.079 . . . . 0.0 112.823 174.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt 52.0 27.51 4.49 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 129.5 3.12 . . . . 0.0 116.156 179.423 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.2 145.91 49.97 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.592 -0.693 . . . . 0.0 113.4 172.223 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -137.1 132.65 34.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 127.516 2.326 . . . . 0.0 108.667 173.806 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -143.52 144.06 31.81 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.527 1.131 . . . . 0.0 110.493 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 t -135.92 143.07 44.76 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.605 0.762 . . . . 0.0 112.571 177.807 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.9 t -143.1 135.39 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.865 1.266 . . . . 0.0 108.459 175.538 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -76.36 153.07 36.1 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.16 0.981 . . . . 0.0 111.239 170.07 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -109.54 -15.35 14.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.656 1.982 . . . . 0.0 112.025 -178.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -58.56 -15.52 11.69 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 163.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.2 p -148.15 157.5 42.73 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.967 1.707 . . . . 0.0 110.752 -176.374 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -63.25 152.98 77.08 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.713 2.942 . . . . 0.0 112.881 162.208 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -61.2 151.89 30.25 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.31 156.9 35.1 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 174.44 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -55.52 -35.63 65.84 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 -166.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -84.79 -25.41 28.2 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 120.774 1.625 . . . . 0.0 112.718 -174.435 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.2 mtt85 -62.1 -20.73 64.34 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.372 1.069 . . . . 0.0 111.816 168.72 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -65.14 -27.74 68.93 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.4 -0.813 . . . . 0.0 112.896 176.886 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -121.85 -7.38 9.0 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -167.304 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.32 126.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 119.035 0.834 . . . . 0.0 111.317 -178.875 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.61 125.94 28.22 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.392 1.077 . . . . 0.0 111.285 177.324 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.39 132.06 44.27 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.423 1.489 . . . . 0.0 111.46 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.52 -25.89 66.45 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.021 1.328 . . . . 0.0 113.815 178.001 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.55 -174.95 38.33 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.777 1.18 . . . . 0.0 113.817 177.676 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -68.66 154.38 42.03 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.241 1.416 . . . . 0.0 113.435 176.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.4 ttp -72.15 68.05 0.7 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.837 2.055 . . . . 0.0 114.901 -173.483 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -55.15 -44.3 75.0 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.618 -1.302 . . . . 0.0 113.823 178.404 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -157.44 153.4 27.1 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.126 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.0 m -137.45 151.01 48.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.362 1.465 . . . . 0.0 110.435 176.153 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -136.55 140.19 42.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.401 2.28 . . . . 0.0 110.36 -169.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -140.52 150.23 43.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.493 1.117 . . . . 0.0 112.784 -170.713 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CZ ' HD13 ' B' ' 22' ' ' LEU . 14.8 m-85 -139.63 131.55 27.72 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.681 1.193 . . . . 0.0 109.544 -164.481 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -70.87 169.62 14.33 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 118.947 0.794 . . . . 0.0 112.818 171.915 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.45 40.73 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 130.046 3.338 . . . . 0.0 114.555 174.62 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.87 30.31 0.02 OUTLIER Glycine 0 CA--C 1.536 1.359 0 C-N-CA 127.48 2.467 . . . . 0.0 113.192 -165.448 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -141.73 151.05 42.58 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.964 1.306 . . . . 0.0 112.513 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.9 p -136.25 9.28 3.21 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.626 1.171 . . . . 0.0 113.173 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -129.55 125.41 36.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.976 1.311 . . . . 0.0 108.425 163.293 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.5 p -62.7 115.16 4.06 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -164.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.3 p -72.03 -25.57 61.86 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 169.268 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -125.66 141.75 51.86 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.574 1.15 . . . . 0.0 110.069 -176.262 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.414 HG23 ' NE2' ' B' ' 13' ' ' HIS . 3.9 m -146.03 161.79 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 126.213 1.805 . . . . 0.0 111.564 -175.684 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.5 mt -143.38 130.14 17.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 176.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -96.72 147.62 23.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.416 0.686 . . . . 0.0 109.343 176.273 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.77 -174.17 25.28 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 121.79 -0.569 . . . . 0.0 114.512 -171.368 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -67.55 122.97 10.23 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.003 2.468 . . . . 0.0 111.623 -175.04 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.28 -26.59 0.42 Allowed Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.427 1.489 . . . . 0.0 114.478 174.298 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? 59.4 -19.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 128.8 2.84 . . . . 0.0 117.688 178.465 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -166.72 154.31 9.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.963 1.256 . . . . 0.0 110.653 177.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -77.83 -29.44 50.56 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.986 -0.446 . . . . 0.0 111.835 167.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 124.25 1.02 . . . . 0.0 111.942 176.194 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 N-CA-C 116.143 1.217 . . . . 0.0 116.143 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.414 ' NE2' HG23 ' A' ' 109' ' ' VAL . 44.8 p-80 . . . . . 0 N--CA 1.469 0.508 0 C-N-CA 124.861 1.264 . . . . 0.0 112.768 174.054 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 CA--C 1.544 0.721 0 CA-C-O 120.998 0.428 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -134.38 2.32 3.25 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.214 1.405 . . . . 0.0 114.313 -174.769 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -138.37 -39.94 0.52 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.871 1.268 . . . . 0.0 112.81 -170.186 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.01 12.16 16.28 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.801 1.64 . . . . 0.0 112.223 177.111 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -62.04 157.77 18.07 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.866 2.066 . . . . 0.0 114.337 172.422 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.3 tp -102.69 127.44 49.81 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.155 1.782 . . . . 0.0 108.934 164.299 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -91.14 105.93 18.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.796 2.039 . . . . 0.0 112.102 172.287 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 5.2 mp . . . . . 0 N--CA 1.472 0.667 0 C-N-CA 125.928 1.691 . . . . 0.0 114.582 -176.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -30.92 68.79 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.658 -174.772 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.52 -41.45 64.18 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 121.142 -0.974 . . . . 0.0 114.161 176.375 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -76.39 -37.94 56.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.777 0.831 . . . . 0.0 112.145 175.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.8 tp -68.95 -42.7 76.34 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 179.182 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.15 -41.94 76.2 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.648 1.179 . . . . 0.0 112.067 172.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.02 -40.4 97.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.734 0.414 . . . . 0.0 111.32 175.308 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -66.15 -43.45 87.0 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.194 -0.942 . . . . 0.0 112.629 172.734 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.0 mt -69.46 -33.79 73.44 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.003 -1.061 . . . . 0.0 113.197 -178.544 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -67.29 -35.32 79.23 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.137 0.88 . . . . 0.0 111.124 169.628 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -64.21 -47.11 80.99 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.456 0.571 . . . . 0.0 111.654 169.05 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -57.36 -35.16 69.59 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 174.817 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.92 -49.74 69.24 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.024 1.284 . . . . 0.0 112.61 174.833 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -67.8 -40.85 83.86 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.215 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -65.17 -41.43 94.65 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 171.002 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.42 -12.23 39.24 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 116.27 1.268 . . . . 0.0 116.27 -160.29 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.5 p -118.76 154.39 32.87 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.948 1.374 . . . . 0.0 112.008 177.19 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -71.53 -30.52 66.01 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.233 1.013 . . . . 0.0 112.219 177.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -148.97 111.22 4.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.035 1.734 . . . . 0.0 112.073 167.13 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.3 p -71.32 -17.36 62.45 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 175.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.35 -7.51 53.11 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -169.337 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -83.86 -17.28 41.42 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.646 1.178 . . . . 0.0 114.063 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.3 m-85 -80.18 154.75 27.78 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.589 0.756 . . . . 0.0 112.628 -174.549 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -122.61 -28.55 4.19 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -157.88 171.28 20.57 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.687 1.595 . . . . 0.0 111.964 177.251 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -145.74 158.37 43.86 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.733 2.013 . . . . 0.0 111.348 175.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.622 HG11 HD23 ' B' ' 20' ' ' LEU . 13.7 p -142.95 138.68 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.104 1.362 . . . . 0.0 109.798 -178.876 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.1 mt -126.01 128.84 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.686 1.594 . . . . 0.0 108.335 -160.167 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -118.29 118.22 31.21 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.564 1.146 . . . . 0.0 109.617 178.903 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.6 p -107.97 176.52 5.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.878 0.871 . . . . 0.0 111.934 -175.713 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.27 172.62 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.092 -1.005 . . . . 0.0 111.379 160.033 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 53.11 31.82 11.99 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.114 1.366 . . . . 0.0 113.504 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 61.3 24.48 14.58 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.694 1.998 . . . . 0.0 113.327 174.374 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.14 143.13 44.19 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 121.376 -0.827 . . . . 0.0 113.147 175.139 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -143.77 128.83 18.6 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.797 2.439 . . . . 0.0 107.448 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -144.97 143.52 30.57 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.817 1.247 . . . . 0.0 110.195 -177.616 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.6 t -128.91 140.1 51.83 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.918 0.887 . . . . 0.0 111.613 -177.377 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.1 t -143.05 127.8 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.85 1.66 . . . . 0.0 110.404 -172.674 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -77.73 142.8 38.51 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.061 0.934 . . . . 0.0 111.713 170.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.2 mt -107.57 -11.65 15.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.453 1.901 . . . . 0.0 112.69 -178.604 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -66.15 -6.38 13.2 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.124 0.875 . . . . 0.0 113.036 167.246 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.5 p -146.52 154.19 48.39 Favored Pre-proline 0 CA--C 1.541 0.617 0 C-N-CA 127.545 2.338 . . . . 0.0 110.154 -174.132 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -66.53 155.55 69.68 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.761 2.974 . . . . 0.0 112.844 165.729 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.76 155.87 34.84 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.881 0.872 . . . . 0.0 111.929 168.708 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.17 161.75 29.38 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.285 1.434 . . . . 0.0 111.19 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.18 -40.46 61.53 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 -163.173 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -71.28 -12.86 61.67 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.944 -1.097 . . . . 0.0 113.177 -178.355 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -106.23 -31.11 8.8 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.833 2.453 . . . . 0.0 111.096 174.217 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.24 -45.03 93.48 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.526 1.13 . . . . 0.0 111.438 172.023 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.3 4.33 10.93 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.266 1.426 . . . . 0.0 114.345 -174.908 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.32 117.06 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.244 1.418 . . . . 0.0 110.932 -176.671 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -67.53 124.92 24.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.493 1.117 . . . . 0.0 111.037 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.17 124.4 28.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.754 1.621 . . . . 0.0 111.313 179.234 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.18 -22.59 66.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.058 1.743 . . . . 0.0 114.87 179.038 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.17 -170.64 37.02 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.339 0.971 . . . . 0.0 115.521 175.497 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.67 152.47 22.42 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.346 1.858 . . . . 0.0 113.04 173.041 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 22.0 ttp -74.23 62.73 0.96 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.465 2.706 . . . . 0.0 114.073 -171.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -60.82 -40.0 91.1 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.698 -1.251 . . . . 0.0 114.026 -173.354 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -153.46 146.57 24.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.453 0.701 . . . . 0.0 112.1 -176.064 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 m -138.6 146.02 41.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.921 1.288 . . . . 0.0 110.372 167.716 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -123.78 145.05 49.32 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.57 1.948 . . . . 0.0 111.707 179.078 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -137.4 145.1 42.81 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.719 1.608 . . . . 0.0 112.613 -172.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.409 ' HE1' HG12 ' A' ' 63' ' ' VAL . 15.5 m-85 -133.28 134.97 44.59 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.54 1.536 . . . . 0.0 110.593 -165.008 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -76.49 158.26 31.43 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.455 1.025 . . . . 0.0 111.822 176.865 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -46.72 112.93 0.57 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.468 1.507 . . . . 0.0 111.485 174.458 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.63 -8.37 61.82 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.307 1.432 . . . . 0.0 116.123 179.079 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -89.72 176.3 6.91 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.322 1.561 . . . . 0.0 112.839 -177.872 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.0 p -148.8 13.05 0.9 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 171.043 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -131.42 138.37 49.05 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.324 -1.485 . . . . 0.0 108.132 164.673 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 p -63.82 160.63 16.97 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -169.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 t -130.98 -22.82 2.54 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.37 1.468 . . . . 0.0 112.633 174.36 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -124.68 144.0 50.45 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.338 1.055 . . . . 0.0 108.692 176.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' B' ' 13' ' ' HIS . 2.1 m -149.02 153.63 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 125.611 1.564 . . . . 0.0 111.519 -172.747 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -142.71 134.02 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -109.16 151.11 26.9 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.197 0.999 . . . . 0.0 109.363 -175.014 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.81 -167.86 21.0 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.383 -0.823 . . . . 0.0 114.682 -177.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.6 144.4 89.75 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 122.353 2.035 . . . . 0.0 110.583 -177.645 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.0 -26.58 1.01 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.685 2.088 . . . . 0.0 113.45 170.506 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 60.27 -22.55 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 129.971 3.309 . . . . 0.0 116.76 -174.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.1 t -165.64 152.03 9.73 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.714 1.606 . . . . 0.0 109.49 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -75.58 -27.37 58.53 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.834 -0.542 . . . . 0.0 112.39 165.426 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 CA--C 1.553 1.096 0 C-N-CA 126.605 1.962 . . . . 0.0 114.159 -166.813 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.496 0 CA-C-O 121.71 0.617 . . . . 0.0 114.162 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.48 ' CD2' HG23 ' A' ' 109' ' ' VAL . 34.9 p-80 . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 121.944 0.878 . . . . 0.0 110.529 169.545 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 t0 . . . . . 0 N--CA 1.472 0.675 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -136.99 -21.37 1.22 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.941 1.296 . . . . 0.0 112.464 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -80.57 -49.35 11.42 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 125.229 1.412 . . . . 0.0 111.965 -179.33 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.42 -13.6 61.1 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -176.12 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -45.39 147.8 0.75 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 -168.285 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.622 HD23 HG11 ' A' ' 63' ' ' VAL . 45.7 tp -93.93 129.05 40.52 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 164.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -99.39 102.89 14.62 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.959 2.103 . . . . 0.0 111.268 176.631 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 CA--C 1.552 1.033 0 C-N-CA 128.304 2.641 . . . . 0.0 113.643 177.98 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 121.673 0.749 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -34.48 70.4 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.266 0.627 . . . . 0.0 112.336 -176.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.89 -35.64 40.26 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-O 118.83 -0.983 . . . . 0.0 115.418 175.395 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -84.75 -31.12 24.16 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.863 1.331 . . . . 0.0 112.786 175.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.9 tp -70.62 -42.17 71.27 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.259 0.623 . . . . 0.0 111.929 176.685 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.42 -41.23 79.99 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.331 1.452 . . . . 0.0 112.293 176.163 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -60.88 -35.96 77.97 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.012 0.925 . . . . 0.0 111.496 175.573 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -50.18 29.67 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 123.077 0.551 . . . . 0.0 111.628 172.119 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.62 -37.57 86.83 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.556 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -67.97 -27.76 66.86 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.146 -0.971 . . . . 0.0 112.202 174.064 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -75.97 -38.42 57.52 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 167.043 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -59.18 -36.88 76.11 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.388 -0.82 . . . . 0.0 112.108 175.341 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.1 mt -55.87 -39.47 71.56 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 171.478 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -71.82 -45.98 59.67 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.466 1.03 . . . . 0.0 112.126 178.54 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -63.17 -23.46 67.45 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.177 1.391 . . . . 0.0 114.634 171.042 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' HA3' ' HA3' ' B' ' 12' ' ' GLY . . . -116.62 -13.68 7.89 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 115.71 1.044 . . . . 0.0 115.71 -160.866 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.4 p -130.08 164.14 25.03 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.999 1.4 . . . . 0.0 112.647 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -65.58 -43.38 89.91 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.999 -0.438 . . . . 0.0 111.105 167.097 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -155.13 105.79 2.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.946 1.298 . . . . 0.0 112.99 -171.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 t -61.9 -24.63 67.07 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 176.196 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.11 -5.32 17.17 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -167.772 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -85.49 -19.34 31.37 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.799 -1.188 . . . . 0.0 113.562 174.043 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 94.2 m-85 -84.08 146.4 27.94 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.014 0.825 . . . . 0.0 112.185 -174.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -124.27 -24.19 4.36 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -153.3 172.75 16.55 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 167.202 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -145.43 161.02 40.69 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 127.118 2.167 . . . . 0.0 112.015 177.798 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.675 HG11 HD23 ' B' ' 20' ' ' LEU . 12.2 p -141.53 121.51 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 124.914 1.286 . . . . 0.0 111.449 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.69 133.65 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.3 1.44 . . . . 0.0 109.063 -178.081 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.12 122.14 42.33 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.846 1.258 . . . . 0.0 109.994 173.175 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.0 p -111.41 174.45 5.86 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.057 0.943 . . . . 0.0 112.789 -172.129 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -52.41 166.07 0.21 Allowed 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.252 -0.905 . . . . 0.0 110.614 160.292 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.81 36.29 26.12 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.518 1.127 . . . . 0.0 113.078 178.792 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt 60.87 20.21 10.46 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.824 2.049 . . . . 0.0 114.374 171.676 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.02 142.67 45.28 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 121.552 -0.717 . . . . 0.0 112.861 175.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -145.55 126.96 14.95 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.663 2.385 . . . . 0.0 107.284 -178.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -144.03 111.99 6.23 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.748 0.819 . . . . 0.0 111.477 -172.077 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 t -92.85 139.84 30.13 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.787 0.721 . . . . 0.0 111.482 175.381 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.2 t -145.88 134.26 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.152 1.781 . . . . 0.0 109.668 -177.767 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -85.82 148.12 25.98 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.82 1.295 . . . . 0.0 111.665 178.136 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.2 mt -109.54 -4.12 16.47 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.331 1.853 . . . . 0.0 113.16 -174.568 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -65.65 -28.5 69.14 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.365 0.666 . . . . 0.0 112.432 170.602 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.3 p -146.01 151.47 45.21 Favored Pre-proline 0 N--CA 1.472 0.637 0 C-N-CA 125.488 1.515 . . . . 0.0 109.988 -179.808 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.67 134.03 60.35 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.524 2.816 . . . . 0.0 112.491 168.21 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -63.67 153.47 36.03 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -164.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.96 156.28 31.73 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.404 1.481 . . . . 0.0 114.811 -177.002 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -56.9 -36.3 69.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -174.646 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -37.71 78.8 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.56 1.073 . . . . 0.0 110.819 176.923 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -73.98 -31.12 62.84 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.644 1.178 . . . . 0.0 111.913 176.886 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -59.71 -22.17 61.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.181 -0.95 . . . . 0.0 112.883 168.248 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -124.12 17.73 9.19 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.632 1.573 . . . . 0.0 112.925 -171.007 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.05 136.79 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-N 119.061 0.846 . . . . 0.0 109.078 169.798 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -86.63 150.76 23.98 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.621 0.724 . . . . 0.0 111.964 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.4 mt -94.73 122.55 37.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.437 1.495 . . . . 0.0 110.744 -173.147 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -60.79 -23.77 65.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.101 1.36 . . . . 0.0 113.846 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.51 -172.75 37.18 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.569 1.08 . . . . 0.0 113.667 175.561 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -67.74 155.62 38.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.127 1.371 . . . . 0.0 113.628 177.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.8 ttp -74.37 67.94 1.48 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 127.162 2.185 . . . . 0.0 114.296 -171.621 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.29 -41.63 80.14 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.675 -1.265 . . . . 0.0 113.947 178.384 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -157.89 157.98 34.2 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.2 m -141.07 146.7 37.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.415 1.486 . . . . 0.0 110.542 169.798 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.55 146.03 49.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.255 1.822 . . . . 0.0 111.256 179.129 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -133.69 151.32 51.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.771 1.228 . . . . 0.0 112.901 -171.605 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -136.68 129.1 30.14 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.026 0.93 . . . . 0.0 110.974 -166.021 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -73.39 165.1 25.69 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 179.056 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -60.26 54.48 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 129.067 2.947 . . . . 0.0 116.663 178.638 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 151.17 24.52 0.05 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.237 1.875 . . . . 0.0 113.564 -177.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -141.45 154.26 45.47 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.317 1.559 . . . . 0.0 111.821 -171.171 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.9 m -142.92 12.93 1.86 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -173.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -125.92 131.16 52.37 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 159.735 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.8 t -63.09 155.5 27.69 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -172.513 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.0 m -131.14 0.99 4.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.275 1.83 . . . . 0.0 112.732 168.207 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -143.76 132.79 22.87 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.917 1.287 . . . . 0.0 109.642 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 ' NE2' ' B' ' 13' ' ' HIS . 1.7 m -146.85 162.11 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 125.432 1.493 . . . . 0.0 111.734 -168.728 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 36.3 mt -143.88 130.44 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 126.053 1.741 . . . . 0.0 106.332 -172.682 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -111.45 153.36 26.24 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.502 0.592 . . . . 0.0 109.479 177.315 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.04 -167.48 18.23 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 114.154 0.422 . . . . 0.0 114.154 -176.605 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.79 136.35 25.23 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.953 2.435 . . . . 0.0 111.554 -176.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.27 -17.14 0.21 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 126.545 2.021 . . . . 0.0 114.684 174.721 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 63.95 -29.7 0.1 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.061 2.544 . . . . 0.0 116.362 -178.073 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -168.15 156.84 9.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.884 1.674 . . . . 0.0 109.778 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -76.55 -30.25 57.02 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.32 -0.863 . . . . 0.0 112.873 165.052 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 125.56 1.544 . . . . 0.0 112.455 -164.237 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 12' ' ' GLY . . . . . 0.413 ' HA3' ' HA3' ' A' ' 52' ' ' GLY . . . . . . . . 0 N--CA 1.436 -1.332 0 CA-C-O 120.029 -0.317 . . . . 0.0 113.088 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.476 ' NE2' HG23 ' A' ' 109' ' ' VAL . 49.3 p-80 . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 122.451 1.119 . . . . 0.0 112.582 170.478 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.25 21.66 1.89 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.231 1.012 . . . . 0.0 112.456 174.432 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -167.55 -18.13 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 117.466 2.395 . . . . 0.0 117.466 -164.51 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -105.67 -20.44 13.46 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.965 1.306 . . . . 0.0 113.037 -178.006 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.2 t -36.09 145.93 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 -174.518 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.675 HD23 HG11 ' A' ' 63' ' ' VAL . 61.3 tp -92.02 120.68 32.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 162.93 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -78.64 132.85 37.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.971 1.709 . . . . 0.0 110.007 163.251 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 CA--C 1.544 0.742 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 -164.502 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.7 p . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 121.093 0.473 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.73 -30.12 70.56 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.306 -0.871 . . . . 0.0 113.293 -177.724 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.89 -26.94 55.8 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 120.131 1.332 . . . . 0.0 114.704 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -99.2 -32.23 11.33 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.367 1.467 . . . . 0.0 113.041 176.589 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -71.96 -44.13 64.06 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.807 0.73 . . . . 0.0 112.588 174.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -62.07 -37.65 85.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.339 1.456 . . . . 0.0 111.69 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -56.91 -45.39 82.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.046 1.338 . . . . 0.0 111.176 170.237 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -69.61 -46.55 65.99 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.853 0.861 . . . . 0.0 112.172 176.769 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.6 mt -64.94 -32.3 73.95 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.558 1.143 . . . . 0.0 113.279 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -61.86 -40.26 94.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.676 0.79 . . . . 0.0 110.85 167.273 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.74 -35.43 77.11 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.878 -1.058 . . . . 0.0 113.333 172.482 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -55.44 -38.49 69.1 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 120.52 1.509 . . . . 0.0 113.706 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.74 -46.95 73.81 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 118.3 -0.857 . . . . 0.0 112.5 174.352 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.23 -49.47 77.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.649 1.113 . . . . 0.0 111.385 177.626 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -64.41 -10.12 22.81 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 127.949 2.5 . . . . 0.0 114.982 175.735 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -128.53 -41.04 0.28 Allowed Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.367 0.907 . . . . 0.0 115.367 -163.166 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.452 HG22 ' CE1' ' A' ' 108' ' ' TYR . 32.2 p -97.61 173.25 7.23 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.464 1.905 . . . . 0.0 112.638 -175.879 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -75.56 -34.46 60.71 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.931 0.892 . . . . 0.0 112.229 165.205 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -151.73 109.96 3.74 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 175.529 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -62.18 -28.43 69.66 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.092 1.357 . . . . 0.0 113.437 171.503 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.49 -8.88 54.5 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -166.045 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -84.56 -11.49 55.95 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.81 1.186 . . . . 0.0 112.558 171.14 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.7 m-85 -84.27 154.16 23.14 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.345 1.058 . . . . 0.0 113.03 -179.288 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -140.39 -38.34 0.45 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.79 0.836 . . . . 0.0 112.615 -166.179 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -149.87 174.89 12.16 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.941 0.896 . . . . 0.0 112.962 175.115 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -155.34 161.25 41.11 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 125.978 1.711 . . . . 0.0 112.807 -176.875 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.27 135.96 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.55 1.54 . . . . 0.0 109.977 177.578 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.4 mt -123.38 131.52 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.729 1.612 . . . . 0.0 108.454 -164.469 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 mt -122.47 135.0 54.57 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.533 1.133 . . . . 0.0 110.045 -179.215 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.5 p -127.31 174.01 9.31 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -167.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HB2' ' HA3' ' A' ' 91' ' ' GLY . 14.9 mt-10 -50.35 159.7 0.45 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.183 0.516 . . . . 0.0 109.927 160.122 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 61.99 35.54 16.04 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 171.03 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt 62.29 18.55 10.3 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 128.423 2.689 . . . . 0.0 115.204 173.056 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.49 142.34 46.88 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.655 -0.653 . . . . 0.0 113.21 174.156 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -145.92 129.46 16.97 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 128.694 2.798 . . . . 0.0 106.279 174.638 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -142.35 128.45 19.7 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.101 0.961 . . . . 0.0 110.693 -177.587 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.5 t -101.92 143.19 32.1 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 118.979 0.809 . . . . 0.0 111.799 174.535 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.5 t -143.97 123.06 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.643 1.577 . . . . 0.0 110.82 -179.206 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -77.18 122.43 25.02 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.338 -0.851 . . . . 0.0 110.133 164.873 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.0 mt -79.77 -26.87 40.52 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.482 1.513 . . . . 0.0 112.461 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -74.01 18.76 0.13 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.863 1.665 . . . . 0.0 115.044 -169.805 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.8 p -145.04 157.01 54.77 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 127.07 2.148 . . . . 0.0 109.911 175.783 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.91 153.01 33.29 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.674 2.916 . . . . 0.0 113.592 167.307 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.5 tp -56.38 148.06 19.9 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.661 1.984 . . . . 0.0 113.275 178.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.64 140.24 46.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.566 1.146 . . . . 0.0 111.358 175.097 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -65.09 -4.99 5.49 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -178.497 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -58.45 -50.57 73.24 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.735 -1.228 . . . . 0.0 110.518 163.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -67.96 -32.26 72.56 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.285 1.434 . . . . 0.0 111.689 -179.07 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -61.29 -18.1 56.88 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 176.835 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -125.91 -14.75 6.07 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -169.891 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.41 134.99 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 119.146 0.885 . . . . 0.0 111.118 174.832 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.21 125.04 35.34 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.545 0.738 . . . . 0.0 109.949 174.617 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.82 129.49 40.29 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.504 -0.747 . . . . 0.0 110.766 173.189 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.58 -27.26 48.27 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.312 1.045 . . . . 0.0 113.491 175.081 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.415 ' HA3' ' HB2' ' A' ' 67' ' ' GLU . . . -172.42 -176.23 41.02 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 126.116 1.817 . . . . 0.0 113.696 -178.363 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -69.02 153.55 43.6 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.207 1.403 . . . . 0.0 114.772 -179.243 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.5 ttp -69.8 65.97 0.23 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.113 2.565 . . . . 0.0 115.013 -175.088 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.18 -39.24 85.82 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.383 -1.448 . . . . 0.0 114.47 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -147.19 151.12 36.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.203 1.401 . . . . 0.0 111.971 -178.779 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.8 m -138.11 151.0 47.37 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.113 1.365 . . . . 0.0 110.044 161.167 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -130.97 145.2 51.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.821 1.648 . . . . 0.0 110.424 175.672 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -138.46 145.16 40.53 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.785 1.634 . . . . 0.0 112.302 -164.748 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -132.44 132.02 42.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.344 1.058 . . . . 0.0 110.269 -164.21 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 47.0 mttt -69.27 169.4 12.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.908 0.883 . . . . 0.0 112.386 173.23 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -59.04 43.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.213 3.005 . . . . 0.0 117.077 175.321 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.79 41.87 0.02 OUTLIER Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.286 -1.286 . . . . 0.0 114.416 -176.312 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -138.1 159.61 41.59 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -171.091 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.9 p -138.09 -1.43 1.96 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.081 2.552 . . . . 0.0 113.954 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -139.23 128.35 23.85 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.171 2.189 . . . . 0.0 108.169 166.061 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.5 p -58.59 157.05 9.68 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 -166.041 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.0 t -120.65 -17.46 8.02 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.444 1.498 . . . . 0.0 113.682 176.149 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.452 ' CE1' HG22 ' A' ' 53' ' ' THR . 25.7 t80 -127.1 153.52 45.9 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.409 1.083 . . . . 0.0 108.77 170.398 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.476 HG13 ' CD2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -159.09 147.57 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 C-N-CA 125.323 1.449 . . . . 0.0 110.569 -171.505 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.3 mt -141.39 124.16 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -167.151 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -84.5 153.62 23.2 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.251 1.02 . . . . 0.0 110.115 176.344 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.45 -173.28 31.96 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-O 119.625 -0.542 . . . . 0.0 113.886 174.641 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.02 140.1 34.05 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.106 2.537 . . . . 0.0 110.535 -177.343 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 150.16 -21.23 1.1 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 126.794 2.14 . . . . 0.0 113.929 176.129 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 59.91 -34.75 0.07 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 128.763 2.825 . . . . 0.0 118.161 175.135 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.2 t -160.12 146.67 15.87 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 120.871 1.669 . . . . 0.0 109.287 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -76.27 -18.82 58.8 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.662 -0.649 . . . . 0.0 112.552 172.278 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 126.355 1.862 . . . . 0.0 114.062 -161.953 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.593 0 N-CA-C 115.232 0.853 . . . . 0.0 115.232 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.476 ' CD2' HG13 ' A' ' 109' ' ' VAL . 45.0 p-80 . . . . . 0 N--CA 1.467 0.398 0 O-C-N 121.124 -1.221 . . . . 0.0 113.248 175.457 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 CA--C 1.547 0.832 0 CA-C-O 121.081 0.467 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -136.76 -4.56 1.99 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.127 2.171 . . . . 0.0 113.451 -178.644 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -31.59 0.54 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -179.278 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.39 81.67 5.63 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.053 0.93 . . . . 0.0 109.257 162.762 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -138.77 154.54 48.52 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.437 1.095 . . . . 0.0 111.799 -177.094 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.36 113.59 27.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 105.378 -2.082 . . . . 0.0 105.378 172.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -86.62 134.49 33.62 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 125.366 1.466 . . . . 0.0 111.283 169.299 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -166.525 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 121.414 0.626 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.64 -25.92 68.37 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 176.56 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.54 -34.62 43.18 Favored Glycine 0 N--CA 1.472 1.092 0 CA-C-N 120.378 1.445 . . . . 0.0 115.357 172.574 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -87.92 -43.81 11.51 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.033 0.917 . . . . 0.0 112.01 175.708 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.95 -49.38 58.48 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.559 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.03 -41.74 99.61 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.913 0.779 . . . . 0.0 110.381 -177.41 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -58.73 -37.15 75.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.965 0.906 . . . . 0.0 112.655 173.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 mtm105 -67.67 -56.17 10.38 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.203 169.555 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.52 -37.62 78.82 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.59 1.541 . . . . 0.0 113.351 -174.631 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.0 ttm-85 -64.91 -33.03 75.06 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.086 2.154 . . . . 0.0 112.359 175.851 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -75.88 -40.63 54.15 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.138 0.975 . . . . 0.0 113.221 164.854 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -59.15 -39.62 83.02 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 124.295 1.038 . . . . 0.0 112.774 -172.742 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -41.59 84.76 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -70.71 -46.38 63.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.232 1.013 . . . . 0.0 112.335 177.852 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -69.83 -16.78 63.33 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 173.497 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.03 -22.13 7.73 Favored Glycine 0 CA--C 1.535 1.329 0 CA-C-O 119.113 -0.826 . . . . 0.0 114.248 -168.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.8 p -116.94 167.45 11.12 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.941 1.371 . . . . 0.0 112.996 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -79.49 -28.63 41.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.276 1.03 . . . . 0.0 112.908 175.225 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -148.39 115.44 6.11 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.51 1.524 . . . . 0.0 111.239 166.659 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 t -82.65 -20.1 36.93 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 178.626 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.87 -13.47 59.67 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.018 -1.676 . . . . 0.0 115.308 -175.178 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -75.02 -24.91 58.43 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.159 -0.963 . . . . 0.0 112.782 175.065 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -83.22 140.15 32.7 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.127 0.971 . . . . 0.0 111.323 -177.532 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -122.66 -22.07 5.48 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.023 0.929 . . . . 0.0 112.522 -175.177 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -148.96 169.25 21.01 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.412 0.894 . . . . 0.0 113.412 171.667 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -141.75 154.83 45.53 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 126.57 1.948 . . . . 0.0 111.274 178.36 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.732 HG11 HD23 ' B' ' 20' ' ' LEU . 10.5 p -138.71 135.42 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.201 1.401 . . . . 0.0 109.893 178.243 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.9 mt -120.22 128.55 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 125.294 1.438 . . . . 0.0 107.467 -168.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.2 mt -113.59 123.86 50.98 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.8 1.24 . . . . 0.0 109.362 177.153 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 p -116.64 167.35 11.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.371 0.668 . . . . 0.0 111.466 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -54.01 164.42 0.62 Allowed 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.708 -0.62 . . . . 0.0 111.925 163.446 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.29 34.2 18.69 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 176.899 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 70.15 11.21 7.55 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.797 2.439 . . . . 0.0 114.985 172.179 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.95 137.1 43.71 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-N 119.295 0.952 . . . . 0.0 113.293 -179.345 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -144.31 110.25 5.37 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.975 2.11 . . . . 0.0 108.743 -179.318 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -127.33 117.36 22.08 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.25 -0.906 . . . . 0.0 109.304 -172.544 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -122.6 131.91 54.04 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.672 0.789 . . . . 0.0 112.921 -172.515 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.5 t -143.07 122.11 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.672 1.189 . . . . 0.0 110.841 -160.14 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -78.09 130.11 36.02 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 122.147 0.975 . . . . 0.0 110.453 168.351 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.5 mt -77.27 -0.36 25.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.191 1.797 . . . . 0.0 112.613 178.389 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -68.07 -10.29 52.77 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.009 1.724 . . . . 0.0 114.389 176.692 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.5 p -142.8 144.02 27.99 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 119.523 1.056 . . . . 0.0 111.355 -177.529 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.25 157.64 25.16 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.936 3.091 . . . . 0.0 114.314 171.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.95 155.28 13.65 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.445 1.498 . . . . 0.0 112.598 171.808 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.15 158.34 43.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.727 1.611 . . . . 0.0 112.142 -175.859 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -57.06 -33.35 67.17 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -165.382 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -66.58 -44.94 80.83 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 120.971 -1.08 . . . . 0.0 111.002 176.671 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -68.5 -22.95 64.5 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.339 1.456 . . . . 0.0 112.23 176.66 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -68.98 -24.7 64.27 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 171.058 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -124.86 -6.95 7.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -167.164 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.15 139.6 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.49 1.116 . . . . 0.0 111.593 170.481 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.42 151.96 22.22 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.314 1.046 . . . . 0.0 111.584 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.3 mt -90.09 145.07 25.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.51 1.124 . . . . 0.0 112.412 -178.726 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.6 mt -70.13 -32.1 69.94 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.282 1.033 . . . . 0.0 113.716 174.369 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.93 -175.3 41.48 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 123.865 0.745 . . . . 0.0 114.045 -175.632 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -63.69 147.36 51.82 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.844 1.257 . . . . 0.0 113.372 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttt -67.03 65.42 0.06 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 129.107 2.963 . . . . 0.0 113.885 -176.419 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -55.3 -47.97 74.79 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.914 -1.116 . . . . 0.0 112.672 -175.909 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -158.57 160.09 36.23 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 176.446 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.1 m -132.91 142.16 48.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.563 1.145 . . . . 0.0 109.409 167.681 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -125.51 149.98 47.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.283 1.833 . . . . 0.0 110.562 179.567 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -134.72 151.73 51.22 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.236 1.014 . . . . 0.0 112.506 -172.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.507 ' HE1' HG12 ' A' ' 63' ' ' VAL . 37.6 m-85 -134.66 131.33 37.61 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.392 -0.817 . . . . 0.0 110.715 -168.746 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -75.09 163.39 27.63 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.488 0.715 . . . . 0.0 111.895 178.635 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . 0.254 53.6 pttt -65.95 64.34 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.507 1.923 . . . . 0.0 114.603 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.62 32.71 0.05 OUTLIER Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.489 1.995 . . . . 0.0 114.213 178.457 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -132.66 160.43 36.73 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.082 1.441 . . . . 0.0 112.822 -163.752 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 99.0 p -142.83 10.55 1.79 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 174.028 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -141.66 129.86 22.21 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.921 -1.112 . . . . 0.0 108.828 163.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.4 t -62.41 154.27 28.77 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -172.268 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.7 m -131.43 -0.16 4.02 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.49 1.916 . . . . 0.0 113.799 172.305 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -139.23 137.48 35.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.308 1.443 . . . . 0.0 110.161 176.31 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.432 HG23 ' CD2' ' B' ' 13' ' ' HIS . 2.5 m -149.58 160.61 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 125.484 1.513 . . . . 0.0 112.837 -164.279 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.8 mt -144.09 121.3 5.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 -177.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -100.6 145.04 28.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.706 1.202 . . . . 0.0 110.267 -172.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.87 -174.26 27.34 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 114.764 0.666 . . . . 0.0 114.764 -175.543 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -64.11 138.24 60.9 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.821 2.347 . . . . 0.0 111.691 -175.126 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.05 149.43 5.46 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 127.511 2.481 . . . . 0.0 110.989 173.192 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -135.51 -10.94 2.14 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.954 1.702 . . . . 0.0 113.838 -170.764 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -157.96 114.75 2.89 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 122.616 1.198 . . . . 0.0 113.955 164.218 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -69.79 5.79 1.39 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.79 1.236 . . . . 0.0 113.036 168.722 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.473 0.725 0 C-N-CA 124.819 1.248 . . . . 0.0 114.019 -170.27 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.472 0 CA-C-O 119.368 -0.685 . . . . 0.0 113.826 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.432 ' CD2' HG23 ' A' ' 109' ' ' VAL . 54.2 p-80 . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 122.608 1.194 . . . . 0.0 111.623 160.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 120.694 0.283 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -139.64 6.43 2.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.088 1.355 . . . . 0.0 113.726 -179.416 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -25.05 11.99 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.313 0.961 . . . . 0.0 112.524 163.547 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -101.17 93.7 5.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.753 1.621 . . . . 0.0 108.573 166.742 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.4 t -138.58 174.38 10.59 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.561 1.544 . . . . 0.0 110.926 179.255 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.732 HD23 HG11 ' A' ' 63' ' ' VAL . 48.7 tp -123.39 129.82 51.84 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.436 1.494 . . . . 0.0 107.974 161.852 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -98.14 90.91 5.03 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.825 2.85 . . . . 0.0 111.997 -175.895 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 CA--C 1.556 1.186 0 C-N-CA 128.442 2.697 . . . . 0.0 112.848 176.732 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.4 m -139.78 15.37 2.5 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -167.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.58 52.73 32.52 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.271 0.938 . . . . 0.0 113.299 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 mt -126.77 147.74 62.25 Favored Pre-proline 0 CA--C 1.542 0.642 0 C-N-CA 125.433 1.493 . . . . 0.0 111.244 -170.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -68.32 156.97 63.78 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 121.843 1.695 . . . . 0.0 110.188 163.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -132.77 -2.01 3.35 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.8 p -131.1 127.5 38.27 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 121.025 1.739 . . . . 0.0 111.383 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -42.69 82.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.103 0.961 . . . . 0.0 112.473 -173.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.75 -37.99 44.08 Favored Glycine 0 CA--C 1.534 1.231 0 N-CA-C 115.107 0.803 . . . . 0.0 115.107 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -69.17 -41.79 76.74 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.352 1.076 . . . . 0.0 112.313 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 tt -70.25 -40.2 74.55 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.276 1.03 . . . . 0.0 112.037 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -54.54 -46.23 73.57 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.429 1.492 . . . . 0.0 112.146 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.88 -40.76 96.53 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.479 0.311 . . . . 0.0 110.718 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -63.75 -44.1 94.51 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.976 -0.535 . . . . 0.0 111.832 174.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.4 mt -66.54 -41.02 89.36 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -71.72 -26.16 62.37 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.036 -1.04 . . . . 0.0 112.703 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -64.98 -46.89 79.58 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.809 -0.615 . . . . 0.0 112.038 161.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.418 ' HB3' ' CD1' ' A' ' 110' ' ' ILE . 6.0 m-85 -53.13 -31.92 44.81 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.668 1.587 . . . . 0.0 114.511 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.04 -52.47 59.24 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.047 1.294 . . . . 0.0 113.06 170.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -66.14 -40.98 91.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.904 0.774 . . . . 0.0 112.23 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -71.59 -17.49 62.29 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.774 2.029 . . . . 0.0 114.49 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.1 -6.78 1.63 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 116.982 1.553 . . . . 0.0 116.982 -162.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.6 p -100.59 170.43 8.38 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 119.447 1.623 . . . . 0.0 110.737 163.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -82.1 -31.72 30.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.596 1.159 . . . . 0.0 110.528 161.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -148.85 121.34 8.51 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.25 1.42 . . . . 0.0 112.884 173.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.3 t -90.3 -22.43 21.57 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.699 1.199 . . . . 0.0 113.628 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.52 -15.68 19.65 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -168.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -81.04 -17.86 48.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.28 1.832 . . . . 0.0 114.317 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 70.6 m-85 -80.51 156.97 26.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.106 0.963 . . . . 0.0 113.217 -172.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -136.24 -40.57 0.66 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.267 1.427 . . . . 0.0 112.307 -167.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' HE3' ' CD2' ' B' ' 22' ' ' LEU . 35.0 pttt -150.15 171.48 16.83 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.859 0.837 . . . . 0.0 113.197 174.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -141.02 154.28 45.92 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.952 1.701 . . . . 0.0 111.248 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.64 HG11 HD23 ' B' ' 20' ' ' LEU . 14.3 p -140.29 140.9 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.734 1.614 . . . . 0.0 109.358 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.4 mt -130.35 126.35 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.149 1.379 . . . . 0.0 108.027 -160.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.9 mt -117.42 127.06 53.66 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.308 1.043 . . . . 0.0 109.317 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.1 p -119.21 171.88 7.98 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.411 0.684 . . . . 0.0 112.019 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -52.09 164.53 0.28 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.736 -0.602 . . . . 0.0 110.462 160.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 59.62 30.8 20.44 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.658 1.183 . . . . 0.0 112.898 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 48.37 31.12 2.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.556 2.742 . . . . 0.0 115.171 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.33 141.78 47.39 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 121.141 -0.974 . . . . 0.0 112.668 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -140.44 129.5 23.48 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 127.022 2.129 . . . . 0.0 107.629 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -143.64 143.83 31.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.441 1.497 . . . . 0.0 109.165 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 t -144.08 135.56 25.84 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.002 0.819 . . . . 0.0 112.655 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.0 t -143.0 116.36 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.952 1.301 . . . . 0.0 110.569 -168.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -67.64 118.16 10.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.269 0.627 . . . . 0.0 109.921 162.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.7 mt -69.52 -20.13 63.71 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.985 1.714 . . . . 0.0 112.285 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -65.79 -19.29 65.83 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.422 1.489 . . . . 0.0 114.591 -177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.4 p -142.2 138.9 17.13 Favored Pre-proline 0 N--CA 1.479 0.995 0 CA-C-N 119.802 1.183 . . . . 0.0 111.846 -170.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.26 130.6 36.8 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.416 2.744 . . . . 0.0 114.095 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -76.83 136.13 38.92 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.748 -0.595 . . . . 0.0 111.578 170.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.4 167.06 22.43 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.11 -42.58 39.65 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.721 1.209 . . . . 0.0 114.18 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -68.78 -20.54 64.35 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.263 -0.898 . . . . 0.0 112.609 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -89.37 -35.38 16.1 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.158 1.383 . . . . 0.0 111.336 171.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.8 -26.77 66.02 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.403 -0.811 . . . . 0.0 112.524 170.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -113.82 7.41 17.05 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.248 1.419 . . . . 0.0 113.09 -173.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.74 145.94 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.795 -1.191 . . . . 0.0 110.686 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.21 134.35 36.11 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -167.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.4 mt -82.06 128.79 34.47 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.804 1.242 . . . . 0.0 111.876 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.48 -30.46 61.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.715 1.606 . . . . 0.0 114.491 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.03 -179.53 40.63 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-N 119.083 0.856 . . . . 0.0 114.357 -174.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -68.38 154.19 42.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.498 1.119 . . . . 0.0 113.602 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 35.8 ttp -73.33 62.93 0.72 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.939 2.496 . . . . 0.0 114.598 -170.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -57.34 -46.38 83.35 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -147.45 150.27 34.29 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.056 0.943 . . . . 0.0 112.632 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.8 m -136.53 144.42 44.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.46 1.504 . . . . 0.0 109.836 166.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -129.44 147.31 51.24 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.403 1.881 . . . . 0.0 110.492 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -139.37 147.94 42.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.33 1.052 . . . . 0.0 112.754 -169.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.419 ' HE1' HG12 ' A' ' 63' ' ' VAL . 17.4 m-85 -135.25 136.97 42.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.857 1.263 . . . . 0.0 110.828 -167.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -74.02 165.55 24.94 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 173.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -54.89 67.56 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 129.725 3.21 . . . . 0.0 113.848 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.71 8.95 1.2 Allowed Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.925 1.726 . . . . 0.0 116.555 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -103.43 157.02 17.32 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 121.023 2.411 . . . . 0.0 114.5 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.1 m -137.92 24.41 2.82 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.548 1.539 . . . . 0.0 113.511 168.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -147.25 124.69 11.65 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.861 1.664 . . . . 0.0 108.131 160.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.2 p -62.33 156.78 21.42 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -167.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t -127.7 -5.13 5.81 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -131.78 142.15 49.67 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.981 1.312 . . . . 0.0 109.117 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.486 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -152.43 154.68 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 126.161 1.784 . . . . 0.0 111.144 -169.417 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 12.6 mt -147.14 130.45 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -104.22 167.57 9.67 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.56 -172.78 35.78 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 121.543 -0.723 . . . . 0.0 114.174 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.02 133.53 29.25 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.488 2.125 . . . . 0.0 110.589 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 157.24 -25.07 0.47 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.214 1.864 . . . . 0.0 113.823 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.9 tttt 58.4 -24.65 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 129.121 2.968 . . . . 0.0 117.669 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.4 t -164.83 161.96 20.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.37 1.868 . . . . 0.0 109.118 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -78.97 -23.77 44.28 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.305 -0.872 . . . . 0.0 112.701 167.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -75.84 108.34 8.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.506 1.122 . . . . 0.0 112.603 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -14.27 95.05 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 127.685 2.394 . . . . 0.0 117.305 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.85 86.15 0.09 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.154 1.782 . . . . 0.0 112.74 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 124.934 1.294 . . . . 0.0 112.283 -168.732 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -154.21 130.19 10.23 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.711 2.404 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -157.94 146.59 14.38 Favored Pre-proline 0 N--CA 1.478 0.951 0 O-C-N 121.524 -0.735 . . . . 0.0 112.383 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -51.63 143.9 35.36 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.564 2.843 . . . . 0.0 111.503 154.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . 0.27 21.0 m-20 47.44 -144.46 0.33 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.626 1.97 . . . . 0.0 113.886 165.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.409 ' HA2' HG12 ' A' ' 110' ' ' ILE . . . 78.61 138.5 1.41 Allowed Glycine 0 CA--C 1.534 1.273 0 CA-C-N 108.74 -3.845 . . . . 0.0 117.139 160.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.486 ' CD2' HG23 ' A' ' 109' ' ' VAL . 51.3 p-80 -154.71 154.36 32.75 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 123.023 1.392 . . . . 0.0 113.638 160.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -140.66 143.42 35.12 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 120.669 -1.269 . . . . 0.0 111.769 -171.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -129.58 19.42 5.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.186 0.994 . . . . 0.0 113.559 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -34.31 2.46 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.738 -1.226 . . . . 0.0 114.229 166.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.18 -10.83 60.31 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.195 0.998 . . . . 0.0 113.013 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -40.28 154.24 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 128.274 2.63 . . . . 0.0 116.999 -172.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.64 HD23 HG11 ' A' ' 63' ' ' VAL . 51.6 tp -101.7 132.87 47.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.584 1.183 . . . . 0.0 108.355 161.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -108.73 82.12 1.56 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 131.597 3.959 . . . . 0.0 111.679 -168.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.428 ' CD2' ' HE3' ' A' ' 61' ' ' LYS . 6.1 mp -63.45 16.69 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 127.942 2.497 . . . . 0.0 115.766 -176.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -137.1 -5.58 1.87 Allowed 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 116.288 1.958 . . . . 0.0 116.288 -166.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 9.5 t -157.73 148.44 16.16 Favored Pre-proline 0 N--CA 1.48 1.041 0 CA-C-N 119.794 1.179 . . . . 0.0 112.334 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -89.6 169.35 4.74 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 124.795 3.663 . . . . 0.0 113.151 169.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . 0.266 8.1 p 51.95 128.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 130.966 3.706 . . . . 0.0 117.895 170.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -122.83 -21.84 5.46 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.624 1.57 . . . . 0.0 113.487 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.85 148.54 31.3 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 122.289 1.043 . . . . 0.0 111.486 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 120.444 -1.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -140.37 -14.95 0.98 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 172.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.93 -174.0 28.53 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 119.418 1.008 . . . . 0.0 115.585 168.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -120.12 164.82 20.36 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 126.585 1.954 . . . . 0.0 111.503 -172.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -49.17 156.74 2.22 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 124.497 3.464 . . . . 0.0 116.809 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t -148.66 14.07 0.94 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.9 1.68 . . . . 0.0 113.83 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.1 p -97.39 144.43 27.15 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.944 -1.098 . . . . 0.0 110.97 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.6 tp -66.85 -32.76 74.25 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.457 0.703 . . . . 0.0 112.528 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.95 -42.59 94.9 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 120.018 1.281 . . . . 0.0 114.397 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.98 -35.56 80.9 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.624 -0.927 . . . . 0.0 112.195 174.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tt -70.12 -41.06 74.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.424 1.089 . . . . 0.0 112.325 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.88 -41.93 88.27 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.272 1.429 . . . . 0.0 112.123 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -61.02 -41.92 97.46 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.886 -0.508 . . . . 0.0 110.483 172.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -64.34 -46.02 85.3 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 121.79 -0.569 . . . . 0.0 111.526 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.36 -36.3 83.59 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.589 1.086 . . . . 0.0 113.136 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -66.12 -31.57 72.5 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.371 0.669 . . . . 0.0 111.614 171.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -67.34 -48.95 66.01 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.423 166.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -54.33 -34.38 60.9 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.09 -49.87 68.34 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.194 -0.941 . . . . 0.0 113.321 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -69.1 -43.33 74.71 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.301 0.501 . . . . 0.0 111.578 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -60.42 -28.34 68.19 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.481 1.912 . . . . 0.0 113.779 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.69 -14.15 4.39 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 117.682 1.833 . . . . 0.0 117.682 -160.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.1 p -119.13 160.48 22.01 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 118.746 1.273 . . . . 0.0 111.107 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.56 -40.02 77.04 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.072 0.549 . . . . 0.0 112.192 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -153.08 90.2 1.43 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.093 1.757 . . . . 0.0 110.998 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.3 p -60.0 -19.55 53.01 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -22.33 64.51 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 -175.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -74.29 -23.47 59.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.243 1.017 . . . . 0.0 112.898 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 94.3 m-85 -76.08 146.33 39.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.305 1.042 . . . . 0.0 111.055 177.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -128.34 -23.67 3.2 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -174.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -152.19 172.31 16.58 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.061 1.344 . . . . 0.0 112.554 168.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -138.92 157.44 46.03 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 126.71 2.004 . . . . 0.0 110.436 175.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.5 t -135.8 138.22 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.548 1.139 . . . . 0.0 108.827 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.9 mt -126.8 134.44 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.22 1.408 . . . . 0.0 108.162 -163.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.9 mt -122.28 134.86 54.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.455 1.502 . . . . 0.0 109.65 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.9 p -128.54 173.86 9.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.501 0.72 . . . . 0.0 112.51 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -54.04 169.9 0.15 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.71 0.767 . . . . 0.0 111.1 160.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 52.93 32.19 12.18 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.214 1.406 . . . . 0.0 113.069 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt 49.98 32.64 5.85 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.79 2.836 . . . . 0.0 115.466 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.21 147.49 49.14 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.88 -0.513 . . . . 0.0 113.168 170.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -151.03 127.88 10.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.901 2.08 . . . . 0.0 109.156 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -143.17 121.82 12.55 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.552 0.741 . . . . 0.0 111.015 -173.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.9 t -94.75 136.62 34.85 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.018 0.826 . . . . 0.0 110.866 167.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.9 t -142.9 127.55 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.536 1.534 . . . . 0.0 109.851 -175.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -84.63 144.27 28.7 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.558 -0.714 . . . . 0.0 112.153 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.1 mt -107.72 -18.47 13.82 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -72.96 -0.35 13.47 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.524 1.057 . . . . 0.0 113.032 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.7 p -148.77 156.25 41.27 Favored Pre-proline 0 C--O 1.24 0.559 0 C-N-CA 126.015 1.726 . . . . 0.0 110.658 -164.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.11 148.92 83.29 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 122.805 2.337 . . . . 0.0 111.329 157.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -91.52 151.32 20.81 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.32 0.581 . . . . 0.0 111.602 170.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.67 148.31 49.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.562 0.745 . . . . 0.0 112.58 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -57.05 -34.45 68.26 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -174.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.21 -29.82 68.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.263 1.025 . . . . 0.0 112.046 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -90.15 -28.87 18.65 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.796 2.038 . . . . 0.0 111.203 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -61.8 -35.29 77.76 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.113 0.869 . . . . 0.0 111.53 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -105.16 2.04 28.88 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.49 140.98 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.731 1.151 . . . . 0.0 112.187 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -79.22 116.7 19.64 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.257 1.423 . . . . 0.0 110.757 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.48 135.63 57.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.547 1.139 . . . . 0.0 112.255 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.1 -26.7 68.33 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.903 0.881 . . . . 0.0 113.072 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.51 -172.37 36.8 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.347 1.451 . . . . 0.0 113.474 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -69.76 153.01 43.95 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.88 2.072 . . . . 0.0 113.05 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 40.3 ttp -70.03 64.56 0.23 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.488 2.315 . . . . 0.0 115.107 -171.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.24 -49.43 33.3 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -163.14 156.7 19.71 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.694 1.134 . . . . 0.0 112.196 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.6 m -138.35 151.03 47.16 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.076 1.35 . . . . 0.0 111.02 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -132.28 143.6 50.01 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.638 2.375 . . . . 0.0 110.201 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -135.88 141.19 44.57 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.91 0.884 . . . . 0.0 112.21 -170.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -132.11 131.58 42.47 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.462 1.105 . . . . 0.0 111.382 -163.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -81.72 166.63 19.91 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 177.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -36.92 101.71 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.114 2.166 . . . . 0.0 114.085 170.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.8 4.0 79.65 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.602 1.096 . . . . 0.0 115.543 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -86.4 161.65 18.55 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.953 1.377 . . . . 0.0 112.165 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.9 m -139.83 25.66 2.33 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.025 1.73 . . . . 0.0 112.676 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -144.63 140.85 28.96 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.696 1.598 . . . . 0.0 108.369 163.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.3 p -70.78 155.25 41.01 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 p -125.69 -8.83 6.76 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.908 1.283 . . . . 0.0 113.798 167.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -130.68 140.72 50.38 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.162 1.385 . . . . 0.0 108.758 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.464 HG23 ' NE2' ' B' ' 13' ' ' HIS . 2.5 m -149.77 154.95 8.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 125.861 1.664 . . . . 0.0 110.846 -171.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.6 mt -145.63 132.74 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -173.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -102.74 138.92 39.0 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 124.331 1.052 . . . . 0.0 109.743 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.41 -178.74 24.67 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 114.131 0.412 . . . . 0.0 114.131 -174.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.71 131.33 27.26 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.732 2.288 . . . . 0.0 112.621 -173.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.35 -30.05 0.18 Allowed Glycine 0 CA--C 1.539 1.533 0 N-CA-C 116.086 1.194 . . . . 0.0 116.086 173.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? 69.23 -32.74 0.23 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 127.093 2.157 . . . . 0.0 115.575 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -164.33 161.33 21.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.081 1.352 . . . . 0.0 110.867 172.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -76.21 -33.31 59.25 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.795 -0.566 . . . . 0.0 111.974 164.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -85.95 52.73 2.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.454 1.502 . . . . 0.0 112.523 -170.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 31.1 p90 50.37 148.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 131.04 3.736 . . . . 0.0 117.941 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -149.03 17.76 0.97 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 116.772 2.138 . . . . 0.0 116.772 -167.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 C--O 1.252 1.193 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 179.888 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.9 t -138.44 11.57 2.76 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.414 1.086 . . . . 0.0 113.84 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.17 160.04 31.05 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 124.784 1.234 . . . . 0.0 112.327 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.97 160.54 0.47 Allowed 'Trans proline' 0 CA--C 1.543 0.929 1 C-N-CA 125.529 4.153 . . . . 0.0 116.784 171.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.3 104.12 10.63 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.083 -1.011 . . . . 0.0 109.582 167.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.94 176.72 4.4 Favored Glycine 0 CA--C 1.535 1.313 1 CA-C-N 107.145 -4.571 . . . . 0.0 113.893 170.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.464 ' NE2' HG23 ' A' ' 109' ' ' VAL . 44.3 p-80 -155.4 149.0 25.18 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.097 -1.237 . . . . 0.0 111.94 173.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -161.25 171.21 18.79 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 120.614 -1.304 . . . . 0.0 112.335 -169.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -141.86 -26.12 0.67 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.844 2.058 . . . . 0.0 112.306 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -70.0 -25.37 63.57 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.17 0.896 . . . . 0.0 113.208 -171.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -114.65 8.14 16.18 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.513 1.925 . . . . 0.0 113.179 -174.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -55.28 150.34 11.36 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -172.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.3 tp -92.71 123.57 36.09 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 166.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -102.63 96.87 7.17 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.831 2.452 . . . . 0.0 111.637 -173.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -81.11 -1.81 45.85 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 128.464 2.706 . . . . 0.0 115.119 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -62.07 148.98 42.43 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 123.148 1.451 . . . . 0.0 113.616 -167.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.401 ' H ' ' HD3' ' B' ' 25' ' ' PRO . 11.0 t -158.44 28.33 0.03 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 -170.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.401 ' HD3' ' H ' ' B' ' 24' ' ' THR . 71.7 Cg_endo -70.76 153.45 64.33 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.858 2.372 . . . . 0.0 113.782 -178.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.8 p -159.34 10.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 55.27 -21.16 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 128.35 2.66 . . . . 0.0 117.94 -171.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -152.5 81.65 1.24 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.168 1.787 . . . . 0.0 111.116 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 120.885 -1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -155.92 -45.71 0.08 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.477 1.111 . . . . 0.0 111.732 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.44 -176.63 31.12 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 123.894 0.759 . . . . 0.0 113.961 -177.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.68 146.81 54.62 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.613 1.165 . . . . 0.0 110.877 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -60.26 166.94 8.4 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 122.435 2.09 . . . . 0.0 111.155 158.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t -144.13 1.18 1.09 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 p -136.9 132.44 34.51 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.17 -33.28 70.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.059 0.943 . . . . 0.0 113.039 -177.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.71 -44.09 79.95 Favored Glycine 0 CA--C 1.536 1.351 0 O-C-N 120.966 -1.084 . . . . 0.0 114.06 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 10.5 mmpt? -65.92 -37.42 86.01 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.353 1.076 . . . . 0.0 112.667 174.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.4 tp -66.72 -44.12 82.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.491 -0.766 . . . . 0.0 112.397 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -55.41 -43.46 75.31 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.161 1.346 . . . . 0.0 111.974 173.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.0 -22.76 65.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.572 1.549 . . . . 0.0 112.449 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -86.05 -48.07 8.99 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 120.752 -1.217 . . . . 0.0 112.796 165.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.15 -34.33 77.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.638 1.563 . . . . 0.0 113.629 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -64.17 -34.15 77.41 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.496 0.589 . . . . 0.0 111.447 169.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -71.33 -39.39 71.39 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.785 169.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.43 ' HA ' ' HE1' ' B' ' 11' ' ' TYS . 71.4 m-85 -60.44 -24.7 65.42 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.369 1.44 . . . . 0.0 114.507 170.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.85 -51.45 22.34 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.797 1.18 . . . . 0.0 113.716 164.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -68.68 -40.7 79.96 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.297 0.953 . . . . 0.0 112.313 -174.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -75.99 -10.61 59.56 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.301 1.84 . . . . 0.0 113.742 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.16 -17.58 2.44 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 117.361 1.704 . . . . 0.0 117.361 -170.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.4 p -112.4 159.93 18.23 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.116 1.958 . . . . 0.0 112.563 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.425 ' H ' ' HO3' ' B' ' 14' ' ' TYS . 34.9 mtmm -67.67 -34.18 76.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.704 1.602 . . . . 0.0 112.576 176.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -163.34 97.29 0.89 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.844 2.458 . . . . 0.0 111.155 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 t -59.64 -23.87 63.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.237 1.415 . . . . 0.0 114.781 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -5.77 2.95 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -92.58 -6.12 50.19 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.767 -1.208 . . . . 0.0 113.403 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 78.6 m-85 -88.05 153.44 21.27 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.987 1.267 . . . . 0.0 113.031 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -134.94 -40.66 0.76 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.079 1.351 . . . . 0.0 112.465 -165.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -147.15 171.7 14.94 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 169.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -135.62 159.72 40.75 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.201 1.4 . . . . 0.0 112.076 172.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.0 t -138.99 135.09 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 126.284 1.834 . . . . 0.0 108.562 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mt -127.9 133.11 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.674 1.59 . . . . 0.0 108.395 -165.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -117.78 113.14 21.37 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.631 1.172 . . . . 0.0 107.925 173.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.1 p -98.68 171.23 8.24 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.333 0.587 . . . . 0.0 111.476 -177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -58.47 165.27 2.19 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.451 -0.78 . . . . 0.0 110.67 160.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 54.11 39.85 31.07 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.212 1.405 . . . . 0.0 113.858 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt 56.83 25.93 10.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.088 2.155 . . . . 0.0 114.999 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.1 143.72 40.01 Favored Glycine 0 CA--C 1.533 1.178 0 O-C-N 121.182 -0.949 . . . . 0.0 112.789 169.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -138.79 132.52 30.75 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 127.081 2.152 . . . . 0.0 107.015 170.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -145.46 144.38 30.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.814 0.846 . . . . 0.0 111.058 -177.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.8 t -135.02 143.6 46.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.361 1.065 . . . . 0.0 112.393 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.85 128.98 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.836 1.655 . . . . 0.0 110.135 -172.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -86.44 92.72 8.93 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.357 1.463 . . . . 0.0 112.247 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.02 -13.34 2.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.777 2.431 . . . . 0.0 115.215 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -59.55 -16.09 22.68 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 163.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.6 p -146.01 148.64 36.23 Favored Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 125.445 1.498 . . . . 0.0 110.885 -167.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -71.36 122.26 8.5 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 123.934 3.09 . . . . 0.0 111.024 171.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -63.81 136.56 57.52 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.581 -0.699 . . . . 0.0 111.82 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.15 158.82 15.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.894 0.878 . . . . 0.0 112.976 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -59.14 -33.27 70.69 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -170.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -71.86 -33.19 68.19 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.723 -1.236 . . . . 0.0 112.136 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.75 -28.23 60.67 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.327 1.051 . . . . 0.0 111.964 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -61.16 -26.32 67.62 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.842 -1.162 . . . . 0.0 112.3 166.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -118.02 20.38 13.28 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.378 1.471 . . . . 0.0 112.621 -171.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.35 142.3 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 CA-C-N 119.452 1.023 . . . . 0.0 111.225 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.59 133.16 48.09 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.982 1.713 . . . . 0.0 114.02 -168.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.3 122.02 34.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.226 1.411 . . . . 0.0 112.527 172.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.11 -28.85 63.55 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.296 1.438 . . . . 0.0 114.826 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -175.05 -177.98 44.55 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-N 119.78 1.173 . . . . 0.0 114.551 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 147.06 12.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.853 2.061 . . . . 0.0 113.711 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.4 ttp -66.15 51.5 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 129.116 2.967 . . . . 0.0 115.011 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -50.34 -47.62 55.82 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.996 1.318 . . . . 0.0 113.921 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.48 140.52 26.29 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.947 0.794 . . . . 0.0 112.273 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.8 m -136.65 145.08 44.41 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.908 0.883 . . . . 0.0 111.043 168.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -124.63 139.3 53.99 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 128.57 2.748 . . . . 0.0 109.834 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -131.81 139.83 48.99 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.291 1.436 . . . . 0.0 110.948 -172.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -129.87 126.47 38.06 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.72 1.208 . . . . 0.0 110.112 -163.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 37.0 mttt -67.79 164.77 18.83 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -63.45 61.18 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.632 3.173 . . . . 0.0 112.022 168.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.93 40.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.943 0 C-N-CA 125.903 1.716 . . . . 0.0 113.569 -176.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -153.17 146.09 24.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.049 1.339 . . . . 0.0 111.761 -167.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.7 m -142.44 38.48 1.54 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.13 1.372 . . . . 0.0 111.367 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.516 ' CE ' HG21 ' B' ' 19' ' ' THR . 72.8 tttt -152.71 119.49 5.72 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.204 2.202 . . . . 0.0 106.251 162.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.0 p -51.68 147.29 6.72 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -168.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.8 t -109.93 -15.26 14.11 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.276 0.63 . . . . 0.0 112.428 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -133.65 140.99 47.42 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 125.206 1.402 . . . . 0.0 109.635 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.418 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -151.44 154.93 7.58 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 C-N-CA 125.46 1.504 . . . . 0.0 111.861 -174.759 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.59 118.36 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -170.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -90.27 109.99 21.06 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.49 -167.96 16.69 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.865 0.745 . . . . 0.0 113.491 -171.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -64.65 122.7 10.65 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.82 2.346 . . . . 0.0 109.499 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 132.48 159.78 9.39 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 127.469 2.461 . . . . 0.0 109.883 -171.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -137.83 -15.39 1.36 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -165.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.8 t -169.08 155.78 6.81 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.269 1.828 . . . . 0.0 108.051 -175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -74.98 -23.82 58.34 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.085 -1.009 . . . . 0.0 111.72 167.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.47 106.95 18.79 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.412 1.085 . . . . 0.0 113.172 -171.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 42.2 p90 37.43 58.22 1.3 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 160.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.16 21.52 0.07 Allowed 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -169.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.25 1.117 0 C-N-CA 125.844 1.658 . . . . 0.0 110.105 168.492 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.9 t -132.72 11.46 4.38 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 127.51 2.324 . . . . 0.0 112.977 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.605 ' H ' ' CD ' ' B' ' 9' ' ' PRO . 3.8 t -147.71 -18.14 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.676 0 N-CA-C 117.863 2.542 . . . . 0.0 117.863 171.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.605 ' CD ' ' H ' ' B' ' 8' ' ' THR . 58.0 Cg_endo -80.94 81.85 2.62 Favored 'Trans proline' 0 C--N 1.355 0.871 0 CA-C-N 123.56 2.307 . . . . 0.0 112.369 -171.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -142.43 72.22 1.37 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.736 2.014 . . . . 0.0 106.674 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' TYS . . . . . 0.43 ' HE1' ' HA ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.16 173.33 0.38 Allowed Glycine 0 CA--C 1.537 1.448 1 CA-C-N 106.647 -4.797 . . . . 0.0 117.698 161.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.418 ' NE2' HG13 ' A' ' 109' ' ' VAL . 44.2 p-80 -153.21 151.36 30.0 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.849 -1.383 . . . . 0.0 113.133 176.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' TYS . . . . . 0.425 ' HO3' ' H ' ' A' ' 54' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.1 -179.51 4.98 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -164.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -136.21 -18.47 1.53 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 169.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -147.34 -17.87 0.39 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 175.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.53 -21.79 66.78 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.516 HG21 ' CE ' ' A' ' 105' ' ' LYS . 8.9 t -37.05 155.72 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.287 2.635 . . . . 0.0 116.491 177.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 41.3 tp -98.33 117.49 32.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 160.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -77.83 134.83 37.91 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.665 0.745 . . . . 0.0 110.413 167.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -113.78 -9.76 13.09 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.662 2.385 . . . . 0.0 110.759 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -155.2 164.5 38.73 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 128.229 2.611 . . . . 0.0 108.291 169.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 6.6 t -50.59 137.46 23.82 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.435 1.894 . . . . 0.0 113.02 167.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -73.0 152.0 50.93 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.704 2.269 . . . . 0.0 112.114 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p 142.19 139.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 131.414 3.885 . . . . 0.0 110.384 172.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.54 -32.59 1.01 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.134 0.974 . . . . 0.0 112.454 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -144.73 110.66 5.42 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.864 1.266 . . . . 0.0 110.438 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 120.321 -1.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.3 m -152.27 144.61 24.01 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.005 1.322 . . . . 0.0 111.424 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.97 -39.36 0.08 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.709 1.147 . . . . 0.0 113.635 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.8 mt -120.89 151.07 54.28 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 125.06 1.344 . . . . 0.0 111.53 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -71.73 166.37 29.69 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.457 2.771 . . . . 0.0 113.357 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 t -136.33 -4.75 2.09 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.959 2.104 . . . . 0.0 113.074 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.0 p -129.9 156.31 44.61 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.348 1.059 . . . . 0.0 111.547 165.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.84 -34.41 69.68 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.897 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.98 -41.38 45.19 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 119.592 1.087 . . . . 0.0 114.637 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -87.09 -35.87 18.45 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.419 1.087 . . . . 0.0 113.068 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.94 -41.85 99.62 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.748 0.704 . . . . 0.0 111.922 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.1 -40.72 86.18 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.224 1.81 . . . . 0.0 113.254 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.8 -40.83 95.88 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -63.8 -47.89 79.07 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.212 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.41 -37.51 83.72 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.281 1.401 . . . . 0.0 114.221 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -66.19 -30.34 70.78 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.538 -0.726 . . . . 0.0 111.245 172.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -74.88 -34.98 62.31 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 117.847 -1.073 . . . . 0.0 112.998 169.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -58.49 -34.03 70.46 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.611 1.55 . . . . 0.0 113.127 171.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.56 -49.85 69.57 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.158 -0.964 . . . . 0.0 112.922 174.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -65.73 -43.45 88.99 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.546 0.612 . . . . 0.0 112.172 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -65.68 -19.16 65.8 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.526 1.13 . . . . 0.0 114.023 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -130.43 -9.44 2.94 Favored Glycine 0 CA--C 1.535 1.317 0 N-CA-C 117.584 1.794 . . . . 0.0 117.584 -161.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 p -128.11 151.8 48.76 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 120.339 2.07 . . . . 0.0 111.89 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -67.17 -30.71 70.75 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -158.17 91.5 1.11 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.825 1.65 . . . . 0.0 112.328 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.6 p -54.75 -27.37 40.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.223 1.809 . . . . 0.0 115.118 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.6 -22.71 66.7 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -166.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -74.86 -18.99 60.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.676 1.19 . . . . 0.0 113.346 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -77.17 155.17 32.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.639 0.775 . . . . 0.0 112.327 -176.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -126.45 -48.05 1.56 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.15 1.38 . . . . 0.0 110.507 -166.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -151.53 178.02 9.73 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.906 1.283 . . . . 0.0 112.339 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -145.47 163.6 34.17 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 125.653 1.581 . . . . 0.0 111.904 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 HD23 ' B' ' 20' ' ' LEU . 11.5 p -145.18 137.14 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.231 1.412 . . . . 0.0 110.437 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.58 137.84 47.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 126.895 2.078 . . . . 0.0 108.817 -170.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 mt -121.97 128.69 51.77 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.584 1.554 . . . . 0.0 109.364 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 p -125.1 174.39 8.08 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -171.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -54.72 167.87 0.33 Allowed 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.588 -0.695 . . . . 0.0 110.064 160.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 56.24 33.84 22.9 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.298 1.039 . . . . 0.0 113.377 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 48.2 30.6 2.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 128.075 2.55 . . . . 0.0 115.315 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.44 138.97 45.35 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.312 -0.867 . . . . 0.0 112.82 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -138.31 126.07 22.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.66 2.384 . . . . 0.0 106.927 172.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -144.98 137.1 25.87 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.302 1.041 . . . . 0.0 110.115 -177.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.3 t -127.54 143.58 51.16 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.025 1.284 . . . . 0.0 112.498 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.7 t -144.16 144.86 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.274 1.829 . . . . 0.0 108.915 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -77.02 154.47 33.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.894 0.854 . . . . 0.0 113.111 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.6 mt -105.89 -18.61 14.0 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.824 1.649 . . . . 0.0 112.35 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -58.34 -27.66 64.37 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.372 0.669 . . . . 0.0 112.497 170.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.6 p -145.23 159.57 48.61 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 126.822 2.049 . . . . 0.0 109.946 -169.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.91 147.56 27.2 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 124.099 3.2 . . . . 0.0 112.779 171.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.28 164.01 23.75 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -171.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.76 143.49 55.84 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.448 1.099 . . . . 0.0 113.891 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -62.35 -22.93 66.49 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 120.89 -1.131 . . . . 0.0 113.961 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.94 -36.58 82.56 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 119.871 -1.768 . . . . 0.0 111.54 170.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -73.96 -13.87 60.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.697 1.199 . . . . 0.0 111.996 174.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -73.18 -13.83 61.24 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 163.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -110.59 -19.18 12.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.963 1.305 . . . . 0.0 113.755 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -64.73 132.44 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.686 0.795 . . . . 0.0 112.029 -172.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -68.92 125.56 27.02 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.702 0.801 . . . . 0.0 110.999 172.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.5 mt -64.87 127.61 32.29 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.552 -0.718 . . . . 0.0 111.048 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.67 -33.19 69.84 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.37 -174.73 39.28 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.498 1.046 . . . . 0.0 113.799 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -63.88 148.82 48.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.422 1.089 . . . . 0.0 112.79 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 37.9 ttp -71.42 63.7 0.39 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 129.198 2.999 . . . . 0.0 115.058 -170.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -56.06 -39.75 72.51 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.843 -1.161 . . . . 0.0 114.028 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -144.1 158.64 43.59 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.407 1.083 . . . . 0.0 112.415 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.0 m -141.72 149.11 40.09 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.417 1.487 . . . . 0.0 110.072 163.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -131.48 150.22 52.23 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.111 1.764 . . . . 0.0 111.545 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -139.47 144.29 37.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.546 1.538 . . . . 0.0 112.12 -169.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -132.54 141.23 48.65 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.105 1.362 . . . . 0.0 111.879 -166.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 160.72 19.44 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -52.76 89.92 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.461 2.704 . . . . 0.0 113.769 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.74 -7.0 17.77 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 126.081 1.8 . . . . 0.0 115.266 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -104.28 162.29 13.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.178 1.791 . . . . 0.0 111.525 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.3 p -141.87 14.11 2.09 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.765 1.626 . . . . 0.0 114.314 -172.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -133.35 142.15 48.27 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.574 1.55 . . . . 0.0 107.434 165.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.7 p -64.2 162.37 14.68 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.261 1.029 . . . . 0.0 113.253 -170.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.2 t -132.89 -10.1 3.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.238 -1.346 . . . . 0.0 112.397 165.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -137.15 140.09 41.61 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.177 1.391 . . . . 0.0 109.125 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.401 HG13 ' CD2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -156.02 153.37 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.691 1.596 . . . . 0.0 111.283 -169.85 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.1 mt -142.33 133.09 24.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -167.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -95.59 142.89 27.38 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.132 0.973 . . . . 0.0 110.922 175.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.53 -169.81 14.57 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 123.27 0.462 . . . . 0.0 113.696 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -66.4 145.25 76.71 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.793 2.328 . . . . 0.0 109.945 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.32 -24.9 2.19 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.883 1.706 . . . . 0.0 113.57 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt 60.54 -18.39 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.872 2.869 . . . . 0.0 117.175 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -171.83 157.58 4.59 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.862 1.665 . . . . 0.0 110.1 -178.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -78.93 -20.35 49.53 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.325 -0.859 . . . . 0.0 112.419 165.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -71.96 68.42 0.67 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.714 2.006 . . . . 0.0 114.793 -170.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 55.12 29.5 12.68 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 118.287 2.699 . . . . 0.0 118.287 160.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 40.83 40.4 0.98 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.314 2.246 . . . . 0.0 115.757 173.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.252 1.185 0 C-N-CA 128.007 2.523 . . . . 0.0 110.009 -173.558 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.1 t -76.71 19.22 0.29 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 22.9 m -139.56 138.28 20.01 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 125.792 1.637 . . . . 0.0 109.567 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -56.19 159.98 11.61 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.495 2.13 . . . . 0.0 112.82 172.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.46 129.74 42.63 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.372 -0.83 . . . . 0.0 110.348 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.21 177.46 6.31 Favored Glycine 0 CA--C 1.533 1.16 1 CA-C-N 108.172 -4.104 . . . . 0.0 114.807 167.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.401 ' CD2' HG13 ' A' ' 109' ' ' VAL . 47.6 p-80 -148.89 143.06 25.99 Favored 'General case' 0 CA--C 1.513 -0.447 0 O-C-N 121.219 -1.165 . . . . 0.0 111.787 171.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.17 159.44 23.29 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.069 1.347 . . . . 0.0 113.197 -174.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -142.01 31.24 1.59 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.107 1.763 . . . . 0.0 111.321 164.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -163.73 -27.2 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.164 1.385 . . . . 0.0 114.599 -167.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -95.84 -17.87 20.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.182 2.193 . . . . 0.0 112.052 -166.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -49.0 153.05 0.94 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 129.989 3.316 . . . . 0.0 118.767 -165.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.664 HD23 HG11 ' A' ' 63' ' ' VAL . 37.9 tp -99.61 134.41 42.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.107 1.363 . . . . 0.0 108.042 160.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -111.04 95.5 5.58 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 127.225 2.21 . . . . 0.0 111.052 -174.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mp -74.14 -31.59 62.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.484 1.514 . . . . 0.0 111.696 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 15.4 m120 10.76 91.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 130.528 3.531 . . . . 0.0 115.577 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.517 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 9.0 t -146.33 -2.69 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.158 0 N-CA-C 117.343 2.349 . . . . 0.0 117.343 -160.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.517 ' CD ' ' H ' ' B' ' 24' ' ' THR . 74.1 Cg_endo -67.06 147.63 80.03 Favored 'Trans proline' 0 C--N 1.358 1.033 0 CA-C-N 123.965 2.452 . . . . 0.0 112.088 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 p -151.63 161.96 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.252 1.021 . . . . 0.0 111.089 -172.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -110.1 -28.33 8.73 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.084 0.954 . . . . 0.0 112.017 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -151.89 102.11 2.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.461 1.504 . . . . 0.0 109.312 168.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 120.252 -1.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.3 t -152.99 -73.68 0.14 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.289 1.036 . . . . 0.0 111.119 173.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.27 178.2 26.71 Favored Glycine 0 CA--C 1.538 1.524 0 CA-C-N 119.39 0.996 . . . . 0.0 115.291 176.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.6 mt -78.95 154.79 77.86 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.462 1.505 . . . . 0.0 111.137 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -65.31 146.19 85.4 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.568 2.178 . . . . 0.0 113.77 -172.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -145.92 57.03 1.21 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.41 1.884 . . . . 0.0 108.267 160.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -126.72 154.75 43.73 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.792 1.237 . . . . 0.0 111.982 -168.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.7 mt -63.67 -29.92 71.09 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.36 -0.828 . . . . 0.0 111.673 167.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.83 -36.64 6.73 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 120.153 1.342 . . . . 0.0 115.086 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -95.02 -45.92 7.04 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.418 1.109 . . . . 0.0 113.393 166.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.36 -43.91 76.41 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -172.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.21 -38.74 90.31 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 120.185 1.357 . . . . 0.0 110.867 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.27 -45.99 92.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.979 0.912 . . . . 0.0 111.163 169.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -68.07 -38.81 82.84 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.396 1.078 . . . . 0.0 113.126 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.79 -31.69 66.85 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.453 -1.405 . . . . 0.0 113.039 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -62.07 -34.0 75.46 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.559 0.618 . . . . 0.0 111.042 166.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.06 -45.59 73.45 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.576 170.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -54.13 -41.75 68.72 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.0 -43.24 93.19 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.075 1.307 . . . . 0.0 113.337 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -69.09 -43.87 73.63 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.58 1.082 . . . . 0.0 112.007 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -61.54 -21.06 63.94 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.956 1.302 . . . . 0.0 113.954 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.16 -41.82 0.53 Allowed Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -160.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.5 p -92.85 167.88 11.54 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.884 1.342 . . . . 0.0 112.238 -177.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.25 -35.84 66.3 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.251 -0.906 . . . . 0.0 111.936 168.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -146.41 112.97 5.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.098 0.959 . . . . 0.0 112.466 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.9 t -67.82 -28.17 67.34 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.02 1.328 . . . . 0.0 113.258 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.88 -12.18 58.44 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -81.73 -14.82 56.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.021 0.928 . . . . 0.0 113.446 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -90.1 132.98 35.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.522 1.129 . . . . 0.0 111.038 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -116.94 -25.71 7.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.002 0.921 . . . . 0.0 112.902 -170.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -150.47 173.29 14.23 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.475 1.11 . . . . 0.0 112.699 168.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -145.08 158.72 43.73 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 126.079 1.751 . . . . 0.0 111.216 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.418 HG21 HD11 ' B' ' 22' ' ' LEU . 94.6 t -137.01 134.82 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 125.072 1.349 . . . . 0.0 109.474 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.3 mt -120.75 130.86 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 125.876 1.671 . . . . 0.0 107.807 -166.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.1 mt -117.17 117.64 30.15 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.0 0.92 . . . . 0.0 108.633 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.9 p -107.81 175.62 5.42 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.558 0.743 . . . . 0.0 111.995 -171.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -53.95 172.98 0.07 Allowed 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.303 -0.873 . . . . 0.0 111.546 160.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 53.43 29.5 8.97 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.126 1.37 . . . . 0.0 113.702 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp 56.83 35.48 26.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.53 1.932 . . . . 0.0 113.626 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.07 150.55 30.68 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.107 0.86 . . . . 0.0 113.438 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.67 136.01 26.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.73 2.412 . . . . 0.0 107.595 176.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -143.1 137.5 29.2 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.134 0.973 . . . . 0.0 110.503 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -117.0 134.16 55.1 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.255 1.022 . . . . 0.0 109.997 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.92 113.63 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.019 0.928 . . . . 0.0 109.747 -160.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -80.84 118.11 22.07 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.47 0.708 . . . . 0.0 110.695 -176.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.5 mt -77.48 -27.77 52.08 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.837 1.255 . . . . 0.0 111.066 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -64.11 0.92 0.8 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.407 1.883 . . . . 0.0 114.125 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.1 p -134.31 138.31 29.98 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.794 1.638 . . . . 0.0 110.218 171.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.71 153.08 45.01 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.704 2.936 . . . . 0.0 113.066 170.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tt -64.73 130.81 44.93 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.599 1.16 . . . . 0.0 110.749 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.65 174.84 9.71 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.488 1.515 . . . . 0.0 112.13 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -47.78 -34.89 9.11 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.59 2.071 . . . . 0.0 116.59 -168.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -71.35 -27.79 63.6 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.987 0.812 . . . . 0.0 112.398 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -89.87 -29.0 18.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.465 1.506 . . . . 0.0 109.986 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -62.12 -27.88 69.24 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.434 1.094 . . . . 0.0 113.825 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -127.56 -1.92 6.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -165.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.93 141.33 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 118.9 0.773 . . . . 0.0 110.836 168.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -106.86 139.56 41.08 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.56 1.171 . . . . 0.0 111.893 172.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.27 149.48 33.55 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.958 2.103 . . . . 0.0 110.728 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.3 -24.91 64.91 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.449 1.099 . . . . 0.0 113.329 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.26 -175.03 36.24 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.987 0.803 . . . . 0.0 114.292 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -66.96 155.14 39.33 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.122 1.369 . . . . 0.0 113.305 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ttt -66.18 64.11 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 129.223 3.009 . . . . 0.0 114.372 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.403 ' CZ ' ' HE2' ' A' ' 95' ' ' LYS . 31.0 t80 -61.24 -45.41 94.66 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.41 -1.432 . . . . 0.0 113.993 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.403 ' HE2' ' CZ ' ' A' ' 94' ' ' TYR . 71.8 mmtt -142.83 155.86 44.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.93 1.292 . . . . 0.0 111.499 176.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 54.6 m -141.02 147.78 39.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.199 1.0 . . . . 0.0 110.085 166.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -129.48 138.41 51.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.421 2.289 . . . . 0.0 109.322 -175.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -130.94 140.95 50.23 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.823 0.849 . . . . 0.0 112.652 -170.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.519 ' CZ ' HD13 ' B' ' 22' ' ' LEU . 63.7 m-85 -126.7 128.95 47.49 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.927 1.291 . . . . 0.0 110.962 -163.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -77.88 164.25 25.32 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -43.13 109.94 0.16 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.127 1.771 . . . . 0.0 113.056 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.73 25.58 73.62 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.189 0.9 . . . . 0.0 115.102 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -122.12 158.04 30.18 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.154 1.477 . . . . 0.0 111.454 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.3 p -134.16 3.7 3.42 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -165.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -126.3 134.76 51.05 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.217 1.407 . . . . 0.0 108.476 161.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 p -62.46 163.02 9.3 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.5 t -132.76 -16.79 2.56 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.372 1.069 . . . . 0.0 113.746 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -125.31 140.06 53.15 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 169.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.439 HG23 ' NE2' ' B' ' 13' ' ' HIS . 14.8 m -141.96 154.01 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 C-N-CA 123.981 0.912 . . . . 0.0 111.273 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.8 mt -145.46 137.77 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.133 -167.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -113.73 133.37 55.39 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 125.634 1.574 . . . . 0.0 109.771 -169.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.47 -172.06 19.34 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 114.205 0.442 . . . . 0.0 114.205 -169.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.34 134.07 22.1 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.018 2.478 . . . . 0.0 111.774 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 154.63 -12.65 0.48 Allowed Glycine 0 CA--C 1.539 1.55 0 C-N-CA 126.987 2.232 . . . . 0.0 114.787 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt 63.45 -37.3 0.17 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.554 2.741 . . . . 0.0 116.795 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.1 t -170.52 153.54 4.28 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.744 1.617 . . . . 0.0 110.115 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -74.36 -26.35 60.07 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.252 -0.905 . . . . 0.0 112.896 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -69.38 20.63 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.593 1.957 . . . . 0.0 114.813 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.308 0.1 OUTLIER 58.24 153.63 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 129.265 3.026 . . . . 0.0 116.429 -163.801 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -149.33 73.77 1.21 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.592 1.957 . . . . 0.0 110.782 -167.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.8 t80 . . . . . 0 C--O 1.255 1.366 0 C-N-CA 124.403 1.081 . . . . 0.0 111.678 179.758 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.7 t -68.59 159.58 31.68 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.507 ' H ' ' HD2' ' B' ' 9' ' ' PRO . 4.8 t -151.09 -33.64 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 171.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.507 ' HD2' ' H ' ' B' ' 8' ' ' THR . 24.7 Cg_endo -86.25 57.66 4.02 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.777 2.985 . . . . 0.0 113.884 -169.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -136.2 88.96 2.43 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 126.737 2.015 . . . . 0.0 107.006 175.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.79 177.16 38.52 Favored Glycine 0 CA--C 1.533 1.2 1 CA-C-N 108.172 -4.104 . . . . 0.0 113.086 167.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.439 ' NE2' HG23 ' A' ' 109' ' ' VAL . 26.5 p-80 -157.24 154.04 28.51 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.405 1.103 . . . . 0.0 112.535 174.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -139.78 159.31 42.46 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.153 1.381 . . . . 0.0 111.698 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.17 0.34 1.91 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 166.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -117.19 -24.15 7.6 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -173.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -96.47 -14.3 22.47 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.662 1.185 . . . . 0.0 112.743 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -37.26 144.09 0.08 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 128.707 2.803 . . . . 0.0 116.145 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 65.5 tp -92.47 125.17 37.0 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 166.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.33 112.81 22.46 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.646 1.212 . . . . 0.0 109.819 164.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.519 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 5.0 mp -73.09 -24.43 60.65 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.38 1.072 . . . . 0.0 111.039 171.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -146.62 150.2 35.0 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.331 2.252 . . . . 0.0 106.307 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.4 ' N ' ' CD ' ' B' ' 25' ' ' PRO . 8.9 t -150.22 26.75 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.311 0 N-CA-C 117.182 2.289 . . . . 0.0 117.182 -171.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 24' ' ' THR . 82.7 Cg_endo -72.4 167.41 27.05 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.232 2.621 . . . . 0.0 113.343 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 p -148.46 153.94 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.678 1.591 . . . . 0.0 111.3 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -137.91 154.96 49.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.559 1.543 . . . . 0.0 111.089 173.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -145.9 124.77 12.68 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.669 1.587 . . . . 0.0 111.211 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.456 ' N ' HD21 ' A' ' 31' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.75 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.3 t -55.65 -34.97 65.44 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -169.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.26 163.11 9.96 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.66 1.124 . . . . 0.0 113.985 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.7 mt -144.65 154.77 56.4 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 126.857 2.063 . . . . 0.0 109.621 174.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.54 137.82 28.48 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.919 1.746 . . . . 0.0 111.311 -178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.1 t -134.0 9.08 3.82 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.984 1.714 . . . . 0.0 111.746 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.8 p -130.78 140.04 50.27 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.592 1.557 . . . . 0.0 110.637 174.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.69 -38.94 67.62 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.521 1.128 . . . . 0.0 113.019 -171.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.78 -32.85 59.2 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.508 1.052 . . . . 0.0 115.515 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -77.16 -30.03 54.76 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.358 1.079 . . . . 0.0 112.365 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 tp -76.75 -44.92 31.14 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.44 1.096 . . . . 0.0 111.832 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.28 -44.49 65.01 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.067 1.347 . . . . 0.0 111.16 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.04 -38.26 67.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.489 0.715 . . . . 0.0 112.779 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -73.31 -48.61 32.99 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.219 -0.926 . . . . 0.0 111.035 173.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.3 -40.17 96.6 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.743 1.217 . . . . 0.0 113.748 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -67.6 -35.36 78.83 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.63 1.972 . . . . 0.0 111.558 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -70.72 -41.5 71.81 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 166.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CD1' HD13 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -54.08 -34.32 59.86 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.922 1.289 . . . . 0.0 113.903 178.533 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.34 -45.77 75.39 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 177.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -66.33 -48.56 69.89 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.013 0.525 . . . . 0.0 110.773 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -68.93 -20.36 64.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.121 2.168 . . . . 0.0 114.514 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.18 -13.57 6.36 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 117.066 1.586 . . . . 0.0 117.066 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.5 p -101.79 168.22 9.58 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.819 1.81 . . . . 0.0 113.357 175.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -74.77 -37.87 62.32 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.39 0.676 . . . . 0.0 111.825 169.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -149.54 97.15 2.59 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.521 1.928 . . . . 0.0 112.768 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -61.6 -23.66 66.17 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.617 1.567 . . . . 0.0 114.198 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.84 -20.05 33.35 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 -171.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -81.08 -17.58 49.56 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.265 1.426 . . . . 0.0 113.56 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 85.5 m-85 -78.48 154.29 30.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.216 1.006 . . . . 0.0 112.671 -177.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -139.55 -30.26 0.71 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.123 0.969 . . . . 0.0 113.034 -168.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -153.73 175.01 13.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 171.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -143.8 154.72 43.7 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.713 1.605 . . . . 0.0 112.342 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.7 137.28 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.416 1.486 . . . . 0.0 109.395 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.4 mt -122.18 134.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.769 1.628 . . . . 0.0 108.48 -164.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.7 mt -121.83 132.84 54.8 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.255 1.422 . . . . 0.0 110.083 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.4 p -124.19 174.54 7.61 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 122.195 0.998 . . . . 0.0 113.202 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -54.63 165.56 0.57 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 121.113 -0.992 . . . . 0.0 110.422 159.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 56.23 30.32 16.41 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 175.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 64.87 10.59 6.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.38 2.672 . . . . 0.0 116.963 172.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.05 147.48 50.77 Favored Glycine 0 CA--C 1.542 1.728 0 N-CA-C 115.562 0.985 . . . . 0.0 115.562 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -138.36 131.27 29.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.441 2.296 . . . . 0.0 109.057 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -141.35 143.98 34.3 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.488 1.115 . . . . 0.0 111.117 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 t -131.52 132.99 44.62 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.273 1.029 . . . . 0.0 112.343 -175.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.5 t -143.04 137.83 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.998 1.319 . . . . 0.0 110.614 -170.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -87.91 155.97 19.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 123.146 1.45 . . . . 0.0 112.764 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.7 mt -113.24 -1.74 14.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.065 1.746 . . . . 0.0 112.211 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -56.58 -35.07 67.79 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.636 0.774 . . . . 0.0 111.784 167.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.2 p -144.94 165.47 22.19 Favored Pre-proline 0 N--CA 1.469 0.513 0 C-N-CA 126.257 1.823 . . . . 0.0 109.253 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.77 134.99 64.09 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 122.502 2.135 . . . . 0.0 110.465 160.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -58.91 156.57 11.24 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.53 144.86 50.49 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.093 0.957 . . . . 0.0 112.699 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -59.0 -30.17 67.79 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.925 -1.109 . . . . 0.0 112.017 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.46 -22.16 66.2 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.734 1.614 . . . . 0.0 112.827 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -97.14 -29.29 13.69 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.218 1.807 . . . . 0.0 111.15 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.81 -43.45 94.5 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.636 1.107 . . . . 0.0 111.681 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -80.65 3.26 22.62 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -83.65 145.86 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 120.478 1.49 . . . . 0.0 111.623 -173.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.88 149.74 49.44 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.013 1.325 . . . . 0.0 113.842 -173.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.5 mt -105.38 116.82 32.6 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.256 1.422 . . . . 0.0 111.781 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.0 -25.23 65.1 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.268 1.827 . . . . 0.0 114.13 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -175.06 179.37 46.38 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.103 0.859 . . . . 0.0 114.421 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -65.57 156.14 33.59 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.368 1.467 . . . . 0.0 113.845 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.8 ttt -69.3 73.48 0.33 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.271 2.228 . . . . 0.0 113.778 -175.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.69 -56.43 19.3 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.886 -1.134 . . . . 0.0 112.718 174.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -151.59 161.66 42.29 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.477 1.035 . . . . 0.0 112.565 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.2 m -138.78 144.77 39.52 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.975 1.31 . . . . 0.0 109.696 171.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -125.7 138.5 53.88 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.795 2.038 . . . . 0.0 109.718 -172.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -129.54 143.35 50.79 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.852 0.861 . . . . 0.0 111.799 -171.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -128.96 127.73 42.29 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.318 1.047 . . . . 0.0 111.21 -163.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 36.3 mttt -67.85 161.24 26.73 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.175 0.512 . . . . 0.0 111.612 172.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -51.76 123.53 10.38 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.251 1.02 . . . . 0.0 112.129 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.83 -2.86 47.55 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.871 1.508 . . . . 0.0 116.871 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -85.63 165.48 16.98 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.733 1.766 . . . . 0.0 112.617 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 p -136.08 1.37 2.71 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.975 1.71 . . . . 0.0 114.773 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -127.53 132.93 49.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.798 1.239 . . . . 0.0 109.477 165.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 p -63.78 154.92 31.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -170.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 t -123.6 -16.73 6.66 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 110' ' ' ILE . 69.8 t80 -135.31 132.78 38.12 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 126.362 1.865 . . . . 0.0 107.426 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.565 HG22 ' OD1' ' B' ' 15' ' ' ASP . 4.0 m -138.94 162.42 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 123.169 1.461 . . . . 0.0 113.095 177.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.451 HD11 ' CE2' ' A' ' 108' ' ' TYR . 5.8 mt -149.05 141.72 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.9 -169.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -113.64 148.07 36.95 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.432 1.493 . . . . 0.0 110.453 -170.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.19 -172.44 18.15 Favored Glycine 0 CA--C 1.528 0.849 0 O-C-N 121.975 -0.453 . . . . 0.0 112.881 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.65 126.97 16.28 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.866 1.711 . . . . 0.0 110.428 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.88 -37.51 0.34 Allowed Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.702 1.62 . . . . 0.0 114.12 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 50.33 -15.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 130.012 3.325 . . . . 0.0 119.886 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.1 t -163.26 145.4 9.95 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.396 1.453 . . . . 0.0 110.467 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -76.92 -19.89 56.85 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.516 -0.74 . . . . 0.0 112.38 170.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -74.01 62.29 0.87 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.177 2.191 . . . . 0.0 114.906 -168.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 61.7 t80 47.01 38.71 6.64 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.898 2.079 . . . . 0.0 115.705 162.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 36.84 41.94 0.2 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.46 2.304 . . . . 0.0 117.185 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.8 t80 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 124.955 1.302 . . . . 0.0 111.58 -178.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.1 t -139.96 168.1 20.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.799 1.24 . . . . 0.0 112.044 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.84 155.36 32.23 Favored Pre-proline 0 N--CA 1.476 0.869 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -51.14 179.86 0.03 OUTLIER 'Trans proline' 0 CA--C 1.548 1.188 1 C-N-CA 126.309 4.673 . . . . 0.0 119.889 171.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.26 -37.54 87.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 127.069 2.148 . . . . 0.0 116.153 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.21 170.6 0.01 OUTLIER Glycine 0 CA--C 1.54 1.596 0 CA-C-N 108.447 -3.979 . . . . 0.0 118.429 162.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -152.29 164.82 36.64 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.155 -1.203 . . . . 0.0 112.327 170.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.565 ' OD1' HG22 ' A' ' 109' ' ' VAL . 3.4 m-20 -131.57 157.43 43.64 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 114.794 -1.093 . . . . 0.0 113.613 -160.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -135.91 -17.7 1.64 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.46 12.24 2.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.542 1.537 . . . . 0.0 113.803 -176.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -135.99 57.05 1.8 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.837 2.055 . . . . 0.0 109.481 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.5 t -119.33 157.2 28.6 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.005 1.322 . . . . 0.0 111.591 -173.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.1 tp -99.36 117.29 33.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 167.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 111.43 17.94 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.222 1.01 . . . . 0.0 109.818 160.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -68.71 -29.15 67.52 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.493 1.117 . . . . 0.0 110.256 165.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -154.82 157.71 38.33 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.968 2.907 . . . . 0.0 106.329 171.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -132.13 -4.7 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.255 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 -170.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.89 164.66 27.38 Favored 'Trans proline' 0 C--N 1.357 0.989 0 CA-C-N 123.603 2.322 . . . . 0.0 111.793 174.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.07 134.07 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.787 0.835 . . . . 0.0 111.342 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -141.49 4.25 1.75 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.49 1.516 . . . . 0.0 113.426 -175.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt 53.46 73.46 0.37 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.023 1.729 . . . . 0.0 112.533 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 120.11 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 m 31.01 48.66 0.07 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 129.293 3.037 . . . . 0.0 117.006 168.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.3 -28.66 0.98 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.288 0.946 . . . . 0.0 113.949 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.67 144.95 35.09 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 125.544 1.538 . . . . 0.0 110.532 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -50.47 138.86 38.63 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.666 2.911 . . . . 0.0 113.644 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 t -72.38 -14.43 61.71 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.0 p -96.0 140.55 30.57 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.978 1.717 . . . . 0.0 113.18 -174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.85 -36.3 72.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.026 1.33 . . . . 0.0 112.391 175.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.05 -48.85 57.68 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 123.703 0.668 . . . . 0.0 113.334 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.3 -33.06 69.37 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.527 -0.984 . . . . 0.0 113.138 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.45 -41.67 98.91 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.986 0.812 . . . . 0.0 111.757 171.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.44 -35.25 77.06 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.169 0.895 . . . . 0.0 113.142 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.03 -43.21 93.16 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.526 0.73 . . . . 0.0 111.213 172.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -62.8 -49.69 73.94 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.473 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.32 -32.78 74.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 120.162 1.347 . . . . 0.0 113.135 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -64.06 -37.39 87.27 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.239 0.927 . . . . 0.0 111.718 167.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -67.66 -47.51 69.31 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.471 -0.775 . . . . 0.0 112.201 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CE1' HG23 ' B' ' 8' ' ' THR . 17.0 m-85 -53.08 -44.23 67.37 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.727 1.211 . . . . 0.0 111.169 171.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.62 -56.79 10.3 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.23 -42.78 88.19 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.359 0.527 . . . . 0.0 111.509 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -74.96 -13.81 60.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.213 1.005 . . . . 0.0 113.464 176.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.53 -28.31 4.35 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -170.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.3 p -115.52 172.69 6.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 119.487 1.643 . . . . 0.0 113.317 -167.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.69 -46.06 80.47 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.05 -38.87 1.22 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 -174.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t 59.61 -34.51 0.06 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.253 2.221 . . . . 0.0 115.868 -163.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.18 -10.75 24.97 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -93.96 -10.26 34.31 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -71.32 144.17 50.04 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.188 0.904 . . . . 0.0 112.116 172.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -122.74 -37.83 2.71 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.906 1.682 . . . . 0.0 111.025 -171.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -143.05 169.68 17.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.71 0.767 . . . . 0.0 112.52 165.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -141.2 162.32 35.77 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.198 1.799 . . . . 0.0 111.262 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.66 HG11 HD23 ' B' ' 20' ' ' LEU . 8.9 p -138.05 141.55 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.011 1.324 . . . . 0.0 110.197 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.73 121.56 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.826 1.65 . . . . 0.0 108.289 -165.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp -118.13 111.21 18.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.005 1.722 . . . . 0.0 109.708 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.9 p -108.79 174.28 5.94 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.457 1.103 . . . . 0.0 112.367 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.71 164.13 0.15 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.396 -0.815 . . . . 0.0 110.996 160.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 62.1 31.89 17.66 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.587 1.155 . . . . 0.0 113.992 168.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 62.96 21.89 13.14 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.026 2.131 . . . . 0.0 113.55 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.7 124.57 24.33 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 168.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -142.05 123.15 14.61 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.246 1.818 . . . . 0.0 106.97 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -139.88 140.53 36.5 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.316 1.047 . . . . 0.0 110.231 -172.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -117.53 143.29 46.23 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.792 0.837 . . . . 0.0 111.593 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.0 t -143.02 127.21 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.512 1.925 . . . . 0.0 109.731 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -93.72 123.68 37.21 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.505 0.722 . . . . 0.0 109.455 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.8 mt -82.09 -10.28 59.25 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.199 1.4 . . . . 0.0 113.701 -171.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -63.65 -13.74 45.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.29 1.436 . . . . 0.0 114.236 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.8 p -147.1 155.95 46.96 Favored Pre-proline 0 C--O 1.238 0.46 0 C-N-CA 125.801 1.641 . . . . 0.0 110.513 -167.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -64.1 154.83 68.35 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.884 3.056 . . . . 0.0 112.056 169.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -62.6 162.37 10.64 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.945 1.298 . . . . 0.0 114.44 172.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.56 162.41 13.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.736 1.215 . . . . 0.0 111.7 161.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -58.66 -22.61 57.37 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.294 1.038 . . . . 0.0 113.741 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.46 -43.57 93.17 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.07 -1.019 . . . . 0.0 111.003 178.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -66.57 -34.49 78.02 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.143 0.977 . . . . 0.0 111.864 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -63.59 -11.37 24.33 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.148 0.979 . . . . 0.0 113.485 173.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -128.79 0.7 5.41 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.94 1.696 . . . . 0.0 114.132 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -91.04 120.44 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 120.759 1.618 . . . . 0.0 110.676 -175.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -77.12 101.47 6.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.746 1.618 . . . . 0.0 112.198 -172.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.5 mt -47.36 120.4 3.19 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.886 1.675 . . . . 0.0 112.281 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.75 -29.99 63.12 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.683 1.193 . . . . 0.0 114.029 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -151.12 -179.45 26.86 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.538 1.066 . . . . 0.0 114.944 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.44 152.46 45.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.594 1.158 . . . . 0.0 111.983 167.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.3 ttp -74.79 70.19 1.88 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.307 1.843 . . . . 0.0 113.872 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -59.0 -47.11 86.39 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -147.87 164.36 33.94 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.8 m -146.38 145.36 30.25 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.157 1.383 . . . . 0.0 109.612 171.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -134.34 147.23 50.51 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.111 0.965 . . . . 0.0 111.291 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -137.13 144.16 42.87 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.383 1.073 . . . . 0.0 112.354 -166.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.436 ' CZ ' HD13 ' B' ' 22' ' ' LEU . 50.4 m-85 -133.57 120.94 21.38 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.054 1.341 . . . . 0.0 109.465 -164.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -69.4 165.9 19.82 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.732 -0.605 . . . . 0.0 111.664 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -43.28 101.92 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.488 1.515 . . . . 0.0 112.997 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.89 -11.23 68.05 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.939 1.536 . . . . 0.0 116.939 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -63.37 165.09 8.09 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.402 2.101 . . . . 0.0 112.865 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -136.52 7.71 3.06 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.621 1.568 . . . . 0.0 113.054 168.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -135.63 136.26 40.85 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.89 -1.131 . . . . 0.0 109.462 163.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.46 126.99 31.2 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -165.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.1 t -81.41 -26.92 35.02 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.12 1.368 . . . . 0.0 113.662 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -131.21 137.53 48.97 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.705 1.202 . . . . 0.0 109.658 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.457 HG23 ' NE2' ' B' ' 13' ' ' HIS . 12.0 m -141.32 163.51 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 122.536 1.16 . . . . 0.0 112.661 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 mt -144.33 144.93 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 125.268 1.427 . . . . 0.0 107.678 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -121.86 161.91 21.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.749 1.22 . . . . 0.0 111.99 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.94 -166.52 28.14 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 115.224 -0.898 . . . . 0.0 113.82 -173.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -72.44 133.13 20.22 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.019 2.479 . . . . 0.0 111.245 -173.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.21 -23.77 0.88 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 126.514 2.007 . . . . 0.0 113.957 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 76.8 tttt 59.93 -23.77 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 128.292 2.637 . . . . 0.0 117.234 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -161.78 158.24 25.41 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.815 1.646 . . . . 0.0 110.248 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -86.65 -2.29 58.39 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 167.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -115.78 99.34 7.23 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.427 -1.421 . . . . 0.0 112.403 -163.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 47.86 27.79 1.21 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 171.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 47.46 36.04 4.72 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.95 2.5 . . . . 0.0 116.152 -171.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 33.4 t80 . . . . . 0 C--O 1.253 1.243 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -176.491 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -151.27 32.52 0.58 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.743 1.617 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.471 ' H ' ' HD2' ' B' ' 9' ' ' PRO . 0.9 OUTLIER -163.93 -44.37 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.881 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -177.649 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.471 ' HD2' ' H ' ' B' ' 8' ' ' THR . 55.3 Cg_endo -73.97 81.01 2.01 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 CA-C-N 123.505 2.287 . . . . 0.0 116.046 -167.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -136.75 99.31 4.01 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 128.208 2.603 . . . . 0.0 105.521 160.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.37 179.75 6.78 Favored Glycine 0 N--CA 1.435 -1.38 1 CA-C-N 104.324 -5.853 . . . . 0.0 114.502 160.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.457 ' NE2' HG23 ' A' ' 109' ' ' VAL . 36.7 p-80 -160.2 147.7 16.34 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 123.022 1.392 . . . . 0.0 114.359 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -124.78 157.49 35.65 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.696 1.599 . . . . 0.0 112.496 -161.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -138.43 12.61 2.77 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -140.78 -25.53 0.75 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 125.873 1.669 . . . . 0.0 114.631 -171.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -127.98 22.57 6.21 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.839 2.456 . . . . 0.0 111.685 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -55.47 162.61 1.51 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.471 1.908 . . . . 0.0 112.741 161.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.66 HD23 HG11 ' A' ' 63' ' ' VAL . 25.0 tp -108.69 128.15 54.61 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 125.999 1.72 . . . . 0.0 107.224 164.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.38 140.63 29.84 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.059 0.944 . . . . 0.0 111.125 169.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.436 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 2.0 mp -120.99 13.08 11.3 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 128.222 2.609 . . . . 0.0 113.313 -174.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -61.69 -20.15 63.15 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 -171.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.477 ' H ' ' HD2' ' B' ' 25' ' ' PRO . 12.5 t -134.0 -26.96 0.02 OUTLIER Pre-proline 0 N--CA 1.487 1.392 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 -174.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.477 ' HD2' ' H ' ' B' ' 24' ' ' THR . 41.5 Cg_endo -86.17 170.65 8.18 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.823 2.349 . . . . 0.0 112.199 171.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 8.7 p -131.18 -27.62 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 38.76 15.75 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 130.672 3.589 . . . . 0.0 117.689 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -157.78 111.05 2.47 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.783 1.633 . . . . 0.0 111.471 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 O-C-N 120.995 -1.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 117.611 -1.185 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.1 p -149.12 -7.05 0.36 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 -165.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.56 -10.42 0.33 Allowed Glycine 0 CA--C 1.539 1.576 0 CA-C-N 120.494 1.497 . . . . 0.0 116.761 -175.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.7 mt -145.99 164.66 24.07 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 127.709 2.403 . . . . 0.0 109.831 175.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -58.27 162.21 12.38 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.25 2.633 . . . . 0.0 113.461 173.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.7 t -116.86 -14.7 10.7 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -171.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.6 p -83.75 131.61 34.9 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.751 -1.218 . . . . 0.0 111.109 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -38.76 63.31 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.76 61.14 Favored Glycine 0 CA--C 1.538 1.524 0 CA-C-N 119.368 0.985 . . . . 0.0 114.984 172.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.91 -41.21 71.55 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.337 1.069 . . . . 0.0 112.267 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.5 tp -63.07 -42.22 99.62 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.615 0.643 . . . . 0.0 111.939 174.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.47 -39.38 83.48 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.74 1.154 . . . . 0.0 112.753 174.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.12 -46.91 86.94 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.363 0.528 . . . . 0.0 110.676 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -61.86 -41.57 98.01 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 123.829 0.852 . . . . 0.0 112.881 174.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.86 -35.23 76.66 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.252 1.387 . . . . 0.0 112.832 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -69.8 -31.31 69.14 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.642 -0.662 . . . . 0.0 111.254 170.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.64 -47.75 77.38 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.503 166.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CD1' HG21 ' A' ' 110' ' ' ILE . 5.1 m-85 -55.07 -32.81 62.23 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.77 1.228 . . . . 0.0 113.281 176.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.75 -51.02 62.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.53 1.059 . . . . 0.0 113.521 171.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -67.77 -41.15 83.72 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.232 0.924 . . . . 0.0 112.185 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -64.1 -28.62 69.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.935 2.094 . . . . 0.0 113.65 174.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.92 -9.12 5.36 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 117.182 1.633 . . . . 0.0 117.182 -160.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.2 p -120.53 158.09 28.04 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.251 1.525 . . . . 0.0 112.178 175.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.42 -34.87 76.77 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.152 0.581 . . . . 0.0 111.354 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -147.58 113.93 5.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.016 1.327 . . . . 0.0 112.723 173.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.7 p -76.59 -17.21 59.32 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.12 6.61 3.33 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -171.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -107.1 -11.32 15.66 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.005 1.722 . . . . 0.0 113.782 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 90.9 m-85 -87.41 144.08 26.93 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.863 0.865 . . . . 0.0 111.753 -173.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -124.44 -28.71 3.59 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.161 0.984 . . . . 0.0 111.916 -170.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -152.19 171.22 18.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 122.157 0.98 . . . . 0.0 113.138 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -145.41 159.84 42.47 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 126.275 1.83 . . . . 0.0 111.515 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.635 HG11 HD23 ' B' ' 20' ' ' LEU . 10.4 p -146.88 137.77 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 125.3 1.44 . . . . 0.0 109.397 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.4 mt -126.19 129.46 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.735 1.614 . . . . 0.0 109.565 -160.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 mt -121.48 130.67 53.7 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.014 1.326 . . . . 0.0 110.836 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.5 p -121.5 174.92 6.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.694 1.198 . . . . 0.0 112.405 -172.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -54.27 167.42 0.31 Allowed 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.73 -0.607 . . . . 0.0 109.668 160.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 58.48 26.42 14.23 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.146 0.978 . . . . 0.0 112.455 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt 42.98 35.76 0.8 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 129.641 3.176 . . . . 0.0 115.947 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.83 143.26 48.59 Favored Glycine 0 CA--C 1.534 1.229 0 N-CA-C 112.313 -0.315 . . . . 0.0 112.313 169.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -141.63 130.81 23.41 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.113 2.165 . . . . 0.0 108.178 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -147.84 130.06 15.57 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.313 1.045 . . . . 0.0 110.827 -176.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 m -108.53 141.36 40.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.22 1.008 . . . . 0.0 110.47 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.3 t -142.94 124.02 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.89 1.276 . . . . 0.0 109.238 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -74.92 147.97 40.49 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.926 0.869 . . . . 0.0 112.06 171.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.07 -10.81 15.8 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.728 2.011 . . . . 0.0 113.083 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.3 -15.21 23.16 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.118 0.872 . . . . 0.0 113.003 165.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.9 p -147.19 159.66 41.8 Favored Pre-proline 0 C--O 1.239 0.548 0 C-N-CA 127.361 2.265 . . . . 0.0 109.832 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.87 156.94 40.74 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 123.36 2.706 . . . . 0.0 112.321 162.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -66.99 149.4 50.69 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.739 0.78 . . . . 0.0 112.92 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.23 150.94 33.0 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.361 1.064 . . . . 0.0 113.21 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -59.56 -22.93 62.43 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.076 -1.015 . . . . 0.0 113.358 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -61.13 -20.42 62.66 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.225 1.81 . . . . 0.0 113.405 171.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -118.2 -12.62 9.96 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.134 1.774 . . . . 0.0 113.773 -173.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -63.74 -22.67 67.02 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.667 -1.271 . . . . 0.0 114.093 -171.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -135.37 2.97 3.05 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.779 1.232 . . . . 0.0 113.352 -171.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.76 137.85 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.587 1.155 . . . . 0.0 111.442 -176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.64 126.99 33.41 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.83 0.824 . . . . 0.0 112.877 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.52 138.64 58.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.174 2.19 . . . . 0.0 112.853 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 mt -63.64 -21.95 66.64 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -172.51 -175.54 40.59 Favored Glycine 0 CA--C 1.527 0.817 0 CA-C-N 119.559 1.072 . . . . 0.0 113.784 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -58.5 141.14 52.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.407 1.483 . . . . 0.0 110.555 172.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 58.5 ttp -63.52 130.82 45.98 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.346 -0.846 . . . . 0.0 110.616 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -111.88 -38.48 4.81 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.338 0.517 . . . . 0.0 112.07 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -158.44 153.53 25.39 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.0 m -134.95 147.15 49.7 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.156 1.382 . . . . 0.0 109.102 171.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -127.96 137.59 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.812 1.645 . . . . 0.0 109.772 -174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -131.46 142.92 50.09 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.888 1.275 . . . . 0.0 111.918 -170.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -131.75 124.19 29.21 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 125.441 1.496 . . . . 0.0 108.503 -163.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -64.95 167.17 8.11 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.333 0.515 . . . . 0.0 111.282 170.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -36.93 112.08 0.18 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.653 1.581 . . . . 0.0 113.315 168.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.83 -1.12 85.07 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.562 1.553 . . . . 0.0 116.547 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -73.56 148.15 43.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.025 1.913 . . . . 0.0 113.38 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.467 ' HB2' ' HA ' ' B' ' 23' ' ' ASN . 72.4 p -126.2 3.62 7.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.26 1.424 . . . . 0.0 113.652 175.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -137.86 123.51 19.8 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.406 1.483 . . . . 0.0 107.745 165.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.3 p -54.71 158.75 2.47 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -169.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t -124.59 -17.52 5.95 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.327 1.451 . . . . 0.0 114.117 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -133.3 141.69 48.09 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.39 1.476 . . . . 0.0 107.745 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.421 HG23 ' NE2' ' B' ' 13' ' ' HIS . 3.1 m -146.24 153.39 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 124.989 1.316 . . . . 0.0 111.535 -171.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.42 HG21 ' CD1' ' A' ' 48' ' ' TYR . 4.7 mt -145.6 126.55 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -175.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -93.07 162.88 13.86 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.943 0.497 . . . . 0.0 110.3 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.16 167.25 28.97 Favored Glycine 0 CA--C 1.535 1.335 0 O-C-N 121.76 -0.588 . . . . 0.0 114.453 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.54 36.57 0.62 Allowed 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 124.538 3.492 . . . . 0.0 113.937 -166.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.95 -14.81 57.33 Favored Glycine 0 CA--C 1.533 1.217 0 O-C-N 121.07 -1.019 . . . . 0.0 113.583 173.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 53.71 -5.94 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 128.534 2.733 . . . . 0.0 117.743 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -175.1 160.47 2.74 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.851 2.46 . . . . 0.0 108.896 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -82.2 -19.93 38.81 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 121.228 -0.92 . . . . 0.0 112.057 163.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.43 78.9 2.48 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.211 1.804 . . . . 0.0 114.397 -170.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 47.63 33.63 3.14 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 117.624 2.453 . . . . 0.0 117.624 162.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 46.41 46.29 13.84 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.211 1.805 . . . . 0.0 114.884 -176.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 37.3 t80 . . . . . 0 C--O 1.253 1.278 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 169.94 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -137.78 19.28 2.86 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.431 1.492 . . . . 0.0 113.543 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 59.7 m -124.39 134.4 25.49 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.706 1.202 . . . . 0.0 110.634 -175.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.96 177.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 124.628 3.552 . . . . 0.0 115.392 167.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.87 127.16 29.97 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.347 -0.845 . . . . 0.0 109.583 161.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.99 178.39 2.29 Favored Glycine 0 CA--C 1.532 1.136 1 CA-C-N 108.325 -4.034 . . . . 0.0 115.867 173.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.421 ' NE2' HG23 ' A' ' 109' ' ' VAL . 40.5 p-80 -161.12 150.68 16.92 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.228 -1.16 . . . . 0.0 111.016 165.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -160.43 165.73 30.54 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 113.765 -1.562 . . . . 0.0 109.686 -176.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -142.28 2.14 1.45 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.386 1.875 . . . . 0.0 112.557 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -90.57 -18.36 25.36 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -120.21 -0.07 10.55 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.039 1.335 . . . . 0.0 113.213 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -49.36 149.28 2.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.871 2.068 . . . . 0.0 114.57 -168.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.635 HD23 HG11 ' A' ' 63' ' ' VAL . 31.7 tp -92.28 117.22 29.68 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 167.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.5 85.98 4.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.642 2.377 . . . . 0.0 111.419 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.4 -49.07 78.36 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.709 1.604 . . . . 0.0 111.261 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 104' ' ' SER . 96.6 m-20 45.31 -10.38 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 130.848 3.659 . . . . 0.0 120.845 175.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 9.9 t -57.25 -28.64 4.87 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 118.56 2.8 . . . . 0.0 118.56 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.61 163.03 31.69 Favored 'Trans proline' 0 C--N 1.355 0.876 0 CA-C-N 123.489 2.282 . . . . 0.0 112.059 170.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.503 HG22 ' H ' ' B' ' 28' ' ' LYS . 12.2 p -156.38 145.1 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.883 0.873 . . . . 0.0 110.952 -170.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -80.21 -4.08 51.66 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.503 ' H ' HG22 ' B' ' 26' ' ' VAL . 36.7 ttmt -121.65 94.13 4.22 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.993 2.517 . . . . 0.0 109.827 176.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 120.319 -1.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 m -143.63 2.0 1.21 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.397 1.479 . . . . 0.0 113.633 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.76 177.91 39.96 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.862 1.22 . . . . 0.0 112.561 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -140.17 145.07 40.15 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 124.083 0.953 . . . . 0.0 111.637 -175.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -69.47 141.56 46.76 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.358 2.705 . . . . 0.0 113.236 -175.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.8 t -136.58 19.1 3.1 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.176 1.79 . . . . 0.0 112.129 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.3 p -95.83 144.89 25.8 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.112 -0.993 . . . . 0.0 112.539 170.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.55 -41.5 66.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.581 1.552 . . . . 0.0 112.835 -176.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.23 -39.12 94.16 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.964 0.792 . . . . 0.0 114.432 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -77.19 -36.69 54.74 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.724 -0.868 . . . . 0.0 111.551 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.32 -44.46 92.57 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 118.562 -0.732 . . . . 0.0 112.64 166.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -55.48 -42.65 74.66 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.111 1.364 . . . . 0.0 112.677 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.51 -36.73 85.16 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.057 -0.402 . . . . 0.0 111.169 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -69.48 -42.5 74.75 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.839 0.856 . . . . 0.0 111.966 172.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.47 -39.13 88.63 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.338 1.427 . . . . 0.0 113.521 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.9 mtt-85 -63.8 -31.17 72.27 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.443 0.565 . . . . 0.0 111.11 170.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.01 -41.93 70.25 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.709 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -58.68 -31.74 68.49 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 120.915 1.688 . . . . 0.0 113.019 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.85 -51.08 61.88 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.124 -0.985 . . . . 0.0 113.249 171.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.25 -44.98 86.42 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.641 0.655 . . . . 0.0 112.094 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -61.11 -27.05 68.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.842 1.657 . . . . 0.0 113.816 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.65 -3.89 8.32 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 116.66 1.424 . . . . 0.0 116.66 -161.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.8 p -132.62 156.93 46.02 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 120.395 2.098 . . . . 0.0 111.339 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -63.84 -31.28 72.4 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 117.469 -1.253 . . . . 0.0 113.501 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.85 -21.46 3.04 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 118.474 2.768 . . . . 0.0 118.474 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.6 p 41.59 32.34 0.24 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.15 -21.09 0.63 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -168.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -69.84 -18.39 63.44 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.536 1.934 . . . . 0.0 112.892 171.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.0 m-85 -77.97 151.35 33.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.767 2.027 . . . . 0.0 112.23 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -123.52 -28.58 3.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.033 0.933 . . . . 0.0 113.341 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -155.53 169.24 24.75 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.345 1.458 . . . . 0.0 111.977 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -145.99 156.51 43.54 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.225 1.81 . . . . 0.0 110.855 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.631 HG11 HD23 ' B' ' 20' ' ' LEU . 11.5 p -143.59 142.11 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.401 1.08 . . . . 0.0 110.055 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.0 mt -127.42 124.92 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 125.37 1.468 . . . . 0.0 107.505 -163.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.6 mt -118.55 129.13 55.17 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.506 0.722 . . . . 0.0 109.685 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.5 p -119.14 171.36 8.33 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.952 -169.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.97 159.83 1.09 Allowed 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.694 -0.629 . . . . 0.0 109.672 160.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 65.82 33.61 7.96 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.344 1.058 . . . . 0.0 113.554 170.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 61.51 38.06 16.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.889 2.076 . . . . 0.0 113.935 170.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.93 141.07 18.32 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 123.714 0.673 . . . . 0.0 113.6 171.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -139.59 128.48 23.47 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 128.452 2.701 . . . . 0.0 106.848 170.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.54 134.87 31.23 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.897 0.879 . . . . 0.0 110.304 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.0 t -122.25 139.54 53.66 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.498 1.119 . . . . 0.0 111.495 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.6 t -144.22 131.92 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.364 1.466 . . . . 0.0 110.296 -173.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -81.23 138.59 35.78 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 122.032 0.92 . . . . 0.0 111.921 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.5 mt -90.12 -14.0 34.58 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.975 1.71 . . . . 0.0 111.902 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -55.75 -28.45 55.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.974 1.31 . . . . 0.0 112.857 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.1 p -148.86 169.34 9.31 Favored Pre-proline 0 CA--C 1.54 0.592 0 C-N-CA 127.492 2.317 . . . . 0.0 109.77 -171.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -70.26 151.41 66.22 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 123.016 2.477 . . . . 0.0 111.301 164.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -76.53 155.24 33.88 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.783 0.801 . . . . 0.0 112.929 173.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.17 143.7 57.56 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.455 1.102 . . . . 0.0 112.409 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -57.05 -35.03 68.85 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 120.468 -1.395 . . . . 0.0 114.128 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -71.49 -13.96 61.97 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.918 -1.114 . . . . 0.0 112.885 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -96.19 -33.47 12.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.049 1.74 . . . . 0.0 111.548 168.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -56.38 -41.21 75.87 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 120.148 1.34 . . . . 0.0 111.665 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -83.71 -3.51 57.85 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 p -79.39 139.89 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.683 1.583 . . . . 0.0 110.527 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -81.22 137.91 35.83 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.188 0.994 . . . . 0.0 112.41 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.7 132.01 44.75 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.396 1.878 . . . . 0.0 110.691 174.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.8 -30.65 65.86 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -162.86 -172.25 30.1 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.79 1.186 . . . . 0.0 113.032 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -65.42 151.33 46.58 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.183 1.393 . . . . 0.0 113.071 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 36.6 ttp -70.07 69.45 0.34 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.109 2.163 . . . . 0.0 113.802 -174.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.26 -48.57 45.72 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.243 1.017 . . . . 0.0 112.387 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.52 ' HE2' ' CE2' ' A' ' 97' ' ' TYR . 63.4 tttt -163.88 156.11 17.28 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -139.39 149.94 44.71 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.853 1.661 . . . . 0.0 109.708 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.52 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 4.4 m-85 -133.69 150.24 51.53 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.616 1.566 . . . . 0.0 111.784 -174.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -141.49 145.47 35.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.597 1.159 . . . . 0.0 112.683 -168.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.43 ' HE1' HG12 ' A' ' 63' ' ' VAL . 31.0 m-85 -135.88 128.83 31.34 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.256 1.422 . . . . 0.0 110.005 -163.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -69.44 162.22 27.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.688 0.795 . . . . 0.0 111.253 171.723 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -44.51 109.43 0.16 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.521 1.528 . . . . 0.0 112.113 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.71 -6.39 70.33 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.016 1.293 . . . . 0.0 116.303 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -76.12 154.46 35.48 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.189 1.995 . . . . 0.0 113.465 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 m -135.47 12.65 3.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.976 2.51 . . . . 0.0 112.481 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -142.25 130.94 22.71 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.939 2.096 . . . . 0.0 107.865 163.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -61.7 163.38 7.33 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -169.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.3 t -127.68 -15.14 5.03 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.503 1.521 . . . . 0.0 113.093 173.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -139.13 134.78 33.31 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.843 1.657 . . . . 0.0 108.346 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.478 HG23 ' NE2' ' B' ' 13' ' ' HIS . 16.1 m -142.96 160.84 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.829 1.251 . . . . 0.0 111.98 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.3 mt -146.0 130.93 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -172.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -96.51 167.08 11.37 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.458 0.703 . . . . 0.0 110.761 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.03 -166.25 21.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 121.871 -0.518 . . . . 0.0 113.311 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -68.81 124.38 11.41 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.146 2.564 . . . . 0.0 110.461 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 148.82 126.39 1.52 Allowed Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.763 2.125 . . . . 0.0 108.929 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -99.3 -21.82 15.88 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -165.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -167.11 150.22 6.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.481 1.513 . . . . 0.0 108.576 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -71.74 -23.19 61.57 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.595 -0.691 . . . . 0.0 112.262 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.27 20.9 0.11 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -168.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 8.2 t80 84.21 120.33 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.163 2.585 . . . . 0.0 112.307 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -151.19 20.5 0.76 Allowed 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -175.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 65.5 t80 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.204 1.402 . . . . 0.0 111.925 173.836 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.019 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.0 t -145.89 7.51 1.08 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.494 1.518 . . . . 0.0 113.798 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -156.42 166.58 16.19 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 126.122 1.769 . . . . 0.0 110.3 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -48.36 164.49 0.2 Allowed 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 124.882 3.721 . . . . 0.0 115.999 167.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -75.34 98.65 3.89 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 122.172 0.987 . . . . 0.0 112.336 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.16 174.63 1.37 Allowed Glycine 0 CA--C 1.539 1.55 1 CA-C-N 106.014 -5.085 . . . . 0.0 115.64 160.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.478 ' NE2' HG23 ' A' ' 109' ' ' VAL . 33.4 p-80 -158.38 150.68 21.87 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.836 1.303 . . . . 0.0 112.942 169.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.18 161.2 13.99 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 119.885 -1.759 . . . . 0.0 113.649 -165.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -136.59 -11.28 1.84 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.555 1.142 . . . . 0.0 114.002 167.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.61 -8.69 0.56 Allowed 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 172.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -87.91 4.59 44.21 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.905 0.775 . . . . 0.0 112.715 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -54.04 163.18 0.81 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.012 2.125 . . . . 0.0 115.718 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.631 HD23 HG11 ' A' ' 63' ' ' VAL . 52.3 tp -110.1 126.93 54.55 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.802 1.641 . . . . 0.0 106.788 160.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -82.45 121.59 26.94 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 125.386 1.474 . . . . 0.0 110.311 166.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -93.43 -44.43 8.26 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.62 1.568 . . . . 0.0 110.505 170.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 15.1 m120 56.47 156.86 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.595 3.158 . . . . 0.0 116.557 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 6.2 t -154.94 22.73 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.413 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -172.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.52 132.04 29.81 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.537 2.825 . . . . 0.0 112.987 -163.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -160.17 142.61 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.241 1.417 . . . . 0.0 110.274 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -105.31 -4.28 21.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.253 1.421 . . . . 0.0 113.239 -176.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -139.69 55.25 1.66 Allowed 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 124.043 1.878 . . . . 0.0 110.254 166.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 119.064 -2.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.746 0.307 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.7 t -150.72 -19.54 0.22 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.785 1.634 . . . . 0.0 113.577 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.39 -165.66 24.93 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.974 1.273 . . . . 0.0 112.976 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.52 119.72 67.77 Favored Pre-proline 0 CA--C 1.548 0.887 0 O-C-N 121.045 -1.267 . . . . 0.0 111.832 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -83.36 163.97 14.81 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 123.208 2.605 . . . . 0.0 111.265 171.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -146.43 5.88 0.95 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 171.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.2 p -131.45 140.48 49.6 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.889 1.275 . . . . 0.0 110.574 173.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -39.62 79.88 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -168.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.32 -47.18 92.09 Favored Glycine 0 N--CA 1.476 1.307 0 CA-C-N 119.965 1.257 . . . . 0.0 114.923 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -62.23 -40.11 95.06 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 117.89 0.845 . . . . 0.0 111.483 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.48 -48.85 73.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.694 0.798 . . . . 0.0 112.337 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.1 -42.03 80.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.629 1.572 . . . . 0.0 112.651 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.67 -32.85 74.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.855 0.462 . . . . 0.0 112.143 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -69.56 -50.74 41.84 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.282 0.633 . . . . 0.0 110.755 169.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.01 -38.44 86.09 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.5 1.52 . . . . 0.0 113.748 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -61.63 -36.82 81.87 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.537 0.608 . . . . 0.0 111.075 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -70.97 -33.29 70.3 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.102 -0.951 . . . . 0.0 113.399 172.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -56.21 -40.07 73.46 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.249 1.386 . . . . 0.0 112.908 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.81 -42.11 98.6 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.133 0.879 . . . . 0.0 112.474 176.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -67.67 -41.09 84.3 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.481 1.037 . . . . 0.0 112.179 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -69.49 -15.65 63.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.54 1.936 . . . . 0.0 114.456 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.01 -38.9 0.44 Allowed Glycine 0 CA--C 1.536 1.398 0 N-CA-C 115.897 1.119 . . . . 0.0 115.897 -164.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.8 p -99.89 167.73 10.33 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.822 1.311 . . . . 0.0 113.067 -172.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -74.78 -31.24 61.7 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.216 1.007 . . . . 0.0 112.711 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -154.41 115.88 4.12 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.313 2.245 . . . . 0.0 111.807 172.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.0 p -74.65 -17.64 60.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.57 -13.11 59.75 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -168.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -75.13 -17.22 60.46 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.213 1.005 . . . . 0.0 113.16 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 97.2 m-85 -79.5 152.03 30.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.706 1.202 . . . . 0.0 112.199 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -134.38 -38.74 0.84 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.472 1.109 . . . . 0.0 112.404 -168.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -144.7 172.46 12.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 166.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -143.6 155.84 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.971 1.708 . . . . 0.0 110.963 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.633 HG11 HD23 ' B' ' 20' ' ' LEU . 12.6 p -140.09 136.85 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.145 1.378 . . . . 0.0 109.957 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.6 mt -119.38 123.12 70.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 125.567 1.547 . . . . 0.0 107.604 -164.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.38 114.81 27.14 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.998 0.919 . . . . 0.0 109.595 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.9 p -101.8 168.54 9.38 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.46 0.648 . . . . 0.0 111.163 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -56.24 165.05 1.12 Allowed 'General case' 0 CA--C 1.551 1.008 0 O-C-N 121.332 -0.855 . . . . 0.0 110.15 160.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 62.33 32.72 16.86 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.382 1.073 . . . . 0.0 113.107 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt 53.7 23.92 3.98 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 128.206 2.602 . . . . 0.0 116.142 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.12 138.69 48.61 Favored Glycine 0 CA--C 1.534 1.274 0 O-C-N 121.453 -0.779 . . . . 0.0 112.302 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -145.27 120.74 10.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.338 2.255 . . . . 0.0 107.128 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -139.24 142.36 37.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.881 1.272 . . . . 0.0 109.093 -176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 t -134.92 138.14 43.8 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.884 1.22 . . . . 0.0 112.064 -175.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.3 t -143.01 121.19 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.703 1.201 . . . . 0.0 110.549 -168.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -68.92 127.29 32.57 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.669 0.747 . . . . 0.0 111.003 167.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.5 mt -78.43 -23.51 46.61 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.191 1.796 . . . . 0.0 112.089 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -56.08 -19.81 14.62 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.696 1.598 . . . . 0.0 114.108 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.9 p -137.76 157.59 73.17 Favored Pre-proline 0 C--O 1.24 0.57 0 C-N-CA 125.766 1.626 . . . . 0.0 109.965 -175.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.86 145.2 73.79 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.505 2.136 . . . . 0.0 110.649 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.08 132.31 47.02 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.334 1.053 . . . . 0.0 111.335 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.82 143.06 56.9 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -62.31 -26.3 68.35 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 -167.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.55 -39.0 65.05 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.011 -1.056 . . . . 0.0 112.111 170.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -69.45 -29.64 67.38 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.204 1.402 . . . . 0.0 111.337 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -56.71 -22.87 38.29 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.761 0.824 . . . . 0.0 113.029 169.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -124.17 22.34 8.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.359 1.464 . . . . 0.0 112.461 -166.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 p -96.67 136.1 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.589 0.756 . . . . 0.0 110.863 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -67.39 146.74 53.74 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.767 1.227 . . . . 0.0 112.847 176.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.88 146.02 26.35 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.151 1.38 . . . . 0.0 111.499 174.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.77 -23.32 52.95 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.309 1.444 . . . . 0.0 114.811 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.26 -177.02 37.37 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.412 1.006 . . . . 0.0 111.921 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -60.94 147.0 44.8 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.043 1.337 . . . . 0.0 112.727 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.01 62.72 0.05 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.803 2.441 . . . . 0.0 113.717 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.433 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 9.0 t80 -56.27 -46.99 79.45 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.003 -1.06 . . . . 0.0 112.15 -175.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.433 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 29.1 pttt -160.28 166.77 28.9 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 166.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.7 m -134.08 148.02 50.96 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.754 2.022 . . . . 0.0 109.633 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -123.63 151.5 42.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.7 1.6 . . . . 0.0 111.57 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -138.6 146.65 42.03 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 125.341 1.456 . . . . 0.0 111.345 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.422 ' HE1' HG12 ' A' ' 63' ' ' VAL . 30.5 m-85 -133.68 131.93 40.07 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 125.125 1.37 . . . . 0.0 109.58 -167.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -72.08 166.27 22.61 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 172.263 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -47.01 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.517 1.927 . . . . 0.0 111.886 173.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.21 -3.79 47.88 Favored Glycine 0 CA--C 1.542 1.759 0 C-N-CA 125.779 1.657 . . . . 0.0 117.157 177.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -72.78 163.58 27.89 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.917 1.859 . . . . 0.0 113.982 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.0 p -144.26 11.57 1.53 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.26 1.824 . . . . 0.0 114.338 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -143.32 134.68 26.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.621 1.968 . . . . 0.0 106.968 160.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -59.59 163.98 3.86 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -166.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.8 t -126.76 -16.86 5.11 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 169.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -131.95 143.58 50.21 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.299 1.04 . . . . 0.0 109.962 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.44 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -151.03 152.38 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.723 0 C-N-CA 125.147 1.379 . . . . 0.0 111.461 -176.699 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.9 mt -143.02 136.22 25.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -166.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -103.38 161.05 14.17 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.075 1.35 . . . . 0.0 111.013 -174.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -161.94 -161.15 11.59 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.727 -0.485 . . . . 0.0 113.65 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -61.82 135.34 55.37 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.511 2.141 . . . . 0.0 109.808 172.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.74 161.49 11.16 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 127.863 2.649 . . . . 0.0 110.209 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -139.3 -9.26 1.28 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -173.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t -166.04 149.88 7.79 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.8 1.24 . . . . 0.0 110.12 173.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -71.69 -27.66 63.19 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.512 -0.742 . . . . 0.0 112.115 169.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -78.87 71.79 5.35 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.847 1.659 . . . . 0.0 113.409 -173.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 45.71 49.56 11.23 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.774 1.629 . . . . 0.0 115.234 171.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 43.82 45.62 6.26 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.828 2.051 . . . . 0.0 116.026 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 61.6 t80 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 124.098 0.959 . . . . 0.0 112.955 165.548 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.0 t -161.81 146.9 13.17 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.558 1.143 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.496 ' H ' ' CD ' ' B' ' 9' ' ' PRO . 11.5 t -162.24 -38.08 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.103 0 N-CA-C 117.457 2.391 . . . . 0.0 117.457 -178.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.496 ' CD ' ' H ' ' B' ' 8' ' ' THR . 3.4 Cg_endo -85.76 12.71 2.96 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.351 2.7 . . . . 0.0 114.716 -164.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 63.6 94.16 0.05 Allowed 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 129.266 3.026 . . . . 0.0 110.926 -168.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.82 170.29 34.0 Favored Glycine 0 CA--C 1.537 1.454 0 CA-C-N 109.862 -3.335 . . . . 0.0 112.781 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.44 ' NE2' HG13 ' A' ' 109' ' ' VAL . 46.9 p-80 -151.19 147.13 26.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.506 1.153 . . . . 0.0 113.927 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.42 163.33 14.71 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.196 -1.565 . . . . 0.0 115.043 -168.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -135.9 27.21 3.28 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.08 1.752 . . . . 0.0 112.249 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -169.72 -38.29 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.388 1.475 . . . . 0.0 114.272 -174.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -67.84 -27.96 67.15 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.708 0.803 . . . . 0.0 112.67 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.5 t -42.35 144.06 0.55 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.929 2.092 . . . . 0.0 116.463 -163.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.633 HD23 HG11 ' A' ' 63' ' ' VAL . 53.4 tp -95.55 125.63 40.29 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.621 1.168 . . . . 0.0 108.667 165.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.7 119.99 23.39 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.883 2.473 . . . . 0.0 111.605 166.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.42 31.64 1.94 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.155 2.582 . . . . 0.0 111.367 169.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -150.26 133.54 16.36 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.997 1.319 . . . . 0.0 110.569 173.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.587 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 5.2 t -161.84 -26.53 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 -167.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.587 ' CD ' ' H ' ' B' ' 24' ' ' THR . 63.7 Cg_endo -82.42 82.8 2.16 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 123.295 2.664 . . . . 0.0 113.392 -169.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 p -155.93 148.87 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.331 1.852 . . . . 0.0 109.643 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -117.95 -17.65 9.67 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.324 1.049 . . . . 0.0 112.682 175.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -150.63 102.35 3.01 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.009 2.123 . . . . 0.0 109.752 169.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 O-C-N 119.46 -2.025 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.531 ' N ' HD21 ' A' ' 31' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -166.22 172.43 11.18 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.791 1.637 . . . . 0.0 111.13 -174.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.1 -162.93 13.9 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.414 1.007 . . . . 0.0 113.694 -173.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -128.58 153.13 79.44 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 125.707 1.603 . . . . 0.0 110.508 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -74.15 166.35 29.78 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.116 1.877 . . . . 0.0 110.435 166.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.3 t -151.96 4.33 0.4 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -175.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.4 p -138.08 125.89 22.46 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.904 1.229 . . . . 0.0 111.608 165.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -38.52 63.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.793 0.837 . . . . 0.0 112.551 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.94 -36.46 51.01 Favored Glycine 0 CA--C 1.54 1.617 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -69.22 -31.25 69.7 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 118.826 1.313 . . . . 0.0 112.546 176.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 tt -84.66 -44.72 13.17 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.503 1.521 . . . . 0.0 111.715 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.57 -42.7 67.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.578 1.551 . . . . 0.0 112.582 173.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -65.73 -33.56 76.15 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.85 -0.531 . . . . 0.0 111.233 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -72.98 -41.85 63.91 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.635 -0.666 . . . . 0.0 111.319 172.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.51 -38.13 88.73 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 120.085 1.311 . . . . 0.0 113.721 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -61.05 -23.59 65.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.586 1.154 . . . . 0.0 111.891 169.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -87.3 -33.71 19.13 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 169.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -54.03 -44.84 71.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 121.293 1.861 . . . . 0.0 114.021 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.82 -43.37 98.98 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.502 -0.748 . . . . 0.0 112.009 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -66.5 -39.33 88.65 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.52 1.054 . . . . 0.0 112.345 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -64.5 -31.02 72.06 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.188 1.795 . . . . 0.0 113.479 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.23 -28.54 1.0 Allowed Glycine 0 CA--C 1.536 1.357 0 N-CA-C 117.06 1.584 . . . . 0.0 117.06 -160.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.493 HG22 ' CE1' ' A' ' 108' ' ' TYR . 43.8 p -86.42 172.46 10.36 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.783 1.791 . . . . 0.0 111.497 177.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -80.34 -28.23 38.17 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.811 -0.556 . . . . 0.0 112.454 167.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -152.9 118.12 5.2 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.414 1.886 . . . . 0.0 112.061 171.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.1 t -81.19 -18.51 45.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.08 1.352 . . . . 0.0 114.184 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.79 -8.43 48.15 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -171.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -87.2 -16.01 36.57 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.939 -1.101 . . . . 0.0 113.716 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 99.3 m-85 -83.34 146.23 28.61 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.397 0.999 . . . . 0.0 112.183 -173.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -115.15 -28.03 7.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.784 0.833 . . . . 0.0 113.058 -173.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -160.81 175.25 12.78 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.824 1.65 . . . . 0.0 112.06 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -154.37 159.82 41.35 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.217 1.807 . . . . 0.0 112.621 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.652 HG11 HD23 ' B' ' 20' ' ' LEU . 9.3 p -148.48 148.95 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.873 1.269 . . . . 0.0 110.074 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.6 mt -130.61 136.36 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 125.845 1.658 . . . . 0.0 108.829 -166.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -118.35 129.17 55.28 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.651 1.58 . . . . 0.0 108.584 172.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p -121.17 164.99 16.03 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 122.479 1.133 . . . . 0.0 112.585 -173.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.64 163.98 3.92 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.583 160.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 52.65 31.98 11.11 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.263 1.425 . . . . 0.0 113.935 -166.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 60.03 28.67 18.23 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.822 2.449 . . . . 0.0 115.398 168.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.06 155.42 42.39 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 114.503 0.561 . . . . 0.0 114.503 174.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -142.26 134.38 27.49 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.72 2.408 . . . . 0.0 108.351 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -144.53 141.76 29.73 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.134 0.974 . . . . 0.0 110.529 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 t -135.03 132.05 37.8 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.687 1.195 . . . . 0.0 110.028 -172.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.4 t -145.86 140.87 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.509 1.124 . . . . 0.0 110.383 -171.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -89.73 149.13 22.88 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 122.08 0.943 . . . . 0.0 112.794 175.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.56 -18.2 13.79 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.388 2.275 . . . . 0.0 111.868 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -58.57 -15.67 12.42 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.315 1.046 . . . . 0.0 113.504 164.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -142.42 147.55 43.66 Favored Pre-proline 0 C--O 1.239 0.523 0 C-N-CA 125.526 1.53 . . . . 0.0 110.415 -171.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.81 133.23 40.86 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.741 2.294 . . . . 0.0 109.857 159.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.68 145.39 47.25 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.434 0.561 . . . . 0.0 112.256 175.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.1 160.1 32.67 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.87 -31.3 71.56 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -171.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -69.12 -37.74 78.5 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.75 1.614 . . . . 0.0 111.213 171.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -69.65 -29.39 66.84 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.187 1.395 . . . . 0.0 111.181 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -63.25 -21.69 66.4 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 167.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -120.58 1.86 10.64 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.517 1.127 . . . . 0.0 113.889 -167.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.31 142.19 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 119.13 0.877 . . . . 0.0 111.934 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -61.19 151.98 30.01 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -176.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.9 mt -117.83 119.13 33.95 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.262 1.825 . . . . 0.0 110.747 175.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.51 -28.51 70.0 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.93 -172.95 38.36 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 119.18 0.9 . . . . 0.0 114.013 -177.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -67.27 149.97 49.68 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.459 1.504 . . . . 0.0 112.091 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 38.5 ttp -74.01 66.38 1.19 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.485 1.914 . . . . 0.0 114.653 -173.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.84 -55.32 10.02 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.885 1.274 . . . . 0.0 114.332 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -150.25 154.58 38.17 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.621 1.101 . . . . 0.0 112.468 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 m -140.99 149.75 42.18 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.49 1.116 . . . . 0.0 110.218 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -135.96 148.75 48.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.35 1.06 . . . . 0.0 111.309 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -143.66 147.97 35.1 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.362 1.465 . . . . 0.0 111.795 -170.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -138.55 135.36 34.97 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.677 1.191 . . . . 0.0 110.115 -162.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 31.8 mttt -75.17 168.06 20.71 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -59.43 74.69 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 128.721 2.808 . . . . 0.0 114.444 175.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.36 26.62 0.73 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.528 2.013 . . . . 0.0 114.008 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -139.11 143.39 38.23 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.538 1.669 . . . . 0.0 112.442 -169.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.9 m -139.55 28.88 2.18 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.41 1.084 . . . . 0.0 112.316 175.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -146.56 119.84 8.95 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 160.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -48.61 159.41 0.23 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -160.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 t -124.24 -14.44 6.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.876 1.271 . . . . 0.0 112.586 168.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.493 ' CE1' HG22 ' A' ' 53' ' ' THR . 38.1 t80 -136.52 136.13 39.11 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.618 1.167 . . . . 0.0 108.65 177.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.473 HG23 ' NE2' ' B' ' 13' ' ' HIS . 20.1 m -140.68 160.04 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 124.631 1.172 . . . . 0.0 111.531 178.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.4 mt -141.99 133.79 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -165.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -98.96 111.6 23.95 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.41 -171.95 23.04 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.93 120.33 6.98 Favored 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.421 2.081 . . . . 0.0 109.384 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.7 135.52 2.99 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 126.807 2.146 . . . . 0.0 110.187 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -110.81 -21.63 11.96 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -166.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -165.11 167.6 18.08 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.023 1.729 . . . . 0.0 108.883 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -80.73 -17.62 50.42 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.961 -1.087 . . . . 0.0 113.455 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -50.63 -67.1 0.28 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 117.813 2.523 . . . . 0.0 117.813 -163.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -160.55 22.08 0.15 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 -163.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 48.29 33.05 3.48 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.878 2.071 . . . . 0.0 116.341 -176.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 38.3 t80 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 126.203 1.801 . . . . 0.0 112.259 -172.194 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.008 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -149.27 151.43 34.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.587 1.155 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.0 m -143.74 140.27 17.13 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 124.777 1.231 . . . . 0.0 109.301 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.73 169.76 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.451 2.767 . . . . 0.0 114.394 169.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -68.11 126.92 31.03 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 160.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.96 169.4 39.04 Favored Glycine 0 CA--C 1.534 1.28 0 CA-C-N 110.635 -2.984 . . . . 0.0 113.68 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.473 ' NE2' HG23 ' A' ' 109' ' ' VAL . 36.1 p-80 -155.57 154.72 32.13 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 122.25 1.024 . . . . 0.0 112.21 178.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.37 151.05 26.02 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.427 -1.42 . . . . 0.0 113.03 -171.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -147.27 35.68 0.9 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.327 0.651 . . . . 0.0 112.427 165.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -160.27 -27.63 0.06 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 -174.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.77 -23.19 21.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.964 0.906 . . . . 0.0 112.002 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -39.49 134.79 1.2 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 -160.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.652 HD23 HG11 ' A' ' 63' ' ' VAL . 47.2 tp -92.83 141.47 28.4 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.161 1.785 . . . . 0.0 107.636 166.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.58 142.09 35.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.69 1.196 . . . . 0.0 112.177 173.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mp -125.15 -1.82 7.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.382 2.673 . . . . 0.0 114.124 -168.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -53.4 -48.79 68.38 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -160.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 12.3 t 31.94 51.86 0.68 Allowed Pre-proline 0 N--CA 1.485 1.321 0 C-N-CA 125.963 1.705 . . . . 0.0 115.041 -171.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.46 159.27 46.72 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.697 2.931 . . . . 0.0 111.973 -166.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 6.3 p -146.92 138.58 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 124.055 0.942 . . . . 0.0 110.748 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -92.28 -3.72 55.04 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -151.22 111.07 4.06 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.364 1.866 . . . . 0.0 109.875 165.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 120.895 -1.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -163.35 -36.14 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.7 29.95 22.51 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 115.847 1.099 . . . . 0.0 115.847 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.5 mt -62.02 124.07 80.4 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 119.713 1.757 . . . . 0.0 112.236 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -74.31 155.83 46.26 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.056 2.504 . . . . 0.0 115.413 -169.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -160.18 48.08 0.26 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 127.074 2.15 . . . . 0.0 109.235 160.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -133.26 158.32 43.21 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.872 0.869 . . . . 0.0 112.323 -171.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.5 mt -51.74 -32.42 30.52 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-O 117.71 -1.138 . . . . 0.0 113.57 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.9 -37.1 52.34 Favored Glycine 0 CA--C 1.538 1.47 0 CA-C-N 120.39 1.45 . . . . 0.0 114.449 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -86.02 -38.46 17.86 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.846 1.323 . . . . 0.0 114.33 175.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.08 -39.5 90.14 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -59.32 -43.05 92.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.323 1.849 . . . . 0.0 113.009 171.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.63 -40.19 91.01 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.025 0.53 . . . . 0.0 111.013 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -64.67 -47.96 76.49 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.849 1.26 . . . . 0.0 112.417 171.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -66.29 -38.15 87.09 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.57 1.077 . . . . 0.0 113.372 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -61.25 -35.62 77.75 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.01 0.924 . . . . 0.0 110.74 171.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -70.56 -41.48 72.38 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -54.23 -31.23 52.76 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.51 -53.58 33.5 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.25 0.932 . . . . 0.0 112.517 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -63.09 -40.22 97.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.825 0.739 . . . . 0.0 112.072 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -77.87 -11.97 59.94 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.558 2.343 . . . . 0.0 115.215 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -135.41 -10.52 1.45 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 116.151 1.22 . . . . 0.0 116.151 -168.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.0 p -114.45 154.96 27.24 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.138 1.469 . . . . 0.0 111.414 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -65.39 -30.17 70.96 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.672 -0.643 . . . . 0.0 111.879 173.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -149.38 111.26 4.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.373 1.469 . . . . 0.0 112.035 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.7 t -70.69 -27.78 64.27 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.251 1.42 . . . . 0.0 114.219 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.8 -7.46 27.89 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -170.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -84.76 -15.69 44.16 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.824 -1.172 . . . . 0.0 112.872 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 89.4 m-85 -85.97 152.06 23.24 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.266 0.939 . . . . 0.0 113.176 -173.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -135.94 -36.73 0.75 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.893 1.277 . . . . 0.0 112.607 -166.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -149.07 172.37 14.88 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.993 0.917 . . . . 0.0 112.405 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -149.93 155.56 40.2 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 125.701 1.6 . . . . 0.0 111.47 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.01 133.52 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 125.948 1.699 . . . . 0.0 109.094 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.3 mt -124.2 132.29 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.168 1.387 . . . . 0.0 107.72 -162.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.2 mt -122.25 101.64 7.64 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.486 1.115 . . . . 0.0 109.131 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -90.5 174.03 7.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.112 0.965 . . . . 0.0 112.556 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -51.18 162.76 0.28 Allowed 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.813 -1.179 . . . . 0.0 110.44 160.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 61.12 34.8 18.88 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.321 1.048 . . . . 0.0 112.856 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 53.89 24.81 4.79 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.665 2.386 . . . . 0.0 114.341 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.78 83.33 0.16 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.593 1.092 . . . . 0.0 112.815 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -77.12 134.91 38.57 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 162.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -143.31 149.02 37.23 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.634 1.574 . . . . 0.0 109.941 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 t -134.97 136.65 42.38 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.786 0.721 . . . . 0.0 111.901 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.5 t -144.19 134.04 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.96 1.304 . . . . 0.0 110.66 -166.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -95.01 113.79 25.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 122.228 1.013 . . . . 0.0 111.191 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.67 -16.63 64.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.194 1.798 . . . . 0.0 111.987 170.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -63.32 -13.45 39.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.445 1.498 . . . . 0.0 114.623 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 64.6 p -146.26 158.82 47.11 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 125.053 1.341 . . . . 0.0 111.53 -172.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.27 154.83 17.52 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 124.314 3.343 . . . . 0.0 113.956 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.28 124.64 20.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.385 1.074 . . . . 0.0 112.26 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.29 133.78 49.31 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.678 1.191 . . . . 0.0 112.62 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.45 -23.59 62.82 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -67.45 -38.81 85.06 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.885 -1.134 . . . . 0.0 111.264 173.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -72.32 -24.08 61.26 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.319 -0.863 . . . . 0.0 112.609 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -64.4 -8.64 14.03 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.585 1.154 . . . . 0.0 113.945 166.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -132.81 -11.16 3.04 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -171.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.09 128.85 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.125 1.37 . . . . 0.0 111.54 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -74.57 136.89 42.08 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.318 -0.864 . . . . 0.0 112.671 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -70.72 106.31 3.5 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.504 1.521 . . . . 0.0 112.095 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.4 mt -56.62 -28.12 59.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.51 1.524 . . . . 0.0 114.961 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -172.84 179.86 44.03 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.255 0.931 . . . . 0.0 113.475 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -70.43 152.56 43.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.997 0.919 . . . . 0.0 113.2 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 36.4 ttp -72.7 60.79 0.51 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 128.042 2.537 . . . . 0.0 115.063 -169.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -53.42 -45.92 69.57 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -151.38 149.24 29.08 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.504 -0.747 . . . . 0.0 111.609 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.0 m -138.24 150.9 47.15 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.295 1.038 . . . . 0.0 110.303 169.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.413 ' CD2' ' CG1' ' A' ' 109' ' ' VAL . 3.9 m-85 -132.88 151.26 52.06 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.334 1.854 . . . . 0.0 111.056 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -143.14 143.48 31.83 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.207 1.403 . . . . 0.0 112.797 -165.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -126.88 134.44 50.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.026 1.33 . . . . 0.0 111.651 -169.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 28.3 mttt -70.48 163.28 27.14 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.399 0.68 . . . . 0.0 112.725 173.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -69.02 52.26 0.09 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.999 2.52 . . . . 0.0 114.249 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.33 41.23 0.02 OUTLIER Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.893 2.187 . . . . 0.0 110.856 -173.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -152.18 149.96 29.32 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.02 0.91 . . . . 0.0 112.801 -167.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.8 m -139.54 12.89 2.54 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.579 2.351 . . . . 0.0 111.987 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -139.49 116.46 10.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.515 1.526 . . . . 0.0 109.313 166.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.75 118.63 10.56 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -161.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.2 t -77.86 -23.76 48.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.447 1.499 . . . . 0.0 114.955 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.433 ' CE2' HD11 ' A' ' 110' ' ' ILE . 64.7 t80 -124.47 145.16 49.68 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.641 0.777 . . . . 0.0 110.125 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.608 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -152.42 155.59 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.584 1.554 . . . . 0.0 111.606 -170.155 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.433 HD11 ' CE2' ' A' ' 108' ' ' TYR . 5.1 mt -145.25 145.89 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 O-C-N 121.284 -0.885 . . . . 0.0 109.868 -169.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -107.62 144.37 34.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.572 1.149 . . . . 0.0 111.296 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.16 -177.67 28.67 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 116.505 -0.316 . . . . 0.0 113.133 174.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.82 138.53 34.63 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.122 2.548 . . . . 0.0 111.379 -177.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.05 -19.73 0.18 Allowed Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.643 2.068 . . . . 0.0 114.197 173.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm 56.12 -21.46 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 129.069 2.948 . . . . 0.0 117.828 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -168.94 152.96 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.272 1.829 . . . . 0.0 109.806 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -82.75 -22.53 34.33 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.742 -0.599 . . . . 0.0 111.794 167.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -81.55 98.49 8.33 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.832 -1.168 . . . . 0.0 112.349 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.0 t80 55.08 25.31 6.91 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 164.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 45.82 34.14 1.77 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.253 1.821 . . . . 0.0 114.107 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 124.175 0.99 . . . . 0.0 112.572 -161.952 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.7 t -138.35 17.15 2.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.538 1.135 . . . . 0.0 114.043 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 18.2 p -136.38 156.86 76.32 Favored Pre-proline 0 N--CA 1.478 0.952 0 C-N-CA 125.327 1.451 . . . . 0.0 112.633 -173.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.58 104.57 0.12 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 124.533 3.488 . . . . 0.0 115.79 -172.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.8 t70 75.34 -67.65 0.24 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 128.228 2.611 . . . . 0.0 114.82 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.58 170.83 0.42 Allowed Glycine 0 CA--C 1.535 1.335 1 CA-C-N 107.103 -4.59 . . . . 0.0 117.68 163.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.608 ' CD2' HG23 ' A' ' 109' ' ' VAL . 41.1 p-80 -149.68 156.51 42.01 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.906 2.082 . . . . 0.0 110.333 171.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -143.96 164.36 30.8 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.075 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -143.3 5.3 1.45 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.561 1.944 . . . . 0.0 113.098 -173.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -141.7 -26.15 0.68 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.963 1.705 . . . . 0.0 113.266 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -102.2 61.77 0.86 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.018 1.327 . . . . 0.0 110.711 165.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.5 t -115.18 161.38 18.5 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.952 2.501 . . . . 0.0 110.371 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -103.72 101.54 11.37 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 171.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.3 102.08 14.8 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.57 1.948 . . . . 0.0 110.933 -177.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mp -68.68 6.62 0.8 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.821 2.448 . . . . 0.0 114.09 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -109.14 -37.63 5.74 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 -166.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.474 ' H ' ' HD3' ' B' ' 25' ' ' PRO . 1.3 t -160.75 4.55 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.628 0 N-CA-C 120.642 3.571 . . . . 0.0 120.642 -159.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.474 ' HD3' ' H ' ' B' ' 24' ' ' THR . 45.3 Cg_endo -62.56 130.23 29.19 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.591 2.861 . . . . 0.0 114.533 -160.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 8.9 p -158.87 120.65 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.64 1.576 . . . . 0.0 109.349 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -127.85 -0.67 6.0 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.712 1.205 . . . . 0.0 114.232 -161.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -142.7 85.02 1.87 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.146 1.378 . . . . 0.0 110.808 174.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 O-C-N 120.994 -1.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' N ' HD21 ' A' ' 31' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -78.53 173.71 12.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.602 1.561 . . . . 0.0 114.697 -173.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.65 -35.35 0.05 OUTLIER Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.353 1.454 . . . . 0.0 113.695 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.0 mt -84.69 140.71 38.15 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 118.369 1.085 . . . . 0.0 110.608 169.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.73 139.99 31.62 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.578 2.185 . . . . 0.0 113.256 -169.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.3 t -150.12 42.89 0.86 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.833 1.253 . . . . 0.0 111.169 164.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.4 p -127.81 148.26 50.44 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.901 -1.124 . . . . 0.0 111.781 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.63 -35.38 70.41 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 117.633 -1.175 . . . . 0.0 113.624 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.74 -50.57 60.14 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 120.846 1.657 . . . . 0.0 112.913 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.96 -33.9 64.06 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.812 1.645 . . . . 0.0 112.435 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tp -71.81 -44.81 63.28 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.502 0.592 . . . . 0.0 112.045 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.7 -40.68 84.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.65 1.58 . . . . 0.0 112.156 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -64.46 -43.74 93.27 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.636 0.374 . . . . 0.0 110.392 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -65.79 -42.79 90.32 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.757 -0.639 . . . . 0.0 112.309 174.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.0 -37.94 82.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.175 1.39 . . . . 0.0 113.688 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -62.69 -33.08 74.35 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.71 170.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -71.72 -44.57 63.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 118.07 -0.966 . . . . 0.0 113.544 168.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.417 ' HA ' ' HE1' ' B' ' 11' ' ' TYS . 54.0 m-85 -55.44 -30.95 61.46 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.61 1.55 . . . . 0.0 112.456 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.38 -48.0 74.42 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 120.87 -1.144 . . . . 0.0 113.89 172.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -70.31 -43.3 70.62 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.78 0.718 . . . . 0.0 112.012 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -57.93 -37.14 73.56 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.782 1.233 . . . . 0.0 113.149 171.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.79 -2.73 25.38 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 116.507 1.363 . . . . 0.0 116.507 -160.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.9 p -122.14 158.94 28.22 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.332 1.566 . . . . 0.0 112.57 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -68.62 -29.2 67.65 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -157.53 100.98 1.82 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.475 2.31 . . . . 0.0 111.6 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 p -65.51 -21.56 66.63 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.7 -23.12 62.87 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -172.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -77.62 -14.31 59.67 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.491 1.116 . . . . 0.0 113.249 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -84.96 144.49 28.29 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.261 0.937 . . . . 0.0 113.111 -173.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -129.8 -30.91 2.0 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.114 1.366 . . . . 0.0 112.89 -165.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -151.35 175.04 12.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 122.234 1.016 . . . . 0.0 111.9 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -150.0 159.4 44.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.138 -1.847 . . . . 0.0 111.169 174.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.61 HG11 HD23 ' B' ' 20' ' ' LEU . 11.2 p -141.79 136.99 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 124.703 1.201 . . . . 0.0 109.555 175.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.4 mt -119.9 124.04 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.656 1.582 . . . . 0.0 107.589 -163.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -118.89 130.42 55.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.845 1.258 . . . . 0.0 110.166 -176.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.2 p -124.38 171.41 9.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.838 0.855 . . . . 0.0 112.078 -172.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -51.66 163.37 0.31 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 120.875 0.369 . . . . 0.0 110.183 160.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 60.67 33.04 20.36 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.454 1.102 . . . . 0.0 113.051 175.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 53.85 31.01 12.38 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.125 2.57 . . . . 0.0 114.83 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.03 139.29 38.1 Favored Glycine 0 CA--C 1.537 1.412 0 O-C-N 121.781 -0.574 . . . . 0.0 112.876 167.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -148.97 123.8 9.93 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 128.371 2.669 . . . . 0.0 107.287 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -143.28 116.71 9.09 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.936 0.894 . . . . 0.0 109.753 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 t -101.72 139.51 37.27 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 119.103 0.865 . . . . 0.0 111.55 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -142.9 119.53 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.366 1.867 . . . . 0.0 109.537 -167.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -77.11 138.02 39.27 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.02 0.914 . . . . 0.0 111.329 172.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.1 mt -95.94 -14.8 22.81 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.384 1.874 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -66.29 -8.97 28.33 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.064 1.346 . . . . 0.0 113.144 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.8 p -135.85 152.83 76.54 Favored Pre-proline 0 C--O 1.241 0.615 0 C-N-CA 126.29 1.836 . . . . 0.0 110.975 -169.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.83 153.01 78.11 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.43 2.753 . . . . 0.0 111.862 166.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -69.28 135.99 51.25 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.634 -0.666 . . . . 0.0 112.18 171.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.36 130.08 44.35 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.752 -0.593 . . . . 0.0 111.241 163.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.73 -21.84 63.38 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -167.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.89 -20.29 65.89 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.575 1.534 . . . . 0.0 112.71 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.43 -26.78 66.98 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.839 1.256 . . . . 0.0 112.185 169.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -70.02 -15.72 63.06 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.317 -0.864 . . . . 0.0 112.866 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -105.99 -24.36 12.43 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.36 115.52 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 119.734 1.152 . . . . 0.0 110.997 -175.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.12 133.06 42.8 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.446 -0.784 . . . . 0.0 109.942 168.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.58 150.68 48.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.978 1.311 . . . . 0.0 111.598 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.09 -27.58 68.17 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.936 0.894 . . . . 0.0 113.067 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.33 -173.97 35.26 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.455 1.026 . . . . 0.0 113.666 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -67.53 146.74 53.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.124 0.97 . . . . 0.0 111.158 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 52.3 ttp -60.21 112.73 2.03 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.462 1.105 . . . . 0.0 111.046 176.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -85.56 -55.36 4.03 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.328 0.513 . . . . 0.0 109.948 169.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -147.91 154.74 40.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.215 0.606 . . . . 0.0 112.583 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.0 m -125.1 142.74 51.3 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 124.378 1.071 . . . . 0.0 108.965 164.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -126.76 133.19 50.9 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.625 1.57 . . . . 0.0 108.284 -172.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -131.46 143.33 50.35 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.159 1.384 . . . . 0.0 111.71 -167.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -134.22 136.49 43.71 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.482 0.713 . . . . 0.0 111.265 -167.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -66.85 165.25 15.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.892 0.877 . . . . 0.0 112.62 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -51.85 110.85 0.51 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.178 1.791 . . . . 0.0 110.536 170.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.0 -1.17 73.75 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 115.735 1.054 . . . . 0.0 115.735 -176.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -96.88 145.08 26.21 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.346 1.573 . . . . 0.0 112.15 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.3 m -138.62 30.59 2.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.439 1.496 . . . . 0.0 111.827 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -143.45 112.0 6.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.36 1.464 . . . . 0.0 108.339 160.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 96.5 p -57.8 106.46 0.36 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -163.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.0 t -67.73 -20.78 65.29 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -126.3 142.11 51.65 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.598 1.159 . . . . 0.0 110.41 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.483 HG23 ' NE2' ' B' ' 13' ' ' HIS . 1.7 m -147.83 154.72 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.748 1.619 . . . . 0.0 112.006 -176.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.4 mt -147.27 136.44 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 124.397 1.079 . . . . 0.0 108.317 -177.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -116.07 152.54 33.4 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.376 0.607 . . . . 0.0 110.883 -168.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.06 177.71 22.55 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.064 1.316 . . . . 0.0 113.162 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -80.29 40.05 0.92 Allowed 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 124.109 3.206 . . . . 0.0 114.239 -167.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.5 -25.68 17.74 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 120.208 -1.557 . . . . 0.0 114.582 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? 61.3 -27.09 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.59 2.356 . . . . 0.0 116.844 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -165.92 163.23 18.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.812 2.045 . . . . 0.0 109.709 -177.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -89.59 -17.91 27.58 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.493 -0.754 . . . . 0.0 113.027 165.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -86.02 76.11 9.86 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.31 1.444 . . . . 0.0 113.345 -164.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 12.2 t80 44.58 53.73 6.93 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.278 1.831 . . . . 0.0 115.184 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.46 64.66 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.397 1.879 . . . . 0.0 113.024 173.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 77.1 t80 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 127.06 2.144 . . . . 0.0 111.273 170.575 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.8 t -134.42 15.86 3.73 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.708 1.203 . . . . 0.0 113.061 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.606 ' H ' ' CD ' ' B' ' 9' ' ' PRO . 2.8 t -155.63 -16.75 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 -176.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.606 ' CD ' ' H ' ' B' ' 8' ' ' THR . 88.2 Cg_endo -79.42 88.57 1.43 Allowed 'Trans proline' 0 C--N 1.355 0.875 0 CA-C-N 124.039 2.478 . . . . 0.0 112.875 -170.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -137.16 69.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 128.087 2.555 . . . . 0.0 106.292 162.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' TYS . . . . . 0.417 ' HE1' ' HA ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.39 167.77 1.4 Allowed Glycine 0 CA--C 1.528 0.862 1 CA-C-N 105.967 -5.106 . . . . 0.0 116.96 160.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.483 ' NE2' HG23 ' A' ' 109' ' ' VAL . 37.6 p-80 -154.76 149.78 26.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 122.307 1.051 . . . . 0.0 111.653 167.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' TYS . . . . . 0.435 ' H ' ' HD1' ' B' ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -145.77 167.83 22.22 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.11 -1.619 . . . . 0.0 110.472 -176.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -131.56 -19.12 2.73 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.842 1.257 . . . . 0.0 113.79 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.32 -19.43 8.28 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -97.35 2.29 50.41 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.628 0.771 . . . . 0.0 112.638 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 t -52.86 159.35 1.15 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.713 2.405 . . . . 0.0 115.207 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.61 HD23 HG11 ' A' ' 63' ' ' VAL . 52.7 tp -100.94 120.53 40.3 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 160.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -95.75 85.9 4.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.57 2.348 . . . . 0.0 111.296 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mp -62.34 -54.27 42.85 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.92 2.088 . . . . 0.0 112.672 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 27.15 6.16 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.344 2 C-N-CA 133.607 4.763 . . . . 0.0 122.163 -173.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.499 ' H ' ' HD2' ' B' ' 25' ' ' PRO . 9.0 t -135.46 -25.65 0.02 OUTLIER Pre-proline 0 N--CA 1.479 1.018 0 N-CA-C 117.705 2.484 . . . . 0.0 117.705 177.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.499 ' HD2' ' H ' ' B' ' 24' ' ' THR . 89.5 Cg_endo -80.47 127.88 6.74 Favored 'Trans proline' 0 C--N 1.353 0.764 0 CA-C-N 123.412 2.254 . . . . 0.0 109.799 168.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -154.81 134.0 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.969 -1.082 . . . . 0.0 112.433 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -145.23 -26.64 0.47 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.501 1.296 . . . . 0.0 114.501 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -163.92 165.62 22.52 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.087 1.355 . . . . 0.0 112.159 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 O-C-N 120.838 -1.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 118.49 -0.767 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.7 m -145.46 14.65 1.43 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.407 1.483 . . . . 0.0 114.388 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.42 101.13 0.2 Allowed Glycine 0 N--CA 1.47 0.953 0 O-C-N 120.903 -1.123 . . . . 0.0 113.861 -171.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -145.11 161.17 43.46 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 126.311 1.845 . . . . 0.0 112.034 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -73.28 -161.88 0.12 Allowed 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 123.415 2.743 . . . . 0.0 109.989 152.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.7 t -152.52 -29.65 0.15 Allowed 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 175.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.0 p -139.95 135.04 32.39 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.96 1.255 . . . . 0.0 113.258 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.18 -36.45 75.35 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.552 1.141 . . . . 0.0 112.832 -171.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.28 -35.93 44.13 Favored Glycine 0 CA--C 1.54 1.614 0 CA-C-N 119.296 0.953 . . . . 0.0 115.078 177.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -71.27 -43.74 66.59 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.342 1.071 . . . . 0.0 111.982 176.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -65.93 -39.77 90.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.194 0.998 . . . . 0.0 112.534 175.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.02 -39.03 71.32 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.333 1.453 . . . . 0.0 112.508 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.88 -42.47 94.79 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.961 -0.462 . . . . 0.0 111.995 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -61.23 -48.04 83.33 Favored 'General case' 0 C--O 1.222 -0.358 0 O-C-N 121.687 -0.633 . . . . 0.0 111.134 172.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.94 -34.64 73.69 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.877 -1.14 . . . . 0.0 113.95 -175.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.4 mtt-85 -66.4 -30.03 70.32 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.069 0.85 . . . . 0.0 112.004 168.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -70.3 -45.77 65.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.741 -0.647 . . . . 0.0 112.67 166.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -55.26 -40.68 71.24 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.781 1.173 . . . . 0.0 113.437 -176.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.99 -42.78 89.37 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.955 1.252 . . . . 0.0 113.037 173.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -68.84 -43.73 74.9 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.46 1.482 . . . . 0.0 112.287 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -65.89 -21.36 66.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.835 1.654 . . . . 0.0 113.809 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.05 -41.52 0.55 Allowed Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.548 1.379 . . . . 0.0 116.548 -163.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.4 p -88.71 159.04 17.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.075 1.437 . . . . 0.0 111.598 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -71.08 -33.23 70.03 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.375 -0.828 . . . . 0.0 112.324 172.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -148.64 117.56 6.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.604 1.562 . . . . 0.0 112.161 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.9 p -72.78 -26.3 61.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.822 1.649 . . . . 0.0 114.554 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.03 5.31 3.44 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -168.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -97.01 -19.53 18.69 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.575 -1.328 . . . . 0.0 112.294 170.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 96.4 m-85 -76.4 149.85 36.86 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.977 0.911 . . . . 0.0 111.259 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.68 -30.52 4.16 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -174.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -155.86 168.18 28.02 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.458 1.503 . . . . 0.0 111.196 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -136.78 155.32 49.98 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 126.78 2.032 . . . . 0.0 110.625 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.616 HG11 HD23 ' B' ' 20' ' ' LEU . 14.5 p -138.06 125.94 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 124.51 1.124 . . . . 0.0 110.179 172.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mp -106.18 135.42 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.557 1.543 . . . . 0.0 108.97 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.6 mt -116.68 125.64 52.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.288 1.435 . . . . 0.0 108.802 173.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.2 p -118.38 172.38 7.5 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.228 0.611 . . . . 0.0 112.042 -170.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.16 169.26 0.18 Allowed 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.596 -0.69 . . . . 0.0 111.106 160.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 53.87 31.39 13.13 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.44 1.096 . . . . 0.0 112.85 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.6 mttt 66.85 17.09 10.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.358 2.263 . . . . 0.0 114.775 169.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.92 150.81 50.86 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 123.478 0.561 . . . . 0.0 114.163 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -148.95 130.77 15.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.324 2.25 . . . . 0.0 108.561 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -146.53 120.86 9.6 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.781 -1.104 . . . . 0.0 110.89 -173.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.8 t -113.22 134.88 54.37 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 119.963 1.256 . . . . 0.0 112.623 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.7 t -145.36 125.29 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.266 1.426 . . . . 0.0 110.76 -170.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -71.52 140.58 49.97 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.513 -0.742 . . . . 0.0 111.98 170.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.55 -15.92 15.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.44 1.896 . . . . 0.0 113.61 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -70.58 -2.14 13.28 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 171.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 p -138.24 152.9 72.5 Favored Pre-proline 0 C--O 1.24 0.591 0 C-N-CA 127.878 2.471 . . . . 0.0 109.272 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.32 150.01 77.37 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.715 2.277 . . . . 0.0 110.89 161.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -70.45 143.74 51.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.631 -0.668 . . . . 0.0 111.312 171.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.06 155.25 24.53 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -50.25 -33.98 21.52 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -69.92 -39.32 76.23 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.81 -1.181 . . . . 0.0 111.665 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -78.66 -25.58 44.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.771 1.629 . . . . 0.0 113.306 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -54.94 -22.83 16.33 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.79 0.836 . . . . 0.0 112.096 166.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -127.89 13.55 6.83 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.402 1.881 . . . . 0.0 113.445 -168.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -76.61 139.12 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.992 -1.068 . . . . 0.0 110.483 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -72.92 149.01 43.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.921 0.888 . . . . 0.0 112.684 -169.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.2 mt -105.25 117.7 34.67 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.004 1.322 . . . . 0.0 112.244 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.82 -31.46 72.44 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.871 1.668 . . . . 0.0 114.0 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.91 169.55 34.66 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.419 1.009 . . . . 0.0 114.755 -172.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -59.27 153.22 19.09 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.868 1.667 . . . . 0.0 111.926 166.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.1 ttp -74.87 69.77 1.89 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.882 1.673 . . . . 0.0 113.085 -172.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -58.64 -42.2 87.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -159.25 153.24 23.38 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.043 -1.036 . . . . 0.0 113.095 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.8 m -135.7 150.14 49.46 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.665 1.186 . . . . 0.0 111.02 172.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -128.4 146.94 50.64 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.283 1.833 . . . . 0.0 110.881 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.02 145.29 39.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.243 1.417 . . . . 0.0 111.949 -173.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.42 ' HE1' HG12 ' A' ' 63' ' ' VAL . 21.1 m-85 -126.58 135.35 51.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.473 1.109 . . . . 0.0 110.748 -164.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 36.5 mttt -73.21 154.18 40.35 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.834 0.743 . . . . 0.0 111.611 171.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -53.33 111.4 0.69 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.84 1.256 . . . . 0.0 113.219 -173.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.82 -15.95 47.81 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 126.66 2.076 . . . . 0.0 115.569 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.41 163.22 21.81 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.353 1.576 . . . . 0.0 113.32 -173.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.8 p -135.84 21.47 3.3 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 175.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -139.43 136.78 35.0 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.54 1.936 . . . . 0.0 107.559 164.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.5 p -66.84 160.01 26.95 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -171.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 t -125.04 -17.65 5.7 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.365 1.466 . . . . 0.0 112.437 173.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -128.64 146.97 50.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.602 0.761 . . . . 0.0 109.998 172.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.468 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -154.54 146.55 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 C-N-CA 124.843 1.257 . . . . 0.0 111.518 -170.815 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.3 mt -143.97 110.3 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -166.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -76.65 149.85 36.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.926 0.89 . . . . 0.0 108.98 174.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.66 -173.95 26.74 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 114.567 0.587 . . . . 0.0 114.567 -175.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -68.35 125.39 12.83 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.267 2.645 . . . . 0.0 112.169 -174.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.98 -19.94 0.14 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.63 1.11 . . . . 0.0 115.632 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.6 tttt 62.3 -35.04 0.12 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 129.247 3.019 . . . . 0.0 116.416 -174.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -162.91 155.73 19.17 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.242 1.817 . . . . 0.0 109.274 -170.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -81.92 -27.28 33.42 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 174.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.06 -16.84 63.79 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 117.569 2.433 . . . . 0.0 117.569 -162.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.0 t80 113.91 111.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 1 C-N-CA 131.733 4.013 . . . . 0.0 109.142 -163.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.25 41.26 0.92 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.134 1.373 . . . . 0.0 114.272 -164.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 73.4 t80 . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.708 1.603 . . . . 0.0 111.981 -174.791 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.208 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.2 -8.89 56.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 127.769 2.428 . . . . 0.0 114.585 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.624 ' H ' ' HD2' ' B' ' 9' ' ' PRO . 0.6 OUTLIER -141.01 -36.46 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 126.203 1.801 . . . . 0.0 113.797 162.233 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.624 ' HD2' ' H ' ' B' ' 8' ' ' THR . 62.9 Cg_endo -80.15 77.28 4.13 Favored 'Trans proline' 0 C--N 1.358 1.076 0 CA-C-N 123.348 2.232 . . . . 0.0 113.92 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -143.29 90.07 2.15 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 126.561 1.944 . . . . 0.0 106.647 162.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.65 172.54 21.15 Favored Glycine 0 CA--C 1.533 1.164 1 CA-C-N 108.013 -4.176 . . . . 0.0 113.923 160.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.468 ' NE2' HG13 ' A' ' 109' ' ' VAL . 35.5 p-80 -151.93 153.51 34.26 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.433 -1.039 . . . . 0.0 111.66 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -147.53 160.19 42.89 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.289 -1.507 . . . . 0.0 111.858 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -132.45 -7.46 3.3 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.692 1.997 . . . . 0.0 114.55 -174.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -121.05 -33.1 3.8 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.388 1.475 . . . . 0.0 112.036 172.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.94 72.88 10.01 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.823 1.297 . . . . 0.0 108.279 160.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -134.57 148.69 50.52 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.495 1.518 . . . . 0.0 110.378 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.616 HD23 HG11 ' A' ' 63' ' ' VAL . 60.0 tp -93.1 121.03 34.03 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 163.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.86 110.42 19.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 122.271 1.034 . . . . 0.0 109.66 162.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.69 -29.69 70.27 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.451 169.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -149.44 -9.52 0.32 Allowed 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 9.3 t -135.59 54.41 10.37 Favored Pre-proline 0 N--CA 1.488 1.47 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -160.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -68.18 143.78 60.45 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 122.371 2.048 . . . . 0.0 111.855 166.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -158.69 150.56 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.697 0.799 . . . . 0.0 113.005 -173.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -128.96 174.74 9.24 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.462 1.905 . . . . 0.0 111.748 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -139.81 65.31 1.43 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.013 1.725 . . . . 0.0 110.886 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 O-C-N 120.417 -1.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.7 p -153.66 162.04 41.61 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.315 1.416 . . . . 0.0 113.855 -175.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.19 164.03 23.17 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 115.235 0.854 . . . . 0.0 115.235 170.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.96 148.03 67.3 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.277 1.431 . . . . 0.0 111.848 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -55.79 138.37 81.39 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.577 2.852 . . . . 0.0 116.924 -170.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.2 t -142.87 45.34 1.58 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.639 1.976 . . . . 0.0 110.634 162.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.7 p -119.49 148.01 43.76 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.077 0.951 . . . . 0.0 111.52 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.36 -38.88 85.22 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -167.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.52 -27.98 66.5 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 121.662 -0.649 . . . . 0.0 113.59 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -85.97 -25.78 25.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.11 0.964 . . . . 0.0 111.873 174.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 tp -68.1 -42.95 79.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.781 0.833 . . . . 0.0 111.813 163.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.8 -37.46 66.1 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.635 1.174 . . . . 0.0 112.89 174.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.63 -36.82 83.49 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.649 -0.657 . . . . 0.0 112.254 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -63.92 -55.97 18.7 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.638 -0.664 . . . . 0.0 110.353 166.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.9 mt -57.84 -34.32 69.58 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -176.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -68.75 -32.47 72.26 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.574 1.149 . . . . 0.0 112.34 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -71.09 -44.52 65.51 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.054 0.843 . . . . 0.0 110.96 169.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CD1' ' CE2' ' B' ' 11' ' ' TYS . 2.3 m-30 -60.55 -28.11 68.19 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.688 1.595 . . . . 0.0 112.007 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.42 -55.7 9.57 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.624 -1.298 . . . . 0.0 113.358 169.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -65.0 -41.13 95.67 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.192 0.906 . . . . 0.0 112.637 -177.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -79.65 -15.53 57.42 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.436 1.494 . . . . 0.0 111.949 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.91 -42.84 2.03 Favored Glycine 0 CA--C 1.527 0.802 0 O-C-N 121.531 -0.731 . . . . 0.0 114.855 -176.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 p -99.57 158.31 15.84 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.97 1.308 . . . . 0.0 111.726 -173.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -68.63 -31.83 71.26 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.697 -0.627 . . . . 0.0 112.59 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -153.02 116.32 4.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.581 1.552 . . . . 0.0 110.621 169.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.4 p -80.47 -17.13 52.58 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.98 -17.45 64.93 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -173.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -70.48 -22.55 62.65 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.213 1.005 . . . . 0.0 112.659 174.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 89.1 m-85 -79.35 142.49 36.0 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.061 0.944 . . . . 0.0 112.495 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -124.52 -34.83 2.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.095 1.358 . . . . 0.0 111.053 -171.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -147.99 174.94 11.4 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 122.295 1.045 . . . . 0.0 113.414 168.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -144.99 162.08 37.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 126.648 1.979 . . . . 0.0 110.861 175.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.608 HG11 HD23 ' B' ' 20' ' ' LEU . 10.0 p -138.0 124.75 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 C-N-CA 124.405 1.082 . . . . 0.0 109.953 174.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -96.97 123.51 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 124.831 1.252 . . . . 0.0 108.72 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.5 mp -105.98 109.38 21.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.265 1.826 . . . . 0.0 108.638 174.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.9 p -102.83 170.22 8.13 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.56 0.695 . . . . 0.0 110.533 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -56.05 163.75 1.45 Allowed 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.581 -0.699 . . . . 0.0 111.747 162.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 59.45 38.47 22.66 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt 70.56 21.08 5.61 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.697 1.999 . . . . 0.0 114.495 170.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.71 135.75 20.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.216 -0.928 . . . . 0.0 112.719 172.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -146.83 111.76 5.37 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.344 2.258 . . . . 0.0 105.96 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -131.34 107.91 9.28 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 110.706 -169.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -85.85 137.34 32.84 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.276 0.63 . . . . 0.0 110.932 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -142.92 118.2 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.303 1.441 . . . . 0.0 109.962 -172.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -82.42 125.78 31.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.49 0.662 . . . . 0.0 110.179 176.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.2 mt -82.68 -19.24 38.52 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.396 1.478 . . . . 0.0 113.023 -174.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -70.05 -5.09 24.25 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -175.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.8 p -145.83 156.1 51.88 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.775 1.23 . . . . 0.0 110.487 -171.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.53 163.21 38.11 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.65 3.566 . . . . 0.0 113.122 172.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.508 HD21 ' HE3' ' A' ' 85' ' ' LYS . 1.1 pt? -106.13 158.01 17.14 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -176.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.12 154.67 33.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.842 2.057 . . . . 0.0 113.231 165.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.91 -25.12 63.13 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.095 -1.003 . . . . 0.0 113.323 173.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.0 -42.38 72.42 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.222 1.009 . . . . 0.0 111.538 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -72.76 -39.07 67.09 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.938 1.295 . . . . 0.0 111.62 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.508 ' HE3' HD21 ' A' ' 80' ' ' LEU . 96.6 mttt -58.89 -14.4 8.95 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 170.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -122.65 -13.45 7.94 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.557 1.143 . . . . 0.0 113.942 -169.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.3 128.67 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.757 1.162 . . . . 0.0 110.189 -176.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.63 121.11 18.21 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.358 0.599 . . . . 0.0 111.156 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.61 140.51 58.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.143 0.577 . . . . 0.0 109.79 168.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.22 -22.73 66.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.689 1.196 . . . . 0.0 113.718 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.12 -172.14 37.02 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.863 1.221 . . . . 0.0 112.881 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -68.56 148.86 49.92 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.143 1.377 . . . . 0.0 113.297 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 30.4 ttp -68.52 66.68 0.12 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.981 2.113 . . . . 0.0 114.81 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -48.85 -48.69 41.67 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.95 1.3 . . . . 0.0 114.021 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -149.35 161.63 41.67 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.334 1.054 . . . . 0.0 113.293 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.7 m -135.53 141.8 45.29 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.456 1.103 . . . . 0.0 110.147 160.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -118.52 142.5 47.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.153 1.781 . . . . 0.0 109.68 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -132.28 145.88 51.6 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.299 1.44 . . . . 0.0 112.131 -168.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -134.56 127.45 31.32 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 125.425 1.49 . . . . 0.0 109.552 -164.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -65.96 168.36 8.28 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.358 0.599 . . . . 0.0 111.963 173.867 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -46.33 107.98 0.12 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.73 1.612 . . . . 0.0 111.378 163.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.52 47.93 5.8 Favored Glycine 0 CA--C 1.543 1.788 0 N-CA-C 116.358 1.303 . . . . 0.0 116.358 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -128.98 163.6 24.99 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.498 1.649 . . . . 0.0 114.053 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.1 t -149.75 22.96 0.89 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.601 1.96 . . . . 0.0 112.617 174.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -151.72 133.71 15.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.859 1.663 . . . . 0.0 107.156 163.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.9 p -59.31 158.3 9.49 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 122.482 1.134 . . . . 0.0 114.024 -170.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.1 m -124.29 -14.97 6.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 113.53 -1.668 . . . . 0.0 112.556 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -142.24 144.63 33.42 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.053 1.741 . . . . 0.0 108.588 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.423 HG13 ' CD2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -152.76 155.55 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.889 1.276 . . . . 0.0 111.712 -175.558 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -138.28 129.41 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 123.8 0.84 . . . . 0.0 108.87 -172.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -89.27 138.3 31.55 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 123.964 0.906 . . . . 0.0 109.476 174.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.4 -175.22 16.3 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 123.332 0.491 . . . . 0.0 113.555 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -67.43 124.82 12.52 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.951 2.434 . . . . 0.0 110.929 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 147.01 162.97 10.23 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 126.652 2.073 . . . . 0.0 109.833 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -141.6 -32.54 0.53 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -166.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -143.7 116.8 8.92 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.461 1.124 . . . . 0.0 113.554 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -70.28 -3.64 18.14 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.701 -1.25 . . . . 0.0 112.485 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -100.12 12.93 35.78 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.179 1.392 . . . . 0.0 113.234 -161.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.255 12.1 t80 75.19 101.69 0.07 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 127.957 2.503 . . . . 0.0 113.081 -176.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.44 77.94 0.27 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.3 1.84 . . . . 0.0 111.407 171.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--O 1.251 1.166 0 C-N-CA 126.225 1.81 . . . . 0.0 113.148 176.417 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.291 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.4 t -155.4 146.06 22.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.194 1.397 . . . . 0.0 112.735 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.6 m -153.11 140.33 13.08 Favored Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 126.825 2.05 . . . . 0.0 111.055 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.7 177.41 0.07 OUTLIER 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 125.119 3.879 . . . . 0.0 116.301 168.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -75.71 99.29 4.33 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.001 -1.062 . . . . 0.0 112.227 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' TYS . . . . . 0.439 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.58 -174.47 10.74 Favored Glycine 0 N--CA 1.439 -1.119 1 CA-C-N 104.75 -5.659 . . . . 0.0 118.451 161.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.423 ' CD2' HG13 ' A' ' 109' ' ' VAL . 39.1 p-80 -156.65 149.61 23.93 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 124.812 1.245 . . . . 0.0 111.441 179.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.72 172.04 8.75 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.305 -1.497 . . . . 0.0 114.622 -163.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -135.56 -22.82 1.46 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.266 1.426 . . . . 0.0 114.023 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -136.08 -26.85 1.14 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.763 1.225 . . . . 0.0 114.098 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.93 -14.5 61.94 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -43.35 149.56 0.24 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.608 HD23 HG11 ' A' ' 63' ' ' VAL . 63.7 tp -94.44 112.32 24.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.162 160.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.9 132.46 45.27 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.809 1.644 . . . . 0.0 111.598 160.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mp -106.84 6.92 29.88 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.281 2.232 . . . . 0.0 113.986 -173.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -144.79 -34.24 0.36 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -166.0 146.76 5.61 Favored Pre-proline 0 N--CA 1.478 0.969 0 CA-C-N 120.025 1.284 . . . . 0.0 109.817 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.08 173.51 14.31 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 123.352 2.701 . . . . 0.0 113.98 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.9 t -44.54 132.79 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.713 1.605 . . . . 0.0 111.369 165.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -134.51 -29.44 1.2 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.99 1.316 . . . . 0.0 114.212 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -158.01 126.46 5.49 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.498 1.119 . . . . 0.0 111.075 -164.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.582 0 O-C-N 121.043 -1.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.4 m -151.57 -25.04 0.2 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.53 167.89 40.37 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 121.082 -1.011 . . . . 0.0 114.522 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.8 mt -146.94 141.92 16.51 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.679 1.592 . . . . 0.0 110.864 -169.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -58.46 -19.49 44.23 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 122.47 2.113 . . . . 0.0 112.19 156.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . 0.328 0.6 OUTLIER 57.09 -7.73 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 131.396 3.878 . . . . 0.0 117.597 174.809 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -138.83 140.08 38.4 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.316 0.962 . . . . 0.0 111.706 160.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -34.34 69.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.791 0.836 . . . . 0.0 112.389 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -48.28 -35.12 14.13 Favored Glycine 0 CA--C 1.536 1.373 0 N-CA-C 115.714 1.046 . . . . 0.0 115.714 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -83.29 -36.7 24.28 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.27 1.035 . . . . 0.0 112.62 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.54 -39.7 81.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.295 0.638 . . . . 0.0 112.39 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.19 -41.71 68.86 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.457 1.103 . . . . 0.0 111.833 172.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.93 -28.65 67.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.468 1.107 . . . . 0.0 112.895 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -71.6 -55.86 6.97 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.575 -0.703 . . . . 0.0 110.725 166.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -66.65 -39.82 88.39 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -168.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -63.17 -33.91 76.48 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.317 0.962 . . . . 0.0 111.39 175.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -74.04 -39.73 63.34 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.841 -0.599 . . . . 0.0 112.057 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.14 -31.38 70.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.519 1.054 . . . . 0.0 113.217 172.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -48.32 81.82 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.833 -1.167 . . . . 0.0 112.897 171.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -65.42 -38.16 89.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.369 0.668 . . . . 0.0 112.394 176.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' HD3' ' CE1' ' B' ' 11' ' ' TYS . 75.7 mttt -75.48 -29.42 59.57 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.587 1.555 . . . . 0.0 114.611 -178.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.24 -13.77 14.64 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 118.974 0.807 . . . . 0.0 115.098 -172.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.7 p -100.56 165.77 11.25 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.925 1.363 . . . . 0.0 112.383 169.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -71.61 -36.56 70.84 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.624 -0.673 . . . . 0.0 111.118 168.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -149.03 116.37 6.13 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.453 1.501 . . . . 0.0 112.746 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -75.91 -20.29 58.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.319 1.448 . . . . 0.0 114.152 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.21 -11.67 61.06 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -169.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -81.03 -12.41 59.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 0.0 113.486 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.444 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 84.3 m-85 -85.13 146.18 27.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.162 0.985 . . . . 0.0 112.707 -174.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -128.2 -27.5 2.7 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.005 1.322 . . . . 0.0 111.905 -166.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -153.33 171.63 18.29 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.709 0.803 . . . . 0.0 112.952 168.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -146.93 156.97 43.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.635 1.974 . . . . 0.0 111.632 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.68 HG11 HD23 ' B' ' 20' ' ' LEU . 12.1 p -146.51 143.23 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.023 1.329 . . . . 0.0 110.358 -176.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -128.44 128.26 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.725 1.21 . . . . 0.0 108.572 -160.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.2 mt -118.58 128.0 54.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.387 1.075 . . . . 0.0 109.821 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -119.11 175.6 5.7 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.327 0.651 . . . . 0.0 112.549 -173.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -52.64 164.1 0.39 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 160.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 57.68 31.85 21.01 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.288 1.035 . . . . 0.0 113.242 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 55.37 28.54 11.61 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.908 2.883 . . . . 0.0 115.407 174.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.56 140.3 34.9 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 117.807 0.276 . . . . 0.0 112.884 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -137.9 130.08 28.98 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.811 2.044 . . . . 0.0 108.976 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -143.16 142.53 31.49 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.679 1.191 . . . . 0.0 109.904 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.7 t -132.74 142.42 49.02 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.459 1.027 . . . . 0.0 112.359 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -144.21 123.88 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.178 1.391 . . . . 0.0 110.288 -168.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -75.22 140.35 43.19 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.231 1.015 . . . . 0.0 111.296 170.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.3 mt -95.11 0.37 54.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.687 1.595 . . . . 0.0 112.199 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -66.13 -17.73 64.9 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.157 0.983 . . . . 0.0 113.553 169.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -152.09 153.86 31.76 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 127.348 2.259 . . . . 0.0 109.745 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.45 153.0 79.34 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.197 3.264 . . . . 0.0 112.074 168.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.11 134.62 32.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.778 1.631 . . . . 0.0 113.613 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.67 150.66 48.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.767 1.227 . . . . 0.0 112.191 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -65.13 -35.47 81.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.786 -1.196 . . . . 0.0 113.239 -171.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.36 -10.03 56.09 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.67 -1.268 . . . . 0.0 112.899 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -109.71 -25.72 10.24 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.13 1.772 . . . . 0.0 112.697 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -54.93 -26.08 33.75 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.666 -1.271 . . . . 0.0 111.965 160.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -112.55 8.2 19.15 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.081 1.752 . . . . 0.0 115.012 -176.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.7 p -84.37 139.97 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 121.559 1.982 . . . . 0.0 111.879 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -60.01 154.29 19.42 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.871 1.268 . . . . 0.0 113.187 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.7 mt -113.12 129.18 56.59 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.846 1.258 . . . . 0.0 110.715 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.8 mt -72.81 -31.95 65.19 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.037 0.935 . . . . 0.0 113.422 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -160.13 176.84 36.78 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.19 0.9 . . . . 0.0 114.54 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -66.32 157.61 31.25 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.992 1.717 . . . . 0.0 112.435 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 ttp -70.58 64.39 0.29 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.562 2.745 . . . . 0.0 113.79 -172.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -61.71 -38.79 89.16 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.423 -1.423 . . . . 0.0 114.398 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.2 152.42 30.34 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.025 0.93 . . . . 0.0 111.979 -176.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -143.35 144.15 31.96 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.671 -1.268 . . . . 0.0 109.988 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -124.24 153.79 41.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.009 1.323 . . . . 0.0 111.866 175.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -143.2 149.07 37.48 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.747 1.619 . . . . 0.0 111.612 -171.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.418 ' HE1' HG12 ' A' ' 63' ' ' VAL . 15.9 m-85 -136.61 130.63 32.58 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.256 1.422 . . . . 0.0 109.059 -164.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 25.0 mttt -70.01 170.14 11.94 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.421 0.555 . . . . 0.0 111.086 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -53.12 123.02 10.61 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.933 -0.48 . . . . 0.0 111.487 170.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.56 36.87 18.71 Favored Glycine 0 CA--C 1.536 1.386 0 N-CA-C 115.431 0.932 . . . . 0.0 115.431 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -130.17 159.14 37.73 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.668 1.734 . . . . 0.0 113.816 -177.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.1 p -144.19 13.48 1.62 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.976 1.71 . . . . 0.0 114.071 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -140.7 138.37 34.19 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.752 1.621 . . . . 0.0 107.468 160.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.4 p -58.51 161.5 4.5 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -168.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.6 t -123.28 -19.09 6.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.127 1.371 . . . . 0.0 112.502 170.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -142.25 145.63 34.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 125.196 1.398 . . . . 0.0 109.355 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.78 155.9 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.459 1.504 . . . . 0.0 112.244 -173.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.4 HG12 ' CA ' ' B' ' 12' ' ' GLY . 58.2 mt -133.31 127.69 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -176.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -91.26 139.59 30.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.775 1.63 . . . . 0.0 108.806 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.0 -178.64 29.49 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 121.371 -0.831 . . . . 0.0 114.614 -175.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -71.21 133.0 22.04 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 123.303 2.669 . . . . 0.0 112.312 -173.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 164.54 -17.18 0.11 Allowed Glycine 0 CA--C 1.538 1.521 0 C-N-CA 126.006 1.765 . . . . 0.0 115.136 175.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.2 tptt 62.77 -22.72 0.05 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.438 2.295 . . . . 0.0 117.04 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -175.47 159.62 2.44 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.789 2.036 . . . . 0.0 109.116 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -81.67 -23.73 36.7 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.208 -0.933 . . . . 0.0 112.167 168.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -86.63 34.25 0.65 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.123 1.769 . . . . 0.0 114.316 -163.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.318 0.9 OUTLIER 63.58 141.24 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 128.932 2.893 . . . . 0.0 113.851 -161.359 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.99 60.19 1.38 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.819 0.847 . . . . 0.0 112.341 -162.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 36.3 t80 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 127.651 2.38 . . . . 0.0 108.9 166.08 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.021 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -143.38 -5.7 0.84 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.37 159.31 42.27 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.511 1.524 . . . . 0.0 111.312 -178.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -46.72 167.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.763 1 C-N-CA 125.518 4.145 . . . . 0.0 117.291 174.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -75.1 98.55 3.71 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.491 1.116 . . . . 0.0 109.832 160.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' TYS . . . . . 0.406 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.4 ' CA ' HG12 ' A' ' 110' ' ' ILE . . . 163.34 156.66 8.76 Favored Glycine 0 N--CA 1.435 -1.393 0 CA-C-N 111.27 -2.695 . . . . 0.0 113.517 177.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -146.49 148.82 32.63 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.374 1.083 . . . . 0.0 111.385 -173.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.89 163.83 14.57 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.776 -1.202 . . . . 0.0 113.653 -173.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -144.55 21.28 1.68 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.073 1.349 . . . . 0.0 112.09 168.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -155.43 -11.83 0.11 Allowed 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 -162.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -120.32 -11.82 9.11 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.168 1.387 . . . . 0.0 112.776 178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -44.1 142.27 1.48 Allowed 'General case' 0 C--O 1.238 0.472 0 C-N-CA 127.861 2.464 . . . . 0.0 116.699 -170.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.68 HD23 HG11 ' A' ' 63' ' ' VAL . 48.2 tp -87.92 122.7 31.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.949 164.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -81.78 133.81 35.37 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.191 1.396 . . . . 0.0 111.678 162.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mp -108.24 27.21 9.54 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.196 2.998 . . . . 0.0 112.279 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -137.56 146.17 43.76 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.472 1.509 . . . . 0.0 110.631 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.468 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 3.6 t -178.7 -34.51 0.0 OUTLIER Pre-proline 0 N--CA 1.479 1.025 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -169.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.468 ' CD ' ' H ' ' B' ' 24' ' ' THR . 81.1 Cg_endo -80.84 152.6 19.34 Favored 'Trans proline' 0 C--N 1.352 0.733 0 CA-C-N 122.75 2.018 . . . . 0.0 115.434 -158.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 14.7 p -157.59 139.43 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.108 1.763 . . . . 0.0 110.642 176.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -147.92 160.91 42.3 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.636 1.574 . . . . 0.0 110.627 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -141.75 76.44 1.54 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.574 1.55 . . . . 0.0 110.153 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 120.818 -1.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 119.235 -0.412 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 t -131.89 -13.48 3.22 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -170.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.52 -152.25 23.36 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 116.871 1.509 . . . . 0.0 116.871 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.9 mt -146.77 170.64 7.47 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 129.593 3.157 . . . . 0.0 108.428 170.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -61.08 -87.27 0.0 OUTLIER 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 122.685 2.257 . . . . 0.0 110.254 161.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . 0.288 3.5 t 40.96 38.98 0.75 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.326 1.451 . . . . 0.0 113.685 -174.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 p -114.36 147.64 38.85 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.792 1.637 . . . . 0.0 111.049 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -35.47 63.05 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.515 -0.755 . . . . 0.0 112.709 172.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.17 -53.47 46.04 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 119.964 1.256 . . . . 0.0 115.18 174.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -68.46 -39.68 81.35 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 117.954 0.877 . . . . 0.0 111.952 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.61 -46.55 88.63 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 168.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.64 -41.96 91.66 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.481 1.113 . . . . 0.0 112.209 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -58.76 -42.26 88.51 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.375 0.534 . . . . 0.0 110.635 176.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -62.84 -55.97 21.53 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.437 0.695 . . . . 0.0 111.088 171.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.5 mt -65.18 -39.45 92.9 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -172.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -73.06 -22.51 60.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.665 1.12 . . . . 0.0 113.15 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -70.85 -39.71 72.79 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 117.489 -1.243 . . . . 0.0 113.165 162.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -54.4 -42.87 70.92 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.857 1.662 . . . . 0.0 113.651 -175.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.16 -43.13 99.17 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.466 1.03 . . . . 0.0 113.05 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -68.24 -44.22 76.17 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.5 1.045 . . . . 0.0 111.8 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -64.0 -17.86 63.73 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.737 2.015 . . . . 0.0 114.04 172.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.23 -41.01 0.38 Allowed Glycine 0 CA--C 1.536 1.386 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 -161.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.427 HG22 ' CE1' ' A' ' 108' ' ' TYR . 43.9 p -93.78 162.55 13.88 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.766 1.626 . . . . 0.0 111.384 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.51 -33.36 69.16 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.42 -0.8 . . . . 0.0 113.004 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -153.05 89.27 1.36 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.369 2.268 . . . . 0.0 112.771 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -52.41 -29.68 25.49 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.889 2.076 . . . . 0.0 115.793 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.61 -20.47 60.72 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -168.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -70.91 -24.09 62.39 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.405 1.482 . . . . 0.0 113.692 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 86.4 m-85 -73.27 152.05 41.13 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.011 0.924 . . . . 0.0 111.476 -178.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.83 -30.37 2.27 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.062 -1.023 . . . . 0.0 113.514 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -148.56 170.52 17.9 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -138.28 159.9 40.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 126.453 1.901 . . . . 0.0 111.795 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.668 HG11 HD23 ' B' ' 20' ' ' LEU . 12.7 p -145.71 144.56 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.646 1.579 . . . . 0.0 110.325 176.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 mt -130.91 131.71 64.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 125.584 1.553 . . . . 0.0 108.014 -167.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.51 116.01 27.46 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.477 1.111 . . . . 0.0 108.348 173.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.0 p -104.25 171.08 7.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.331 0.653 . . . . 0.0 111.098 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.59 162.71 1.54 Allowed 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.317 -0.865 . . . . 0.0 111.39 161.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 63.08 40.46 9.06 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.769 1.227 . . . . 0.0 114.235 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.8 mttt 62.93 24.26 14.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.265 1.826 . . . . 0.0 114.638 170.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.59 138.76 21.44 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 121.68 0.6 . . . . 0.0 113.264 173.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -142.9 123.87 14.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.59 2.356 . . . . 0.0 107.043 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -140.04 143.01 36.16 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.942 0.897 . . . . 0.0 110.086 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t -141.75 144.4 33.99 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.441 1.018 . . . . 0.0 112.648 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.5 t -143.15 133.22 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.174 1.39 . . . . 0.0 109.812 -175.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -78.91 127.95 32.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.83 0.824 . . . . 0.0 110.328 166.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.2 mt -79.58 -9.61 59.65 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.944 1.697 . . . . 0.0 114.287 -172.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -68.03 -9.39 45.45 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.0 p -142.95 147.45 41.48 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 126.076 1.751 . . . . 0.0 110.304 -171.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.94 135.27 58.26 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.239 2.626 . . . . 0.0 110.842 161.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -74.8 158.04 34.13 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.45 151.24 32.77 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.038 1.335 . . . . 0.0 113.507 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.42 -20.53 64.58 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 -170.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.48 -46.37 80.03 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.343 1.428 . . . . 0.0 110.624 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -71.71 -22.59 61.61 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.34 1.056 . . . . 0.0 112.872 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.91 -21.22 60.81 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 169.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -128.01 12.21 6.65 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.547 1.539 . . . . 0.0 114.132 -173.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -83.52 131.85 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.637 1.108 . . . . 0.0 109.852 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -78.59 135.8 37.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.654 1.181 . . . . 0.0 112.488 -171.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.3 mt -80.81 131.79 35.43 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.906 1.682 . . . . 0.0 110.542 170.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.02 -25.88 67.22 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.86 -172.72 32.68 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.091 0.853 . . . . 0.0 114.163 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -68.84 152.87 44.74 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.697 1.999 . . . . 0.0 112.798 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 32.9 ttp -69.81 60.13 0.16 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.471 2.308 . . . . 0.0 114.686 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.484 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 15.7 t80 -51.34 -50.86 58.64 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.349 1.059 . . . . 0.0 113.602 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.484 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 15.0 ttpt -156.78 145.43 19.91 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 119.497 1.044 . . . . 0.0 112.953 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.7 m -132.22 150.68 52.1 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.074 1.35 . . . . 0.0 110.555 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -134.51 151.67 51.28 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.029 2.132 . . . . 0.0 111.862 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -145.82 146.05 31.01 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.656 1.183 . . . . 0.0 112.589 -169.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.416 ' HE1' HG12 ' A' ' 63' ' ' VAL . 14.1 m-85 -133.73 136.91 44.93 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.835 1.254 . . . . 0.0 110.945 -163.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -76.53 164.04 26.33 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.781 0.719 . . . . 0.0 111.526 174.184 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -47.67 112.2 0.52 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.793 1.237 . . . . 0.0 112.258 175.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.68 6.21 70.54 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.44 1.495 . . . . 0.0 115.398 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -90.2 164.87 14.25 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.476 1.638 . . . . 0.0 112.984 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.2 p -138.22 -4.07 1.72 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.416 1.886 . . . . 0.0 114.432 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -129.46 139.68 51.53 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.498 1.919 . . . . 0.0 108.329 166.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 t -67.18 156.53 36.0 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -170.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.5 t -122.99 -18.68 6.33 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.299 1.84 . . . . 0.0 113.66 173.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.427 ' CE1' HG22 ' A' ' 53' ' ' THR . 28.0 t80 -129.06 138.6 51.97 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.346 0.976 . . . . 0.0 109.909 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.524 HG23 ' NE2' ' B' ' 13' ' ' HIS . 0.9 OUTLIER -143.12 151.39 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 125.295 1.438 . . . . 0.0 110.808 -172.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.2 mt -144.14 124.48 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 -170.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -98.4 137.03 37.69 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.026 1.33 . . . . 0.0 109.225 -175.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.34 -176.52 23.43 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.46 0.552 . . . . 0.0 113.649 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.8 136.06 34.54 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.033 2.489 . . . . 0.0 111.772 -173.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 133.92 157.66 8.33 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 127.941 2.686 . . . . 0.0 109.074 -171.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -135.26 -28.31 1.16 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -171.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.1 t -146.5 128.11 15.15 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.294 1.406 . . . . 0.0 112.357 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -71.04 -4.79 26.83 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 172.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -92.28 -15.14 27.84 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -169.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.6 t80 127.28 138.5 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.009 1 C-N-CA 131.87 4.068 . . . . 0.0 110.362 -174.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.74 121.68 36.91 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.472 1.109 . . . . 0.0 113.266 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 86.4 t80 . . . . . 0 C--O 1.252 1.194 0 C-N-CA 127.203 2.201 . . . . 0.0 109.675 169.903 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.2 t -139.41 10.86 2.53 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.495 1.118 . . . . 0.0 113.859 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -127.29 -62.28 0.02 OUTLIER Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.109 1.363 . . . . 0.0 113.363 -160.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -69.7 153.32 69.33 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 CA-C-N 122.633 1.976 . . . . 0.0 114.839 -163.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 86.12 92.94 0.03 OUTLIER 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 130.437 3.495 . . . . 0.0 109.382 -163.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.72 173.91 43.78 Favored Glycine 0 N--CA 1.432 -1.593 0 CA-C-N 108.567 -3.924 . . . . 0.0 113.665 171.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.524 ' NE2' HG23 ' A' ' 109' ' ' VAL . 37.3 p-80 -154.1 150.13 27.85 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 122.245 1.021 . . . . 0.0 111.868 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -154.81 157.21 37.57 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.792 -1.193 . . . . 0.0 112.36 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -126.84 -9.95 6.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.94 1.696 . . . . 0.0 114.508 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.84 -20.3 5.04 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -175.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -96.39 9.32 41.61 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.768 1.227 . . . . 0.0 112.11 171.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.1 t -57.14 165.7 1.28 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.805 2.042 . . . . 0.0 114.785 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.668 HD23 HG11 ' A' ' 63' ' ' VAL . 58.1 tp -110.07 142.47 41.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.445 1.898 . . . . 0.0 107.028 161.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.7 149.4 26.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 123.605 1.669 . . . . 0.0 112.397 162.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -110.73 -32.31 6.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 112.301 -2.227 . . . . 0.0 112.113 -172.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -172.28 177.53 3.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.051 2.14 . . . . 0.0 109.076 -172.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.546 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 11.0 t -148.78 -20.24 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.018 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 173.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.546 ' CD ' ' H ' ' B' ' 24' ' ' THR . 67.4 Cg_endo -72.53 132.34 18.83 Favored 'Trans proline' 0 C--N 1.355 0.921 0 CA-C-N 124.206 2.538 . . . . 0.0 111.886 -177.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -159.0 137.2 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.343 1.457 . . . . 0.0 110.094 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -71.26 -26.35 62.85 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 120.935 -1.103 . . . . 0.0 113.809 -170.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -155.37 151.53 28.0 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.486 1.914 . . . . 0.0 110.577 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.412 0 O-C-N 121.247 -0.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.8 m -60.99 -29.2 69.54 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 172.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.1 -48.43 0.35 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.296 -1.28 . . . . 0.0 115.255 -164.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -146.97 99.59 3.98 Favored Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 119.128 1.464 . . . . 0.0 112.206 -168.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -85.63 150.83 10.13 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.78 2.986 . . . . 0.0 111.832 171.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t -140.25 29.22 2.02 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 122.422 1.105 . . . . 0.0 112.592 166.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.5 p -139.29 155.5 47.69 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.961 1.704 . . . . 0.0 109.074 163.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.1 mt -57.81 -37.89 74.57 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.331 169.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.06 -43.07 62.15 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 119.808 1.185 . . . . 0.0 113.687 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -76.85 -39.08 52.42 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.923 1.289 . . . . 0.0 112.83 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.1 tp -73.09 -42.58 62.83 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -62.37 -41.25 98.47 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.986 1.715 . . . . 0.0 111.105 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.91 -39.32 93.9 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.37 -0.831 . . . . 0.0 111.862 171.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -55.82 -57.28 12.7 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.653 0.781 . . . . 0.0 110.807 170.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.77 -34.36 78.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.096 0.958 . . . . 0.0 113.305 -171.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mtt-85 -64.61 -34.03 77.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.305 0.642 . . . . 0.0 111.874 170.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -72.36 -40.49 67.3 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 172.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.23 -38.09 73.24 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.33 -50.94 71.63 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.886 -1.134 . . . . 0.0 112.785 172.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -58.71 -42.2 88.12 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.329 0.968 . . . . 0.0 111.976 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -65.02 -32.43 74.15 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 127.488 2.315 . . . . 0.0 114.564 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.05 -27.3 2.28 Favored Glycine 0 CA--C 1.538 1.508 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 -161.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.8 p -93.33 165.84 12.59 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.625 1.212 . . . . 0.0 113.447 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -73.51 -36.16 65.71 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.685 -0.634 . . . . 0.0 110.51 170.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -149.2 148.96 30.22 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.403 2.281 . . . . 0.0 110.3 171.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -105.64 -19.99 13.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.921 1.688 . . . . 0.0 113.448 176.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.97 -24.59 67.78 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 -168.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.7 pm0 -79.72 -17.94 52.4 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.018 1.727 . . . . 0.0 112.773 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -73.65 153.67 40.04 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 122.128 0.966 . . . . 0.0 111.407 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -131.3 -40.67 1.12 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.598 1.559 . . . . 0.0 111.576 -171.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HD2' HG23 ' A' ' 73' ' ' THR . 15.9 pttt -144.88 171.9 13.78 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.845 0.831 . . . . 0.0 113.189 174.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -136.6 164.0 29.24 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 125.947 1.699 . . . . 0.0 111.138 167.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.548 HG11 HD23 ' B' ' 20' ' ' LEU . 5.5 p -138.1 130.35 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 125.257 1.423 . . . . 0.0 109.408 172.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.3 mt -110.47 131.68 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 125.046 1.338 . . . . 0.0 107.864 -170.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.7 mt -115.34 108.07 16.06 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.287 1.035 . . . . 0.0 109.786 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.1 p -100.59 167.57 10.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.823 0.849 . . . . 0.0 111.853 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -52.63 159.64 1.03 Allowed 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.132 -0.98 . . . . 0.0 111.229 160.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 60.35 42.41 14.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.317 1.047 . . . . 0.0 113.307 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt 63.82 13.19 7.31 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.452 2.301 . . . . 0.0 114.929 166.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.0 126.13 22.98 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.561 0.601 . . . . 0.0 112.077 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -128.81 110.99 12.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.402 1.881 . . . . 0.0 106.498 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -124.17 103.39 8.23 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.237 0.615 . . . . 0.0 110.872 -171.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.438 HG23 ' HD2' ' A' ' 61' ' ' LYS . 2.3 m -72.16 138.45 47.65 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.677 0.791 . . . . 0.0 110.208 167.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.5 t -138.71 126.36 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.019 1.327 . . . . 0.0 109.573 171.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -86.3 115.15 23.66 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.952 0.901 . . . . 0.0 110.067 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.87 -23.68 44.73 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.77 1.628 . . . . 0.0 112.645 -174.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -67.94 7.99 0.46 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 126.241 1.817 . . . . 0.0 114.579 175.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.86 142.46 17.9 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 126.985 2.114 . . . . 0.0 110.07 169.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -50.04 144.52 21.83 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 125.206 3.937 . . . . 0.0 113.163 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -55.96 141.19 40.54 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -174.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.01 118.48 7.89 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.85 0.46 . . . . 0.0 110.436 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.98 -19.36 61.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -171.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -65.18 -24.94 67.51 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.813 1.245 . . . . 0.0 113.3 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -58.76 -23.48 60.11 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.824 1.25 . . . . 0.0 112.592 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.18 -10.22 56.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.457 1.103 . . . . 0.0 113.262 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -126.21 -4.08 6.81 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.123 1.369 . . . . 0.0 113.87 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 p -80.86 146.01 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 120.852 -1.155 . . . . 0.0 110.897 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -77.83 156.41 30.46 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.53 1.132 . . . . 0.0 113.029 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.15 121.37 43.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.636 1.574 . . . . 0.0 109.414 170.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.2 mt -53.11 -30.7 38.0 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.599 1.56 . . . . 0.0 114.164 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.07 -172.53 35.15 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.576 1.084 . . . . 0.0 113.174 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -63.82 148.31 49.63 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.079 1.752 . . . . 0.0 114.223 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttt -66.68 64.48 0.05 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 128.327 2.651 . . . . 0.0 113.735 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -58.29 -49.02 78.63 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.412 -1.43 . . . . 0.0 113.26 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -156.88 158.65 37.1 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.3 m -141.0 148.18 39.89 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.606 1.562 . . . . 0.0 110.515 171.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -126.09 151.17 47.55 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.552 1.541 . . . . 0.0 111.847 174.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -132.18 151.22 51.91 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.032 1.333 . . . . 0.0 112.197 -170.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -140.48 130.89 25.27 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.148 0.979 . . . . 0.0 110.377 -166.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.33 176.99 8.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.039 1.336 . . . . 0.0 109.789 169.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -49.06 119.9 3.57 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.94 1.74 49.15 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 118.24 2.056 . . . . 0.0 118.24 172.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -64.93 160.1 21.39 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 120.876 2.338 . . . . 0.0 114.538 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 63.5 p -129.62 6.54 5.19 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.923 1.689 . . . . 0.0 114.348 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -140.34 136.52 33.28 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.749 -1.22 . . . . 0.0 109.568 161.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 t -70.22 157.39 37.75 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -130.63 7.06 4.81 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.449 2.299 . . . . 0.0 112.596 167.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -143.15 132.98 23.98 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.587 1.54 . . . . 0.0 111.144 170.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.406 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -147.97 153.01 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.607 0 C-N-CA 123.999 0.92 . . . . 0.0 111.626 -169.742 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.7 mt -142.72 137.91 27.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 124.077 0.951 . . . . 0.0 108.607 -164.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -108.29 156.14 19.71 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.189 1.396 . . . . 0.0 110.965 -170.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.61 -170.77 34.49 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -67.16 133.51 30.97 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 123.133 2.555 . . . . 0.0 111.159 -178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 149.27 156.29 7.12 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 127.944 2.688 . . . . 0.0 109.636 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -131.72 -26.3 2.02 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -165.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.4 t -156.34 142.18 17.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.395 1.078 . . . . 0.0 110.231 168.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -78.93 -18.37 53.94 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.508 -0.745 . . . . 0.0 111.828 168.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.44 -20.98 66.6 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.329 1.604 . . . . 0.0 115.329 -174.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.324 0.0 OUTLIER 121.84 137.84 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.665 1 C-N-CA 133.099 4.559 . . . . 0.0 111.641 -175.347 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.73 54.99 0.65 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.991 2.117 . . . . 0.0 114.255 -170.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.248 1.419 . . . . 0.0 112.13 -174.95 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.008 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.6 t -66.22 -15.15 62.94 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 125.432 1.493 . . . . 0.0 114.52 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.497 ' H ' ' HD2' ' B' ' 9' ' ' PRO . 10.3 t -148.01 -39.63 0.01 OUTLIER Pre-proline 0 CA--C 1.544 0.72 0 CA-C-O 116.128 -1.891 . . . . 0.0 115.547 166.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.497 ' HD2' ' H ' ' B' ' 8' ' ' THR . 34.4 Cg_endo -84.76 57.45 5.0 Favored 'Trans proline' 0 C--N 1.355 0.875 0 CA-C-N 124.059 2.485 . . . . 0.0 114.559 -169.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' B' ' 12' ' ' GLY . 0.9 OUTLIER -130.03 80.4 1.95 Allowed 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 127.629 2.372 . . . . 0.0 106.406 165.662 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' B' ' 10' ' ' ASP . . . 91.38 166.34 40.27 Favored Glycine 0 N--CA 1.427 -1.923 0 CA-C-N 109.872 -3.331 . . . . 0.0 111.345 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.406 ' NE2' HG13 ' A' ' 109' ' ' VAL . 33.2 p-80 -154.52 148.68 25.9 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 123.471 0.708 . . . . 0.0 112.643 -177.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.29 169.1 17.7 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.595 -1.316 . . . . 0.0 113.357 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -140.89 21.13 2.31 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.148 0.979 . . . . 0.0 113.227 167.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -167.04 -35.7 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.252 1.421 . . . . 0.0 113.325 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -78.79 -8.91 59.21 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -173.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.3 t -39.09 166.35 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 131.096 3.758 . . . . 0.0 117.55 172.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.548 HD23 HG11 ' A' ' 63' ' ' VAL . 29.2 tp -103.28 117.65 34.98 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.506 1.522 . . . . 0.0 107.461 160.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -78.36 111.92 14.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.938 1.695 . . . . 0.0 110.429 162.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -81.04 -11.39 59.54 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.723 2.409 . . . . 0.0 114.32 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -69.3 4.43 1.71 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 5.8 t -152.26 139.75 12.85 Favored Pre-proline 0 N--CA 1.474 0.74 0 C-N-CA 124.415 1.086 . . . . 0.0 110.829 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -85.46 128.76 3.55 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.851 3.034 . . . . 0.0 111.655 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 p -167.14 150.44 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.15 0.98 . . . . 0.0 111.158 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.75 -15.38 0.42 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.985 1.714 . . . . 0.0 114.101 173.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -143.06 -51.63 0.36 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.324 2.249 . . . . 0.0 110.019 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 121.025 -1.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 118.836 -0.602 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 t -66.43 148.22 52.18 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.662 1.585 . . . . 0.0 113.937 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.53 162.47 22.9 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 115.731 1.052 . . . . 0.0 115.731 167.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.9 mt -147.18 158.1 44.96 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.82 2.048 . . . . 0.0 111.36 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -63.61 -30.98 70.77 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.514 2.143 . . . . 0.0 112.308 168.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . 0.296 1.0 OUTLIER 58.51 -12.02 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 164.365 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 p -131.28 132.83 44.85 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.497 1.499 . . . . 0.0 111.741 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.09 -32.57 73.98 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -169.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.82 -40.22 33.65 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 119.085 0.857 . . . . 0.0 114.569 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -65.58 -37.93 88.06 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.18 0.99 . . . . 0.0 113.345 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -72.53 -39.21 67.7 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.16 0.584 . . . . 0.0 111.632 175.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.58 -40.57 75.45 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.355 0.98 . . . . 0.0 112.691 173.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -63.7 -47.06 82.66 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.106 0.562 . . . . 0.0 110.48 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -59.06 -46.07 89.19 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.23 1.012 . . . . 0.0 112.096 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.15 -40.79 78.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.836 1.254 . . . . 0.0 113.6 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -65.06 -26.87 68.43 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.406 173.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.72 -42.57 58.09 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 167.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.427 ' CD1' ' HE1' ' B' ' 11' ' ' TYS . 4.4 m-85 -57.35 -28.68 63.35 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 172.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.76 -50.99 64.66 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 120.867 -1.145 . . . . 0.0 113.116 167.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -70.72 -34.98 72.48 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -175.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -68.39 -32.81 73.14 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.914 1.286 . . . . 0.0 113.339 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.43 -22.09 5.93 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 116.447 1.339 . . . . 0.0 116.447 -162.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.1 p -105.69 161.95 13.95 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.515 1.126 . . . . 0.0 112.715 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -64.16 -37.26 86.82 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.856 -0.527 . . . . 0.0 111.383 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -157.48 115.01 3.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.824 1.65 . . . . 0.0 112.903 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -61.73 -31.05 71.19 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.794 1.238 . . . . 0.0 114.2 170.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.8 -13.41 62.1 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -164.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -78.09 -19.25 54.56 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.505 1.048 . . . . 0.0 113.003 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 97.0 m-85 -78.95 150.15 32.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.939 0.896 . . . . 0.0 111.209 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -123.85 -29.43 3.68 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -176.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -151.04 172.24 16.05 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 122.078 0.942 . . . . 0.0 112.64 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -142.57 157.99 44.13 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.119 1.767 . . . . 0.0 111.13 177.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.643 HG11 HD23 ' B' ' 20' ' ' LEU . 10.8 p -139.12 141.99 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.431 1.493 . . . . 0.0 109.306 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.2 mt -128.7 119.82 50.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -164.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -105.87 132.89 51.43 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.419 1.087 . . . . 0.0 108.755 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.2 p -118.58 168.26 10.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.641 0.776 . . . . 0.0 111.178 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.64 171.88 1.41 Allowed 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.681 -0.637 . . . . 0.0 110.389 160.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 56.52 32.74 21.36 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.659 1.183 . . . . 0.0 112.926 -177.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt 63.45 21.69 12.88 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 130.191 3.396 . . . . 0.0 117.538 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.0 152.25 41.87 Favored Glycine 0 CA--C 1.54 1.629 0 N-CA-C 115.746 1.058 . . . . 0.0 115.746 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -142.97 136.74 28.81 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 128.544 2.738 . . . . 0.0 107.286 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -146.03 144.45 30.08 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.95 1.3 . . . . 0.0 109.613 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -134.99 139.29 44.77 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 119.791 1.178 . . . . 0.0 112.965 -178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.0 t -146.46 126.31 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.689 1.196 . . . . 0.0 111.193 -171.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.05 139.12 52.58 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.849 0.86 . . . . 0.0 112.236 169.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.6 mt -93.83 -14.0 26.64 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.328 2.251 . . . . 0.0 112.864 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -66.56 -12.47 57.92 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.379 -0.826 . . . . 0.0 112.762 170.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.8 p -145.69 146.75 30.41 Favored Pre-proline 0 C--O 1.238 0.461 0 C-N-CA 126.274 1.83 . . . . 0.0 110.489 -166.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.71 144.35 99.53 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.74 2.294 . . . . 0.0 110.879 163.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -68.48 131.24 44.93 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.785 0.72 . . . . 0.0 111.756 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.18 163.07 8.66 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -173.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.76 -34.54 53.53 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 -170.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -78.2 -36.0 47.84 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.884 -1.135 . . . . 0.0 111.831 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.22 -26.85 65.01 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.635 1.574 . . . . 0.0 111.746 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -59.32 -29.59 67.75 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.255 1.022 . . . . 0.0 112.733 170.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -127.67 5.99 6.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.727 1.211 . . . . 0.0 114.081 -164.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.8 p -57.88 141.32 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.754 1.222 . . . . 0.0 110.793 168.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -78.16 127.93 33.01 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.628 1.171 . . . . 0.0 111.313 -167.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.83 120.27 23.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.62 0.768 . . . . 0.0 110.953 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.47 -31.74 69.0 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.649 1.579 . . . . 0.0 114.011 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.88 -175.91 39.22 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.913 1.244 . . . . 0.0 111.695 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -57.16 145.25 31.94 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.784 0.834 . . . . 0.0 111.237 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -57.2 116.69 3.42 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 167.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.35 -55.69 3.56 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -154.44 142.05 19.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.078 0.951 . . . . 0.0 110.948 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.2 m -117.32 146.06 43.6 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.808 1.243 . . . . 0.0 109.194 173.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -128.44 148.09 50.7 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.087 1.755 . . . . 0.0 110.971 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -137.67 140.24 40.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.675 1.19 . . . . 0.0 112.03 -168.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.427 ' HE1' HG12 ' A' ' 63' ' ' VAL . 27.7 m-85 -129.13 130.37 46.35 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.083 1.353 . . . . 0.0 110.821 -165.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 16.5 mttt -75.43 162.02 28.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.201 0.6 . . . . 0.0 112.222 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -46.72 108.25 0.13 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.438 1.895 . . . . 0.0 112.168 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.14 23.31 41.4 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.982 1.153 . . . . 0.0 115.982 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -120.69 170.79 9.1 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.202 1.501 . . . . 0.0 112.554 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 p -142.59 -4.45 0.97 Allowed 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -167.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -130.24 135.99 48.72 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.157 1.783 . . . . 0.0 107.866 167.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.7 p -61.85 166.39 4.52 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -168.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.6 t -133.44 -12.79 2.7 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 170.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.46 ' CE2' HD11 ' A' ' 110' ' ' ILE . 72.0 t80 -135.14 141.77 46.03 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.131 1.372 . . . . 0.0 108.484 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.514 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -150.94 154.77 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 126.285 1.834 . . . . 0.0 110.845 -172.476 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.46 HD11 ' CE2' ' A' ' 108' ' ' TYR . 8.1 mt -148.8 141.78 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 123.808 0.843 . . . . 0.0 108.877 -171.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -99.18 158.0 15.98 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.406 1.482 . . . . 0.0 110.543 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.61 -172.22 12.5 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.307 -0.871 . . . . 0.0 114.203 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -79.9 30.87 0.48 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 123.837 3.025 . . . . 0.0 113.518 -174.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.37 156.94 21.53 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 127.185 2.326 . . . . 0.0 110.961 171.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -129.0 -18.21 3.78 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.588 1.555 . . . . 0.0 113.671 -160.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.7 t -157.32 143.61 17.9 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.086 1.355 . . . . 0.0 109.628 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -70.22 -31.25 68.59 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.351 -0.843 . . . . 0.0 111.536 173.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.31 78.69 3.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.998 1.719 . . . . 0.0 112.192 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.273 91.7 m-85 47.33 49.49 15.52 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.952 1.701 . . . . 0.0 115.328 171.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 49.29 17.31 0.19 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 172.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 28.3 t80 . . . . . 0 C--O 1.256 1.397 0 C-N-CA 124.654 1.182 . . . . 0.0 112.483 175.3 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.166 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -146.25 21.3 1.38 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 128.572 2.749 . . . . 0.0 112.419 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -160.7 158.05 24.27 Favored Pre-proline 0 N--CA 1.48 1.051 0 C-N-CA 124.849 1.26 . . . . 0.0 111.581 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.53 174.39 0.06 OUTLIER 'Trans proline' 0 CA--C 1.543 0.956 1 C-N-CA 126.004 4.469 . . . . 0.0 116.345 166.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -79.28 68.3 5.24 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.387 -1.445 . . . . 0.0 113.214 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' TYS . . . . . 0.427 ' HE1' ' CD1' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.71 171.02 0.46 Allowed Glycine 0 CA--C 1.536 1.402 1 CA-C-N 106.189 -5.005 . . . . 0.0 116.08 162.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.514 ' CD2' HG23 ' A' ' 109' ' ' VAL . 50.9 p-80 -149.03 144.87 26.99 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.265 -1.138 . . . . 0.0 113.51 175.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.34 174.7 5.75 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 -160.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -132.81 -24.06 1.97 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.681 1.592 . . . . 0.0 112.981 168.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.61 -6.69 0.52 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 178.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -66.31 -21.54 66.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.039 0.936 . . . . 0.0 111.955 172.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.0 t -47.81 153.85 0.57 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 118.508 2.781 . . . . 0.0 118.508 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.643 HD23 HG11 ' A' ' 63' ' ' VAL . 55.7 tp -104.38 128.98 52.32 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.462 1.905 . . . . 0.0 107.236 160.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 131.37 34.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 126.062 1.745 . . . . 0.0 110.437 160.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 mp -94.37 -29.52 14.96 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.545 -1.207 . . . . 0.0 112.242 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 173.76 -168.59 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 129.871 3.269 . . . . 0.0 106.614 -168.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 5.4 t -150.99 147.56 20.97 Favored Pre-proline 0 C--N 1.322 -0.599 0 C-N-CA 125.528 1.531 . . . . 0.0 108.366 166.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -69.9 -177.86 2.12 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.633 2.222 . . . . 0.0 112.674 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 p -32.69 136.24 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 127.58 2.352 . . . . 0.0 113.761 167.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -86.28 -13.63 46.09 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.377 -0.827 . . . . 0.0 112.847 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -152.54 115.6 4.64 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 127.447 2.299 . . . . 0.0 110.915 -172.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 120.223 -1.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.9 t -164.96 -58.58 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.507 1.123 . . . . 0.0 112.858 165.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.41 16.02 41.45 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 116.864 1.506 . . . . 0.0 116.864 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.5 mt -56.23 119.83 30.43 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 119.181 1.49 . . . . 0.0 111.286 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -78.28 153.68 27.96 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.84 2.36 . . . . 0.0 113.153 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -163.5 25.16 0.08 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.299 1.44 . . . . 0.0 112.27 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.1 p -139.0 154.8 48.3 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.172 0.989 . . . . 0.0 111.486 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -56.83 -31.69 65.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 118.325 -0.845 . . . . 0.0 112.997 173.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.69 -27.62 13.3 Favored Glycine 0 CA--C 1.538 1.498 0 N-CA-C 115.844 1.098 . . . . 0.0 115.844 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -101.01 -45.15 5.5 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.426 1.113 . . . . 0.0 112.469 173.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.74 -42.1 96.67 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.94 -35.66 73.49 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.459 1.027 . . . . 0.0 112.312 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -72.35 -32.0 66.1 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.708 -0.62 . . . . 0.0 111.925 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -73.99 -38.34 64.16 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.604 -0.685 . . . . 0.0 112.528 168.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.04 -34.11 72.84 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.546 1.521 . . . . 0.0 113.418 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -61.52 -36.98 82.06 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.966 0.803 . . . . 0.0 111.122 165.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.29 -46.14 81.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.07 -0.966 . . . . 0.0 111.687 170.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.449 ' HA ' ' HE1' ' B' ' 11' ' ' TYS . 33.1 m-85 -56.13 -31.65 63.51 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 120.445 1.475 . . . . 0.0 114.256 173.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mt -67.45 -51.01 56.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 119.77 1.168 . . . . 0.0 112.921 171.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -69.01 -35.37 76.6 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -82.73 -17.83 42.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.413 2.285 . . . . 0.0 113.347 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.89 0.94 8.48 Favored Glycine 0 CA--C 1.533 1.205 0 N-CA-C 116.477 1.351 . . . . 0.0 116.477 -172.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -125.83 166.52 16.7 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.513 1.657 . . . . 0.0 113.385 170.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -74.72 -34.49 62.58 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.284 1.034 . . . . 0.0 111.987 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -151.88 117.61 5.42 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.291 1.836 . . . . 0.0 111.045 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.3 p -83.54 -14.95 51.07 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.44 62.65 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -172.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -75.53 -18.92 59.65 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.732 1.213 . . . . 0.0 112.903 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -82.62 150.93 26.56 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.995 0.918 . . . . 0.0 112.096 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -132.55 -34.71 1.17 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.019 0.928 . . . . 0.0 112.556 -166.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -151.26 175.67 11.97 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.801 0.81 . . . . 0.0 112.266 171.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -147.24 164.9 31.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.827 -1.533 . . . . 0.0 112.669 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.647 HG11 HD23 ' B' ' 20' ' ' LEU . 14.3 p -141.91 144.33 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 125.577 1.551 . . . . 0.0 109.403 174.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.4 mt -129.77 127.8 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 125.418 1.487 . . . . 0.0 107.834 -162.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.3 mt -111.71 123.86 51.12 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.354 1.062 . . . . 0.0 108.411 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.8 p -112.02 167.83 10.08 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 122.034 0.921 . . . . 0.0 111.763 -174.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -50.0 154.63 1.08 Allowed 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.621 160.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 56.25 36.67 27.86 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.975 1.31 . . . . 0.0 114.37 -175.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt 55.74 29.33 13.64 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.57 2.348 . . . . 0.0 115.674 172.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.29 147.95 46.61 Favored Glycine 0 CA--C 1.535 1.307 0 O-C-N 121.317 -0.864 . . . . 0.0 112.971 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -142.39 125.2 16.02 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.571 2.349 . . . . 0.0 108.075 177.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -144.81 144.13 30.99 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.009 1.324 . . . . 0.0 110.405 -173.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.0 t -135.16 140.42 45.37 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.521 1.055 . . . . 0.0 111.963 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.3 t -143.73 145.89 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.445 1.498 . . . . 0.0 108.625 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -91.58 142.74 27.31 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 122.18 0.991 . . . . 0.0 111.486 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.3 mt -87.6 -12.33 45.96 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.289 1.435 . . . . 0.0 111.633 176.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -56.39 -27.71 57.09 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.393 1.477 . . . . 0.0 114.111 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -148.87 163.03 27.44 Favored Pre-proline 0 C--O 1.239 0.546 0 C-N-CA 126.914 2.085 . . . . 0.0 108.687 -169.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -67.76 148.99 78.35 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.942 2.428 . . . . 0.0 110.255 160.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.16 153.18 44.26 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.5 159.53 34.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.416 1.086 . . . . 0.0 113.517 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -51.84 -31.79 29.14 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.799 1.239 . . . . 0.0 114.222 173.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.57 -10.68 59.17 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.365 1.466 . . . . 0.0 113.115 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -120.82 -23.89 5.82 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.786 2.034 . . . . 0.0 112.052 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -56.85 -29.11 62.55 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.731 -1.231 . . . . 0.0 113.207 169.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -122.81 9.43 9.46 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.196 1.398 . . . . 0.0 113.619 -170.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.1 p -70.7 131.11 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.296 0.953 . . . . 0.0 110.572 174.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.0 mp0 -78.03 119.87 22.06 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.659 -0.651 . . . . 0.0 111.686 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.38 137.38 56.84 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.255 1.422 . . . . 0.0 111.67 171.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.38 -23.54 65.59 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.956 1.303 . . . . 0.0 114.134 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.16 -174.08 40.72 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.007 1.289 . . . . 0.0 112.599 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -57.8 145.6 34.43 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.288 1.035 . . . . 0.0 111.804 171.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -55.36 131.54 45.98 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.398 0.679 . . . . 0.0 109.591 166.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -123.96 -34.57 2.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 119.134 -0.46 . . . . 0.0 112.134 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -137.93 153.46 49.5 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.476 1.11 . . . . 0.0 110.561 166.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.3 m -136.47 144.8 44.56 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.218 1.007 . . . . 0.0 109.225 161.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CD2' ' CG1' ' A' ' 109' ' ' VAL . 59.4 m-85 -125.6 137.48 53.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.467 1.907 . . . . 0.0 109.682 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -131.52 144.37 51.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.848 1.259 . . . . 0.0 112.32 -169.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -130.52 132.52 45.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.512 1.525 . . . . 0.0 110.191 -166.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.33 163.98 26.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.764 0.711 . . . . 0.0 111.413 173.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -50.52 106.77 0.13 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.406 1.083 . . . . 0.0 113.127 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.81 -11.05 34.99 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.927 1.727 . . . . 0.0 115.721 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -91.77 157.25 17.01 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.907 1.854 . . . . 0.0 114.897 -167.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.2 m -137.09 23.18 3.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.2 2.2 . . . . 0.0 113.014 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -148.04 140.07 24.08 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.067 1.747 . . . . 0.0 107.575 160.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.6 p -64.28 165.06 10.05 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.8 t -131.73 -10.24 3.52 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.996 1.319 . . . . 0.0 112.725 165.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -140.22 138.63 35.25 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.982 1.313 . . . . 0.0 109.101 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.488 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -154.63 155.4 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.77 1.628 . . . . 0.0 112.585 -167.506 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -151.6 137.37 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.407 0.683 . . . . 0.0 109.379 -167.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -91.85 149.27 21.66 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.139 1.376 . . . . 0.0 110.374 172.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.35 177.95 18.16 Favored Glycine 0 N--CA 1.478 1.471 0 CA-C-O 118.913 -0.937 . . . . 0.0 115.289 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.55 26.34 0.39 Allowed 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 125.198 3.932 . . . . 0.0 116.117 -169.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.86 -165.62 41.45 Favored Glycine 0 CA--C 1.539 1.563 0 N-CA-C 108.352 -1.899 . . . . 0.0 108.352 160.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -138.39 -18.41 1.12 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.848 1.259 . . . . 0.0 112.932 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -166.02 172.98 10.85 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 128.268 2.627 . . . . 0.0 107.977 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -87.42 -31.49 20.03 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.946 -1.096 . . . . 0.0 111.73 161.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -84.16 73.93 10.35 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.075 1.35 . . . . 0.0 112.021 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 50.96 65.64 1.41 Allowed 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 163.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 45.77 23.42 0.16 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 119.249 3.055 . . . . 0.0 119.249 172.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.251 1.146 0 O-C-N 120.816 -1.178 . . . . 0.0 113.388 -178.262 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.7 t -152.67 10.37 0.48 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 116.181 1.919 . . . . 0.0 116.181 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -127.07 -47.62 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.166 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -169.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.46 177.68 0.4 Allowed 'Trans proline' 0 CA--C 1.548 1.224 0 C-N-CA 123.256 2.637 . . . . 0.0 118.145 -170.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -63.94 -50.54 68.26 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 124.022 1.868 . . . . 0.0 116.035 -171.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' TYS . . . . . 0.449 ' HE1' ' HA ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.09 170.94 0.01 OUTLIER Glycine 0 CA--C 1.536 1.349 1 CA-C-N 107.069 -4.605 . . . . 0.0 119.09 160.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.488 ' CD2' HG23 ' A' ' 109' ' ' VAL . 48.2 p-80 -149.38 150.97 33.28 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.757 1.223 . . . . 0.0 111.488 167.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.52 162.8 30.91 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.895 1.278 . . . . 0.0 113.667 -170.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -140.37 13.4 2.37 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.163 1.385 . . . . 0.0 112.887 170.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -168.6 -24.63 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.165 1.786 . . . . 0.0 114.148 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.64 -24.35 63.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.247 1.019 . . . . 0.0 113.405 172.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -41.95 157.24 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 131.424 3.89 . . . . 0.0 121.026 -174.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.647 HD23 HG11 ' A' ' 63' ' ' VAL . 39.2 tp -102.11 127.0 49.21 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 126.765 2.026 . . . . 0.0 107.858 160.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -91.79 113.8 26.16 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.719 2.408 . . . . 0.0 111.198 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 mp -87.33 -20.39 26.85 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.204 2.201 . . . . 0.0 112.52 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -74.89 171.2 14.46 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.373 1.469 . . . . 0.0 112.0 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.451 ' H ' ' HD2' ' B' ' 25' ' ' PRO . 0.2 OUTLIER -161.18 -51.25 0.01 OUTLIER Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 126.022 1.729 . . . . 0.0 114.061 -176.006 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.451 ' HD2' ' H ' ' B' ' 24' ' ' THR . 72.4 Cg_endo -74.28 148.38 38.72 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.298 1.999 . . . . 0.0 112.004 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.32 134.72 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.785 1.234 . . . . 0.0 109.91 172.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -64.03 -29.52 70.66 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -169.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -139.98 133.95 30.8 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.79 2.036 . . . . 0.0 110.349 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 121.196 -0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 118.68 -0.676 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -152.76 -12.63 0.17 Allowed 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.331 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.86 -168.78 29.99 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 116.343 1.297 . . . . 0.0 116.343 166.378 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.7 mt -131.26 149.97 75.17 Favored Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 128.263 2.625 . . . . 0.0 108.501 170.302 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -75.72 127.85 10.5 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.493 1.462 . . . . 0.0 113.263 -165.591 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -140.46 26.15 2.17 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.02 1.728 . . . . 0.0 110.173 161.301 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.0 p -136.7 143.91 43.62 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.752 -1.218 . . . . 0.0 111.538 176.024 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.16 -34.68 78.96 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -167.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.25 -44.03 89.28 Favored Glycine 0 N--CA 1.471 0.971 0 CA-C-N 120.219 1.372 . . . . 0.0 114.81 175.57 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -67.56 -37.93 83.39 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.858 0.863 . . . . 0.0 111.149 176.15 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.75 -41.97 91.51 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.77 -37.67 79.7 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.561 1.144 . . . . 0.0 112.448 174.504 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -67.99 -39.54 83.24 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.257 1.023 . . . . 0.0 111.469 176.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -65.16 -51.3 61.99 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.179 0.992 . . . . 0.0 112.296 170.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 mt -67.64 -33.47 75.03 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -175.217 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -62.8 -32.22 73.36 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.657 1.117 . . . . 0.0 111.169 169.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -74.48 -38.76 62.81 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 171.071 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.444 ' HA ' ' CE1' ' B' ' 11' ' ' TYS . 2.4 m-85 -64.37 -30.13 71.18 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.628 1.104 . . . . 0.0 113.639 172.064 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -49.77 76.21 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.742 -1.224 . . . . 0.0 112.826 173.38 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.19 -46.39 90.67 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.327 0.651 . . . . 0.0 112.292 178.187 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -76.87 -18.25 58.46 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.16 -6.56 27.69 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 118.756 0.707 . . . . 0.0 114.01 -171.175 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.7 p -115.98 174.64 5.93 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -79.96 -40.62 27.64 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.894 0.878 . . . . 0.0 110.188 172.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.5 157.62 44.3 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.796 2.438 . . . . 0.0 109.729 168.627 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.9 t -126.21 -9.28 6.45 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -175.376 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.09 -26.35 66.68 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -177.698 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.7 pm0 -83.45 -9.8 58.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.89 2.076 . . . . 0.0 113.127 -171.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 70.3 m-85 -74.33 155.34 38.29 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.66 1.184 . . . . 0.0 113.038 179.291 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -126.97 -39.92 1.91 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.139 1.376 . . . . 0.0 111.716 -170.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -156.43 175.1 14.47 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.735 1.214 . . . . 0.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -147.68 160.94 42.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.969 -1.469 . . . . 0.0 113.566 177.076 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.2 t -139.14 140.9 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 126.445 1.898 . . . . 0.0 109.97 176.646 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.81 138.62 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 126.028 1.731 . . . . 0.0 108.688 177.409 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.1 mt -119.92 118.81 31.7 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.591 1.156 . . . . 0.0 108.698 169.409 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.9 p -102.48 174.14 6.03 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.754 0.822 . . . . 0.0 112.12 -175.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.34 163.85 0.37 Allowed 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.451 -0.781 . . . . 0.0 110.343 160.299 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 60.34 32.21 20.63 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.398 1.079 . . . . 0.0 112.823 174.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt 52.0 27.51 4.49 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 129.5 3.12 . . . . 0.0 116.156 179.423 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.2 145.91 49.97 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.592 -0.693 . . . . 0.0 113.4 172.223 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -137.1 132.65 34.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 127.516 2.326 . . . . 0.0 108.667 173.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -143.52 144.06 31.81 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.527 1.131 . . . . 0.0 110.493 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 t -135.92 143.07 44.76 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.605 0.762 . . . . 0.0 112.571 177.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.9 t -143.1 135.39 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.865 1.266 . . . . 0.0 108.459 175.538 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -76.36 153.07 36.1 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.16 0.981 . . . . 0.0 111.239 170.07 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -109.54 -15.35 14.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.656 1.982 . . . . 0.0 112.025 -178.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -58.56 -15.52 11.69 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 163.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.2 p -148.15 157.5 42.73 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.967 1.707 . . . . 0.0 110.752 -176.374 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -63.25 152.98 77.08 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.713 2.942 . . . . 0.0 112.881 162.208 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -61.2 151.89 30.25 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.31 156.9 35.1 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 174.44 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -55.52 -35.63 65.84 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 -166.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -84.79 -25.41 28.2 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 120.774 1.625 . . . . 0.0 112.718 -174.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.2 mtt85 -62.1 -20.73 64.34 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.372 1.069 . . . . 0.0 111.816 168.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -65.14 -27.74 68.93 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.4 -0.813 . . . . 0.0 112.896 176.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -121.85 -7.38 9.0 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -167.304 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.32 126.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 119.035 0.834 . . . . 0.0 111.317 -178.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.61 125.94 28.22 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.392 1.077 . . . . 0.0 111.285 177.324 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.39 132.06 44.27 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.423 1.489 . . . . 0.0 111.46 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.52 -25.89 66.45 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.021 1.328 . . . . 0.0 113.815 178.001 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.55 -174.95 38.33 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.777 1.18 . . . . 0.0 113.817 177.676 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -68.66 154.38 42.03 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.241 1.416 . . . . 0.0 113.435 176.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.4 ttp -72.15 68.05 0.7 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.837 2.055 . . . . 0.0 114.901 -173.483 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -55.15 -44.3 75.0 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.618 -1.302 . . . . 0.0 113.823 178.404 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -157.44 153.4 27.1 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.126 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.0 m -137.45 151.01 48.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.362 1.465 . . . . 0.0 110.435 176.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -136.55 140.19 42.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.401 2.28 . . . . 0.0 110.36 -169.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -140.52 150.23 43.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.493 1.117 . . . . 0.0 112.784 -170.713 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CZ ' HD13 ' B' ' 22' ' ' LEU . 14.8 m-85 -139.63 131.55 27.72 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.681 1.193 . . . . 0.0 109.544 -164.481 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -70.87 169.62 14.33 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 118.947 0.794 . . . . 0.0 112.818 171.915 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.45 40.73 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 130.046 3.338 . . . . 0.0 114.555 174.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.87 30.31 0.02 OUTLIER Glycine 0 CA--C 1.536 1.359 0 C-N-CA 127.48 2.467 . . . . 0.0 113.192 -165.448 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -141.73 151.05 42.58 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.964 1.306 . . . . 0.0 112.513 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.9 p -136.25 9.28 3.21 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.626 1.171 . . . . 0.0 113.173 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -129.55 125.41 36.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.976 1.311 . . . . 0.0 108.425 163.293 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.5 p -62.7 115.16 4.06 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -164.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.3 p -72.03 -25.57 61.86 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 169.268 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -125.66 141.75 51.86 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.574 1.15 . . . . 0.0 110.069 -176.262 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.414 HG23 ' NE2' ' B' ' 13' ' ' HIS . 3.9 m -146.03 161.79 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 126.213 1.805 . . . . 0.0 111.564 -175.684 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.5 mt -143.38 130.14 17.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 176.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -96.72 147.62 23.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.416 0.686 . . . . 0.0 109.343 176.273 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.77 -174.17 25.28 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 121.79 -0.569 . . . . 0.0 114.512 -171.368 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -67.55 122.97 10.23 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.003 2.468 . . . . 0.0 111.623 -175.04 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.28 -26.59 0.42 Allowed Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.427 1.489 . . . . 0.0 114.478 174.298 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? 59.4 -19.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 128.8 2.84 . . . . 0.0 117.688 178.465 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -166.72 154.31 9.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.963 1.256 . . . . 0.0 110.653 177.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -77.83 -29.44 50.56 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.986 -0.446 . . . . 0.0 111.835 167.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -76.48 84.5 3.19 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.25 1.02 . . . . 0.0 111.942 176.194 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 45.33 52.7 8.68 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.907 1.683 . . . . 0.0 115.443 161.562 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 47.85 31.07 2.12 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 118.422 2.749 . . . . 0.0 118.422 174.302 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--O 1.253 1.28 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 178.186 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.5 t -157.74 170.63 21.94 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.493 ' H ' ' CD ' ' B' ' 9' ' ' PRO . 9.8 t -165.98 -32.84 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.396 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 -178.754 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.493 ' CD ' ' H ' ' B' ' 8' ' ' THR . 15.7 Cg_endo -90.39 179.49 1.88 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 123.316 2.677 . . . . 0.0 112.552 -173.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -70.63 122.62 20.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.245 -0.909 . . . . 0.0 108.843 166.298 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' TYS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.79 166.48 32.74 Favored Glycine 0 N--CA 1.439 -1.137 0 CA-C-N 113.624 -1.626 . . . . 0.0 116.143 167.712 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.414 ' NE2' HG23 ' A' ' 109' ' ' VAL . 44.8 p-80 -155.3 154.55 32.27 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.861 1.264 . . . . 0.0 112.768 174.054 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 14' ' ' TYS . . . . . 0.487 ' H ' ' HD1' ' B' ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.57 166.74 29.34 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.833 -1.167 . . . . 0.0 111.648 -169.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -134.38 2.32 3.25 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.214 1.405 . . . . 0.0 114.313 -174.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -138.37 -39.94 0.52 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.871 1.268 . . . . 0.0 112.81 -170.186 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.01 12.16 16.28 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.801 1.64 . . . . 0.0 112.223 177.111 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -62.04 157.77 18.07 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.866 2.066 . . . . 0.0 114.337 172.422 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.3 tp -102.69 127.44 49.81 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.155 1.782 . . . . 0.0 108.934 164.299 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -91.14 105.93 18.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.796 2.039 . . . . 0.0 112.102 172.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 5.2 mp -79.25 -28.26 42.43 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.928 1.691 . . . . 0.0 114.582 -176.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -54.17 117.98 3.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.671 1.188 . . . . 0.0 111.542 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.637 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 13.4 t -156.23 -21.83 0.0 OUTLIER Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -166.134 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.637 ' CD ' ' H ' ' B' ' 24' ' ' THR . 68.1 Cg_endo -74.17 131.36 15.24 Favored 'Trans proline' 0 C--N 1.356 0.97 0 CA-C-N 123.309 2.217 . . . . 0.0 111.171 -175.353 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 p -142.1 35.07 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.289 1.436 . . . . 0.0 111.523 -169.081 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -145.42 -51.0 0.25 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.108 1.363 . . . . 0.0 113.708 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -142.87 76.98 1.55 Allowed 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 123.262 1.506 . . . . 0.0 110.825 -178.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 120.459 -1.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 t -141.37 16.86 2.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.269 1.028 . . . . 0.0 113.4 -166.254 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.29 156.36 27.88 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 125.437 1.494 . . . . 0.0 112.054 -173.17 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -144.02 151.73 53.14 Favored Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 125.315 1.446 . . . . 0.0 110.298 177.68 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -75.5 176.73 9.59 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.908 3.072 . . . . 0.0 113.461 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.0 p -144.59 -8.07 0.66 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.936 1.694 . . . . 0.0 115.077 -176.492 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.1 p -129.54 151.86 49.69 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.683 1.583 . . . . 0.0 113.979 -173.355 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -30.92 68.79 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.658 -174.772 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.52 -41.45 64.18 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 121.142 -0.974 . . . . 0.0 114.161 176.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -76.39 -37.94 56.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.777 0.831 . . . . 0.0 112.145 175.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.8 tp -68.95 -42.7 76.34 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 179.182 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.15 -41.94 76.2 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.648 1.179 . . . . 0.0 112.067 172.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.02 -40.4 97.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.734 0.414 . . . . 0.0 111.32 175.308 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -66.15 -43.45 87.0 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.194 -0.942 . . . . 0.0 112.629 172.734 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.0 mt -69.46 -33.79 73.44 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.003 -1.061 . . . . 0.0 113.197 -178.544 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -67.29 -35.32 79.23 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.137 0.88 . . . . 0.0 111.124 169.628 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -64.21 -47.11 80.99 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.456 0.571 . . . . 0.0 111.654 169.05 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -57.36 -35.16 69.59 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 174.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.92 -49.74 69.24 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.024 1.284 . . . . 0.0 112.61 174.833 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -67.8 -40.85 83.86 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.215 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -65.17 -41.43 94.65 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 171.002 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.42 -12.23 39.24 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 116.27 1.268 . . . . 0.0 116.27 -160.29 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.5 p -118.76 154.39 32.87 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.948 1.374 . . . . 0.0 112.008 177.19 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -71.53 -30.52 66.01 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.233 1.013 . . . . 0.0 112.219 177.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -148.97 111.22 4.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.035 1.734 . . . . 0.0 112.073 167.13 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.3 p -71.32 -17.36 62.45 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 175.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.35 -7.51 53.11 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -169.337 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -83.86 -17.28 41.42 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.646 1.178 . . . . 0.0 114.063 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.3 m-85 -80.18 154.75 27.78 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.589 0.756 . . . . 0.0 112.628 -174.549 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -122.61 -28.55 4.19 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -157.88 171.28 20.57 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.687 1.595 . . . . 0.0 111.964 177.251 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -145.74 158.37 43.86 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.733 2.013 . . . . 0.0 111.348 175.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.622 HG11 HD23 ' B' ' 20' ' ' LEU . 13.7 p -142.95 138.68 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.104 1.362 . . . . 0.0 109.798 -178.876 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.1 mt -126.01 128.84 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.686 1.594 . . . . 0.0 108.335 -160.167 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -118.29 118.22 31.21 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.564 1.146 . . . . 0.0 109.617 178.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.6 p -107.97 176.52 5.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.878 0.871 . . . . 0.0 111.934 -175.713 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.27 172.62 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.092 -1.005 . . . . 0.0 111.379 160.033 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 53.11 31.82 11.99 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.114 1.366 . . . . 0.0 113.504 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 61.3 24.48 14.58 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.694 1.998 . . . . 0.0 113.327 174.374 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.14 143.13 44.19 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 121.376 -0.827 . . . . 0.0 113.147 175.139 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -143.77 128.83 18.6 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.797 2.439 . . . . 0.0 107.448 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -144.97 143.52 30.57 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.817 1.247 . . . . 0.0 110.195 -177.616 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.6 t -128.91 140.1 51.83 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.918 0.887 . . . . 0.0 111.613 -177.377 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.1 t -143.05 127.8 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.85 1.66 . . . . 0.0 110.404 -172.674 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -77.73 142.8 38.51 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.061 0.934 . . . . 0.0 111.713 170.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.2 mt -107.57 -11.65 15.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.453 1.901 . . . . 0.0 112.69 -178.604 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -66.15 -6.38 13.2 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.124 0.875 . . . . 0.0 113.036 167.246 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.5 p -146.52 154.19 48.39 Favored Pre-proline 0 CA--C 1.541 0.617 0 C-N-CA 127.545 2.338 . . . . 0.0 110.154 -174.132 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -66.53 155.55 69.68 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.761 2.974 . . . . 0.0 112.844 165.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.76 155.87 34.84 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.881 0.872 . . . . 0.0 111.929 168.708 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.17 161.75 29.38 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.285 1.434 . . . . 0.0 111.19 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.18 -40.46 61.53 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 -163.173 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -71.28 -12.86 61.67 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.944 -1.097 . . . . 0.0 113.177 -178.355 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -106.23 -31.11 8.8 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.833 2.453 . . . . 0.0 111.096 174.217 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.24 -45.03 93.48 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.526 1.13 . . . . 0.0 111.438 172.023 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.3 4.33 10.93 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.266 1.426 . . . . 0.0 114.345 -174.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.32 117.06 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.244 1.418 . . . . 0.0 110.932 -176.671 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -67.53 124.92 24.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.493 1.117 . . . . 0.0 111.037 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.17 124.4 28.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.754 1.621 . . . . 0.0 111.313 179.234 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.18 -22.59 66.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.058 1.743 . . . . 0.0 114.87 179.038 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.17 -170.64 37.02 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.339 0.971 . . . . 0.0 115.521 175.497 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.67 152.47 22.42 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.346 1.858 . . . . 0.0 113.04 173.041 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 22.0 ttp -74.23 62.73 0.96 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.465 2.706 . . . . 0.0 114.073 -171.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -60.82 -40.0 91.1 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.698 -1.251 . . . . 0.0 114.026 -173.354 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -153.46 146.57 24.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.453 0.701 . . . . 0.0 112.1 -176.064 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 m -138.6 146.02 41.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.921 1.288 . . . . 0.0 110.372 167.716 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -123.78 145.05 49.32 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.57 1.948 . . . . 0.0 111.707 179.078 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -137.4 145.1 42.81 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.719 1.608 . . . . 0.0 112.613 -172.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.409 ' HE1' HG12 ' A' ' 63' ' ' VAL . 15.5 m-85 -133.28 134.97 44.59 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.54 1.536 . . . . 0.0 110.593 -165.008 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -76.49 158.26 31.43 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.455 1.025 . . . . 0.0 111.822 176.865 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -46.72 112.93 0.57 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.468 1.507 . . . . 0.0 111.485 174.458 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.63 -8.37 61.82 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.307 1.432 . . . . 0.0 116.123 179.079 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -89.72 176.3 6.91 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.322 1.561 . . . . 0.0 112.839 -177.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.0 p -148.8 13.05 0.9 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 171.043 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -131.42 138.37 49.05 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.324 -1.485 . . . . 0.0 108.132 164.673 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 p -63.82 160.63 16.97 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -169.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 t -130.98 -22.82 2.54 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.37 1.468 . . . . 0.0 112.633 174.36 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -124.68 144.0 50.45 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.338 1.055 . . . . 0.0 108.692 176.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' B' ' 13' ' ' HIS . 2.1 m -149.02 153.63 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 125.611 1.564 . . . . 0.0 111.519 -172.747 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -142.71 134.02 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -109.16 151.11 26.9 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.197 0.999 . . . . 0.0 109.363 -175.014 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.81 -167.86 21.0 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.383 -0.823 . . . . 0.0 114.682 -177.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.6 144.4 89.75 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 122.353 2.035 . . . . 0.0 110.583 -177.645 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.0 -26.58 1.01 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.685 2.088 . . . . 0.0 113.45 170.506 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 60.27 -22.55 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 129.971 3.309 . . . . 0.0 116.76 -174.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.1 t -165.64 152.03 9.73 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.714 1.606 . . . . 0.0 109.49 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -75.58 -27.37 58.53 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.834 -0.542 . . . . 0.0 112.39 165.426 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -81.38 28.85 0.37 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.605 1.962 . . . . 0.0 114.159 -166.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 66.2 t80 61.47 137.06 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.159 2.584 . . . . 0.0 114.218 -168.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.68 52.02 2.28 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -163.206 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 61.4 t80 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.786 1.235 . . . . 0.0 113.262 175.959 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.3 t -150.0 153.53 36.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.054 1.342 . . . . 0.0 112.294 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.541 ' H ' ' CD ' ' B' ' 9' ' ' PRO . 3.6 t -145.4 -22.32 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.953 0 N-CA-C 118.213 2.672 . . . . 0.0 118.213 175.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.541 ' CD ' ' H ' ' B' ' 8' ' ' THR . 56.3 Cg_endo -82.3 74.2 5.26 Favored 'Trans proline' 0 C--N 1.353 0.792 0 CA-C-N 124.229 2.546 . . . . 0.0 113.931 -168.112 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -139.62 71.46 1.38 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.92 2.088 . . . . 0.0 107.943 168.381 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.81 166.36 1.83 Allowed Glycine 0 N--CA 1.434 -1.496 1 CA-C-N 105.062 -5.517 . . . . 0.0 114.162 160.14 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.48 ' CD2' HG23 ' A' ' 109' ' ' VAL . 34.9 p-80 -158.73 154.15 25.83 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.944 0.878 . . . . 0.0 110.529 169.545 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -148.31 164.11 35.01 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 119.726 -1.859 . . . . 0.0 108.742 -173.17 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -136.99 -21.37 1.22 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.941 1.296 . . . . 0.0 112.464 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -80.57 -49.35 11.42 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 125.229 1.412 . . . . 0.0 111.965 -179.33 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.42 -13.6 61.1 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -176.12 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -45.39 147.8 0.75 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 -168.285 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.622 HD23 HG11 ' A' ' 63' ' ' VAL . 45.7 tp -93.93 129.05 40.52 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 164.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -99.39 102.89 14.62 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.959 2.103 . . . . 0.0 111.268 176.631 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -76.1 22.77 0.15 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.304 2.641 . . . . 0.0 113.643 177.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -135.97 138.69 42.55 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.319 1.448 . . . . 0.0 110.899 -173.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.583 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 10.0 p -143.85 -28.38 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 118.014 2.598 . . . . 0.0 118.014 -167.076 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.583 ' CD ' ' H ' ' B' ' 24' ' ' THR . 79.2 Cg_endo -84.0 154.63 13.05 Favored 'Trans proline' 0 C--N 1.352 0.736 0 CA-C-N 122.843 2.051 . . . . 0.0 113.924 -170.067 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.58 147.09 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.873 1.269 . . . . 0.0 111.888 -174.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -63.28 -37.2 86.32 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.355 1.062 . . . . 0.0 113.339 -176.528 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -158.91 149.71 20.0 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.112 2.165 . . . . 0.0 109.953 165.351 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 120.976 -1.077 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 118.966 -0.54 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 t -158.28 -36.73 0.07 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 170.523 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.02 132.58 2.75 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.349 0.976 . . . . 0.0 112.897 176.768 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.0 mt -143.11 88.5 8.19 Favored Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 126.649 1.979 . . . . 0.0 106.95 177.006 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.9 122.45 8.15 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.086 1.857 . . . . 0.0 111.843 -158.592 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.6 t -129.9 20.95 5.43 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.709 1.604 . . . . 0.0 111.075 173.569 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -133.57 141.41 47.69 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.096 0.958 . . . . 0.0 111.298 175.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -34.48 70.4 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.266 0.627 . . . . 0.0 112.336 -176.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.89 -35.64 40.26 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-O 118.83 -0.983 . . . . 0.0 115.418 175.395 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -84.75 -31.12 24.16 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.863 1.331 . . . . 0.0 112.786 175.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.9 tp -70.62 -42.17 71.27 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.259 0.623 . . . . 0.0 111.929 176.685 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.42 -41.23 79.99 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.331 1.452 . . . . 0.0 112.293 176.163 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -60.88 -35.96 77.97 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.012 0.925 . . . . 0.0 111.496 175.573 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -50.18 29.67 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 123.077 0.551 . . . . 0.0 111.628 172.119 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.62 -37.57 86.83 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.556 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -67.97 -27.76 66.86 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.146 -0.971 . . . . 0.0 112.202 174.064 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -75.97 -38.42 57.52 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 167.043 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -59.18 -36.88 76.11 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.388 -0.82 . . . . 0.0 112.108 175.341 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.1 mt -55.87 -39.47 71.56 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 171.478 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -71.82 -45.98 59.67 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.466 1.03 . . . . 0.0 112.126 178.54 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -63.17 -23.46 67.45 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.177 1.391 . . . . 0.0 114.634 171.042 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' HA3' ' HA3' ' B' ' 12' ' ' GLY . . . -116.62 -13.68 7.89 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 115.71 1.044 . . . . 0.0 115.71 -160.866 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.4 p -130.08 164.14 25.03 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.999 1.4 . . . . 0.0 112.647 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -65.58 -43.38 89.91 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.999 -0.438 . . . . 0.0 111.105 167.097 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -155.13 105.79 2.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.946 1.298 . . . . 0.0 112.99 -171.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 t -61.9 -24.63 67.07 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 176.196 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.11 -5.32 17.17 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -167.772 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -85.49 -19.34 31.37 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.799 -1.188 . . . . 0.0 113.562 174.043 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 94.2 m-85 -84.08 146.4 27.94 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.014 0.825 . . . . 0.0 112.185 -174.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -124.27 -24.19 4.36 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -153.3 172.75 16.55 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 167.202 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -145.43 161.02 40.69 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 127.118 2.167 . . . . 0.0 112.015 177.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.675 HG11 HD23 ' B' ' 20' ' ' LEU . 12.2 p -141.53 121.51 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 124.914 1.286 . . . . 0.0 111.449 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.69 133.65 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.3 1.44 . . . . 0.0 109.063 -178.081 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.12 122.14 42.33 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.846 1.258 . . . . 0.0 109.994 173.175 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.0 p -111.41 174.45 5.86 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.057 0.943 . . . . 0.0 112.789 -172.129 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -52.41 166.07 0.21 Allowed 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.252 -0.905 . . . . 0.0 110.614 160.292 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.81 36.29 26.12 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.518 1.127 . . . . 0.0 113.078 178.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt 60.87 20.21 10.46 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.824 2.049 . . . . 0.0 114.374 171.676 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.02 142.67 45.28 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 121.552 -0.717 . . . . 0.0 112.861 175.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -145.55 126.96 14.95 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.663 2.385 . . . . 0.0 107.284 -178.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -144.03 111.99 6.23 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.748 0.819 . . . . 0.0 111.477 -172.077 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 t -92.85 139.84 30.13 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.787 0.721 . . . . 0.0 111.482 175.381 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.2 t -145.88 134.26 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.152 1.781 . . . . 0.0 109.668 -177.767 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -85.82 148.12 25.98 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.82 1.295 . . . . 0.0 111.665 178.136 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.2 mt -109.54 -4.12 16.47 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.331 1.853 . . . . 0.0 113.16 -174.568 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -65.65 -28.5 69.14 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.365 0.666 . . . . 0.0 112.432 170.602 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.3 p -146.01 151.47 45.21 Favored Pre-proline 0 N--CA 1.472 0.637 0 C-N-CA 125.488 1.515 . . . . 0.0 109.988 -179.808 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.67 134.03 60.35 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.524 2.816 . . . . 0.0 112.491 168.21 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -63.67 153.47 36.03 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -164.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.96 156.28 31.73 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.404 1.481 . . . . 0.0 114.811 -177.002 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -56.9 -36.3 69.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -174.646 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -37.71 78.8 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.56 1.073 . . . . 0.0 110.819 176.923 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -73.98 -31.12 62.84 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.644 1.178 . . . . 0.0 111.913 176.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -59.71 -22.17 61.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.181 -0.95 . . . . 0.0 112.883 168.248 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -124.12 17.73 9.19 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.632 1.573 . . . . 0.0 112.925 -171.007 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.05 136.79 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-N 119.061 0.846 . . . . 0.0 109.078 169.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -86.63 150.76 23.98 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.621 0.724 . . . . 0.0 111.964 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.4 mt -94.73 122.55 37.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.437 1.495 . . . . 0.0 110.744 -173.147 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -60.79 -23.77 65.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.101 1.36 . . . . 0.0 113.846 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.51 -172.75 37.18 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.569 1.08 . . . . 0.0 113.667 175.561 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -67.74 155.62 38.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.127 1.371 . . . . 0.0 113.628 177.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.8 ttp -74.37 67.94 1.48 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 127.162 2.185 . . . . 0.0 114.296 -171.621 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.29 -41.63 80.14 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.675 -1.265 . . . . 0.0 113.947 178.384 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -157.89 157.98 34.2 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.2 m -141.07 146.7 37.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.415 1.486 . . . . 0.0 110.542 169.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.55 146.03 49.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.255 1.822 . . . . 0.0 111.256 179.129 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -133.69 151.32 51.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.771 1.228 . . . . 0.0 112.901 -171.605 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -136.68 129.1 30.14 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.026 0.93 . . . . 0.0 110.974 -166.021 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -73.39 165.1 25.69 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 179.056 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -60.26 54.48 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 129.067 2.947 . . . . 0.0 116.663 178.638 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 151.17 24.52 0.05 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.237 1.875 . . . . 0.0 113.564 -177.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -141.45 154.26 45.47 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.317 1.559 . . . . 0.0 111.821 -171.171 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.9 m -142.92 12.93 1.86 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -173.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -125.92 131.16 52.37 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 159.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.8 t -63.09 155.5 27.69 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -172.513 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.0 m -131.14 0.99 4.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.275 1.83 . . . . 0.0 112.732 168.207 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -143.76 132.79 22.87 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.917 1.287 . . . . 0.0 109.642 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 ' NE2' ' B' ' 13' ' ' HIS . 1.7 m -146.85 162.11 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 125.432 1.493 . . . . 0.0 111.734 -168.728 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 36.3 mt -143.88 130.44 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 126.053 1.741 . . . . 0.0 106.332 -172.682 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -111.45 153.36 26.24 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.502 0.592 . . . . 0.0 109.479 177.315 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.04 -167.48 18.23 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 114.154 0.422 . . . . 0.0 114.154 -176.605 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.79 136.35 25.23 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.953 2.435 . . . . 0.0 111.554 -176.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.27 -17.14 0.21 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 126.545 2.021 . . . . 0.0 114.684 174.721 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 63.95 -29.7 0.1 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.061 2.544 . . . . 0.0 116.362 -178.073 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -168.15 156.84 9.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.884 1.674 . . . . 0.0 109.778 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -76.55 -30.25 57.02 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.32 -0.863 . . . . 0.0 112.873 165.052 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -88.97 46.27 1.37 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.56 1.544 . . . . 0.0 112.455 -164.237 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.271 6.7 p90 47.97 128.11 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 129.877 3.271 . . . . 0.0 117.225 -170.328 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -77.05 87.45 3.55 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.274 1.43 . . . . 0.0 111.283 177.146 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.3 t80 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.346 1.458 . . . . 0.0 111.702 176.933 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -51.0 152.33 2.24 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.748 1.219 . . . . 0.0 113.229 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 43.3 m -155.37 153.4 26.64 Favored Pre-proline 0 N--CA 1.478 0.961 0 O-C-N 120.641 -1.287 . . . . 0.0 109.828 -176.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.37 156.24 0.14 Allowed 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.29 2.66 . . . . 0.0 113.869 160.269 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -79.79 95.75 6.1 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 172.577 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.413 ' HA3' ' HA3' ' A' ' 52' ' ' GLY . . . -175.85 114.12 0.47 Allowed Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 109.631 -3.44 . . . . 0.0 113.088 -161.307 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.476 ' NE2' HG23 ' A' ' 109' ' ' VAL . 49.3 p-80 -149.26 152.17 35.48 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 122.451 1.119 . . . . 0.0 112.582 170.478 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.16 169.98 8.41 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -162.421 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.25 21.66 1.89 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.231 1.012 . . . . 0.0 112.456 174.432 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -167.55 -18.13 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 117.466 2.395 . . . . 0.0 117.466 -164.51 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -105.67 -20.44 13.46 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.965 1.306 . . . . 0.0 113.037 -178.006 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.2 t -36.09 145.93 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 -174.518 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.675 HD23 HG11 ' A' ' 63' ' ' VAL . 61.3 tp -92.02 120.68 32.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 162.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -78.64 132.85 37.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.971 1.709 . . . . 0.0 110.007 163.251 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 tp -118.0 -5.46 10.99 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 -164.502 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -154.65 -5.96 0.15 Allowed 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 119.455 3.131 . . . . 0.0 119.455 -169.403 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t 32.64 62.09 1.41 Allowed Pre-proline 0 N--CA 1.491 1.61 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 177.452 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.29 166.88 26.84 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 124.653 3.569 . . . . 0.0 114.685 -167.094 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -154.1 154.28 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.975 1.31 . . . . 0.0 111.448 176.228 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -134.92 -26.37 1.34 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.901 1.68 . . . . 0.0 113.561 171.602 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -154.4 110.14 3.19 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.564 2.345 . . . . 0.0 108.531 -177.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 O-C-N 120.374 -1.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 m -143.47 28.41 1.48 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.701 1.6 . . . . 0.0 112.873 -175.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.81 38.58 45.75 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.736 1.16 . . . . 0.0 114.7 -179.353 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.86 108.01 12.81 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 118.572 1.186 . . . . 0.0 111.051 -172.586 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -49.43 167.37 0.17 Allowed 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 124.996 3.798 . . . . 0.0 116.076 171.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.8 t -115.59 21.97 13.54 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.736 1.214 . . . . 0.0 113.96 -174.102 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.7 p -132.72 141.7 48.69 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.255 1.022 . . . . 0.0 111.571 176.753 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.73 -30.12 70.56 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.306 -0.871 . . . . 0.0 113.293 -177.724 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.89 -26.94 55.8 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 120.131 1.332 . . . . 0.0 114.704 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -99.2 -32.23 11.33 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.367 1.467 . . . . 0.0 113.041 176.589 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -71.96 -44.13 64.06 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.807 0.73 . . . . 0.0 112.588 174.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -62.07 -37.65 85.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.339 1.456 . . . . 0.0 111.69 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -56.91 -45.39 82.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.046 1.338 . . . . 0.0 111.176 170.237 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -69.61 -46.55 65.99 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.853 0.861 . . . . 0.0 112.172 176.769 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.6 mt -64.94 -32.3 73.95 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.558 1.143 . . . . 0.0 113.279 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -61.86 -40.26 94.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.676 0.79 . . . . 0.0 110.85 167.273 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.74 -35.43 77.11 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.878 -1.058 . . . . 0.0 113.333 172.482 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -55.44 -38.49 69.1 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 120.52 1.509 . . . . 0.0 113.706 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.74 -46.95 73.81 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 118.3 -0.857 . . . . 0.0 112.5 174.352 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.23 -49.47 77.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.649 1.113 . . . . 0.0 111.385 177.626 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -64.41 -10.12 22.81 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 127.949 2.5 . . . . 0.0 114.982 175.735 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -128.53 -41.04 0.28 Allowed Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.367 0.907 . . . . 0.0 115.367 -163.166 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.452 HG22 ' CE1' ' A' ' 108' ' ' TYR . 32.2 p -97.61 173.25 7.23 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.464 1.905 . . . . 0.0 112.638 -175.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -75.56 -34.46 60.71 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.931 0.892 . . . . 0.0 112.229 165.205 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -151.73 109.96 3.74 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 175.529 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -62.18 -28.43 69.66 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.092 1.357 . . . . 0.0 113.437 171.503 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.49 -8.88 54.5 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -166.045 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -84.56 -11.49 55.95 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.81 1.186 . . . . 0.0 112.558 171.14 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.7 m-85 -84.27 154.16 23.14 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.345 1.058 . . . . 0.0 113.03 -179.288 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -140.39 -38.34 0.45 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.79 0.836 . . . . 0.0 112.615 -166.179 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -149.87 174.89 12.16 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.941 0.896 . . . . 0.0 112.962 175.115 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -155.34 161.25 41.11 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 125.978 1.711 . . . . 0.0 112.807 -176.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.27 135.96 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.55 1.54 . . . . 0.0 109.977 177.578 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.4 mt -123.38 131.52 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.729 1.612 . . . . 0.0 108.454 -164.469 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 mt -122.47 135.0 54.57 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.533 1.133 . . . . 0.0 110.045 -179.215 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.5 p -127.31 174.01 9.31 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -167.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HB2' ' HA3' ' A' ' 91' ' ' GLY . 14.9 mt-10 -50.35 159.7 0.45 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.183 0.516 . . . . 0.0 109.927 160.122 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 61.99 35.54 16.04 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 171.03 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt 62.29 18.55 10.3 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 128.423 2.689 . . . . 0.0 115.204 173.056 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.49 142.34 46.88 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.655 -0.653 . . . . 0.0 113.21 174.156 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -145.92 129.46 16.97 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 128.694 2.798 . . . . 0.0 106.279 174.638 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -142.35 128.45 19.7 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.101 0.961 . . . . 0.0 110.693 -177.587 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.5 t -101.92 143.19 32.1 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 118.979 0.809 . . . . 0.0 111.799 174.535 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.5 t -143.97 123.06 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.643 1.577 . . . . 0.0 110.82 -179.206 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -77.18 122.43 25.02 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.338 -0.851 . . . . 0.0 110.133 164.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.0 mt -79.77 -26.87 40.52 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.482 1.513 . . . . 0.0 112.461 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -74.01 18.76 0.13 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.863 1.665 . . . . 0.0 115.044 -169.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.8 p -145.04 157.01 54.77 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 127.07 2.148 . . . . 0.0 109.911 175.783 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.91 153.01 33.29 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.674 2.916 . . . . 0.0 113.592 167.307 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.5 tp -56.38 148.06 19.9 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.661 1.984 . . . . 0.0 113.275 178.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.64 140.24 46.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.566 1.146 . . . . 0.0 111.358 175.097 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -65.09 -4.99 5.49 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -178.497 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -58.45 -50.57 73.24 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.735 -1.228 . . . . 0.0 110.518 163.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -67.96 -32.26 72.56 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.285 1.434 . . . . 0.0 111.689 -179.07 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -61.29 -18.1 56.88 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 176.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -125.91 -14.75 6.07 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -169.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.41 134.99 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 119.146 0.885 . . . . 0.0 111.118 174.832 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.21 125.04 35.34 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.545 0.738 . . . . 0.0 109.949 174.617 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.82 129.49 40.29 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.504 -0.747 . . . . 0.0 110.766 173.189 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.58 -27.26 48.27 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.312 1.045 . . . . 0.0 113.491 175.081 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' HA3' ' HB2' ' A' ' 67' ' ' GLU . . . -172.42 -176.23 41.02 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 126.116 1.817 . . . . 0.0 113.696 -178.363 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -69.02 153.55 43.6 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.207 1.403 . . . . 0.0 114.772 -179.243 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.5 ttp -69.8 65.97 0.23 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.113 2.565 . . . . 0.0 115.013 -175.088 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.18 -39.24 85.82 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.383 -1.448 . . . . 0.0 114.47 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -147.19 151.12 36.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.203 1.401 . . . . 0.0 111.971 -178.779 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.8 m -138.11 151.0 47.37 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.113 1.365 . . . . 0.0 110.044 161.167 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -130.97 145.2 51.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.821 1.648 . . . . 0.0 110.424 175.672 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -138.46 145.16 40.53 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.785 1.634 . . . . 0.0 112.302 -164.748 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -132.44 132.02 42.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.344 1.058 . . . . 0.0 110.269 -164.21 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 47.0 mttt -69.27 169.4 12.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.908 0.883 . . . . 0.0 112.386 173.23 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -59.04 43.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.213 3.005 . . . . 0.0 117.077 175.321 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.79 41.87 0.02 OUTLIER Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.286 -1.286 . . . . 0.0 114.416 -176.312 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -138.1 159.61 41.59 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -171.091 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.9 p -138.09 -1.43 1.96 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.081 2.552 . . . . 0.0 113.954 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -139.23 128.35 23.85 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.171 2.189 . . . . 0.0 108.169 166.061 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.5 p -58.59 157.05 9.68 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 -166.041 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.0 t -120.65 -17.46 8.02 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.444 1.498 . . . . 0.0 113.682 176.149 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.452 ' CE1' HG22 ' A' ' 53' ' ' THR . 25.7 t80 -127.1 153.52 45.9 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.409 1.083 . . . . 0.0 108.77 170.398 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG13 ' CD2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -159.09 147.57 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 C-N-CA 125.323 1.449 . . . . 0.0 110.569 -171.505 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.3 mt -141.39 124.16 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -167.151 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -84.5 153.62 23.2 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.251 1.02 . . . . 0.0 110.115 176.344 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.45 -173.28 31.96 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-O 119.625 -0.542 . . . . 0.0 113.886 174.641 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.02 140.1 34.05 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.106 2.537 . . . . 0.0 110.535 -177.343 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 150.16 -21.23 1.1 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 126.794 2.14 . . . . 0.0 113.929 176.129 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 59.91 -34.75 0.07 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 128.763 2.825 . . . . 0.0 118.161 175.135 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.2 t -160.12 146.67 15.87 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 120.871 1.669 . . . . 0.0 109.287 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -76.27 -18.82 58.8 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.662 -0.649 . . . . 0.0 112.552 172.278 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -84.12 45.83 1.14 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.355 1.862 . . . . 0.0 114.062 -161.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 66.46 96.63 0.05 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.593 1.957 . . . . 0.0 114.699 178.74 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.06 13.57 2.86 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -175.264 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--O 1.25 1.117 0 C-N-CA 125.061 1.344 . . . . 0.0 112.02 179.143 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -75.25 34.13 0.11 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.505 1.122 . . . . 0.0 113.916 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.425 ' HB ' ' HD3' ' B' ' 9' ' ' PRO . 47.3 m -80.37 -45.0 1.38 Allowed Pre-proline 0 N--CA 1.478 0.958 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -170.756 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.425 ' HD3' ' HB ' ' B' ' 8' ' ' THR . 50.7 Cg_exo -61.01 169.29 6.14 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 122.821 2.347 . . . . 0.0 113.673 175.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.12 24.0 1.17 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -170.843 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.83 171.68 7.2 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-N 108.723 -3.853 . . . . 0.0 115.232 168.692 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.476 ' CD2' HG13 ' A' ' 109' ' ' VAL . 45.0 p-80 -153.9 151.05 29.02 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.124 -1.221 . . . . 0.0 113.248 175.457 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -138.04 177.12 8.12 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 120.317 -1.489 . . . . 0.0 111.354 172.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -136.76 -4.56 1.99 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.127 2.171 . . . . 0.0 113.451 -178.644 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -31.59 0.54 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -179.278 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.39 81.67 5.63 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.053 0.93 . . . . 0.0 109.257 162.762 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -138.77 154.54 48.52 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.437 1.095 . . . . 0.0 111.799 -177.094 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.36 113.59 27.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 105.378 -2.082 . . . . 0.0 105.378 172.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -86.62 134.49 33.62 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 125.366 1.466 . . . . 0.0 111.283 169.299 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -97.56 -5.05 36.53 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -166.525 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -149.35 -77.2 0.15 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.748 1.158 . . . . 0.0 113.082 -168.213 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' THR . . . . . 0.594 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 4.1 t -162.95 0.4 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.394 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -168.309 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.594 ' CD ' ' H ' ' B' ' 24' ' ' THR . 27.2 Cg_endo -61.0 146.62 97.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 CA-C-N 123.089 2.139 . . . . 0.0 115.985 -151.58 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -157.6 168.02 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.17 1.388 . . . . 0.0 111.271 -168.735 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -121.29 19.49 11.41 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.118 1.367 . . . . 0.0 112.844 178.583 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -152.22 114.23 4.43 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.505 2.322 . . . . 0.0 110.006 176.357 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 m -147.76 22.85 1.12 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -169.143 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.23 169.17 20.2 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.592 1.567 . . . . 0.0 116.726 171.473 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.8 mt -132.22 82.6 57.96 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.604 1.562 . . . . 0.0 111.585 -177.61 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -83.6 174.37 8.81 Favored 'Trans proline' 0 CA--C 1.541 0.873 1 C-N-CA 125.354 4.036 . . . . 0.0 112.028 178.551 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -138.84 2.02 2.13 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.775 1.23 . . . . 0.0 114.088 167.539 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.5 p -136.39 143.2 43.88 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.796 1.638 . . . . 0.0 110.544 173.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.64 -25.92 68.37 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 176.56 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.54 -34.62 43.18 Favored Glycine 0 N--CA 1.472 1.092 0 CA-C-N 120.378 1.445 . . . . 0.0 115.357 172.574 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -87.92 -43.81 11.51 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.033 0.917 . . . . 0.0 112.01 175.708 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.95 -49.38 58.48 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.559 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.03 -41.74 99.61 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.913 0.779 . . . . 0.0 110.381 -177.41 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -58.73 -37.15 75.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.965 0.906 . . . . 0.0 112.655 173.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 mtm105 -67.67 -56.17 10.38 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.203 169.555 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.52 -37.62 78.82 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.59 1.541 . . . . 0.0 113.351 -174.631 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.0 ttm-85 -64.91 -33.03 75.06 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.086 2.154 . . . . 0.0 112.359 175.851 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -75.88 -40.63 54.15 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.138 0.975 . . . . 0.0 113.221 164.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.404 ' HA ' ' CE1' ' B' ' 11' ' ' TYS . 3.6 m-30 -59.15 -39.62 83.02 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 124.295 1.038 . . . . 0.0 112.774 -172.742 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -41.59 84.76 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -70.71 -46.38 63.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.232 1.013 . . . . 0.0 112.335 177.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -69.83 -16.78 63.33 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 173.497 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.03 -22.13 7.73 Favored Glycine 0 CA--C 1.535 1.329 0 CA-C-O 119.113 -0.826 . . . . 0.0 114.248 -168.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.8 p -116.94 167.45 11.12 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.941 1.371 . . . . 0.0 112.996 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.492 ' H ' ' HO3' ' B' ' 14' ' ' TYS . 34.1 mtmm -79.49 -28.63 41.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.276 1.03 . . . . 0.0 112.908 175.225 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -148.39 115.44 6.11 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.51 1.524 . . . . 0.0 111.239 166.659 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 t -82.65 -20.1 36.93 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 178.626 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.87 -13.47 59.67 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.018 -1.676 . . . . 0.0 115.308 -175.178 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -75.02 -24.91 58.43 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.159 -0.963 . . . . 0.0 112.782 175.065 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -83.22 140.15 32.7 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.127 0.971 . . . . 0.0 111.323 -177.532 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -122.66 -22.07 5.48 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.023 0.929 . . . . 0.0 112.522 -175.177 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -148.96 169.25 21.01 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.412 0.894 . . . . 0.0 113.412 171.667 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -141.75 154.83 45.53 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 126.57 1.948 . . . . 0.0 111.274 178.36 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.732 HG11 HD23 ' B' ' 20' ' ' LEU . 10.5 p -138.71 135.42 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.201 1.401 . . . . 0.0 109.893 178.243 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.9 mt -120.22 128.55 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 125.294 1.438 . . . . 0.0 107.467 -168.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.2 mt -113.59 123.86 50.98 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.8 1.24 . . . . 0.0 109.362 177.153 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 p -116.64 167.35 11.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.371 0.668 . . . . 0.0 111.466 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -54.01 164.42 0.62 Allowed 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.708 -0.62 . . . . 0.0 111.925 163.446 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.29 34.2 18.69 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 176.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 70.15 11.21 7.55 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.797 2.439 . . . . 0.0 114.985 172.179 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.95 137.1 43.71 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-N 119.295 0.952 . . . . 0.0 113.293 -179.345 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -144.31 110.25 5.37 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.975 2.11 . . . . 0.0 108.743 -179.318 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -127.33 117.36 22.08 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.25 -0.906 . . . . 0.0 109.304 -172.544 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -122.6 131.91 54.04 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.672 0.789 . . . . 0.0 112.921 -172.515 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.5 t -143.07 122.11 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.672 1.189 . . . . 0.0 110.841 -160.14 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -78.09 130.11 36.02 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 122.147 0.975 . . . . 0.0 110.453 168.351 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.5 mt -77.27 -0.36 25.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.191 1.797 . . . . 0.0 112.613 178.389 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -68.07 -10.29 52.77 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.009 1.724 . . . . 0.0 114.389 176.692 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.5 p -142.8 144.02 27.99 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 119.523 1.056 . . . . 0.0 111.355 -177.529 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.25 157.64 25.16 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.936 3.091 . . . . 0.0 114.314 171.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.95 155.28 13.65 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.445 1.498 . . . . 0.0 112.598 171.808 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.15 158.34 43.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.727 1.611 . . . . 0.0 112.142 -175.859 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -57.06 -33.35 67.17 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -165.382 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -66.58 -44.94 80.83 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 120.971 -1.08 . . . . 0.0 111.002 176.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -68.5 -22.95 64.5 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.339 1.456 . . . . 0.0 112.23 176.66 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -68.98 -24.7 64.27 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 171.058 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -124.86 -6.95 7.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -167.164 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.15 139.6 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.49 1.116 . . . . 0.0 111.593 170.481 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.42 151.96 22.22 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.314 1.046 . . . . 0.0 111.584 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.3 mt -90.09 145.07 25.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.51 1.124 . . . . 0.0 112.412 -178.726 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.6 mt -70.13 -32.1 69.94 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.282 1.033 . . . . 0.0 113.716 174.369 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.93 -175.3 41.48 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 123.865 0.745 . . . . 0.0 114.045 -175.632 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -63.69 147.36 51.82 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.844 1.257 . . . . 0.0 113.372 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttt -67.03 65.42 0.06 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 129.107 2.963 . . . . 0.0 113.885 -176.419 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -55.3 -47.97 74.79 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.914 -1.116 . . . . 0.0 112.672 -175.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -158.57 160.09 36.23 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 176.446 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.1 m -132.91 142.16 48.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.563 1.145 . . . . 0.0 109.409 167.681 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -125.51 149.98 47.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.283 1.833 . . . . 0.0 110.562 179.567 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -134.72 151.73 51.22 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.236 1.014 . . . . 0.0 112.506 -172.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.507 ' HE1' HG12 ' A' ' 63' ' ' VAL . 37.6 m-85 -134.66 131.33 37.61 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.392 -0.817 . . . . 0.0 110.715 -168.746 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -75.09 163.39 27.63 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.488 0.715 . . . . 0.0 111.895 178.635 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . 0.254 53.6 pttt -65.95 64.34 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.507 1.923 . . . . 0.0 114.603 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.62 32.71 0.05 OUTLIER Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.489 1.995 . . . . 0.0 114.213 178.457 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -132.66 160.43 36.73 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.082 1.441 . . . . 0.0 112.822 -163.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 99.0 p -142.83 10.55 1.79 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 174.028 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -141.66 129.86 22.21 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.921 -1.112 . . . . 0.0 108.828 163.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.4 t -62.41 154.27 28.77 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -172.268 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.7 m -131.43 -0.16 4.02 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.49 1.916 . . . . 0.0 113.799 172.305 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -139.23 137.48 35.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.308 1.443 . . . . 0.0 110.161 176.31 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.432 HG23 ' CD2' ' B' ' 13' ' ' HIS . 2.5 m -149.58 160.61 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 125.484 1.513 . . . . 0.0 112.837 -164.279 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.8 mt -144.09 121.3 5.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 -177.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -100.6 145.04 28.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.706 1.202 . . . . 0.0 110.267 -172.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.87 -174.26 27.34 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 114.764 0.666 . . . . 0.0 114.764 -175.543 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -64.11 138.24 60.9 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.821 2.347 . . . . 0.0 111.691 -175.126 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.05 149.43 5.46 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 127.511 2.481 . . . . 0.0 110.989 173.192 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -135.51 -10.94 2.14 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.954 1.702 . . . . 0.0 113.838 -170.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -157.96 114.75 2.89 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 122.616 1.198 . . . . 0.0 113.955 164.218 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -69.79 5.79 1.39 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.79 1.236 . . . . 0.0 113.036 168.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -125.51 12.72 8.1 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.819 1.248 . . . . 0.0 114.019 -170.27 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 94.34 113.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.852 2.861 . . . . 0.0 112.765 166.852 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.54 22.06 0.1 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -175.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 29.2 t80 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 125.51 1.524 . . . . 0.0 112.522 -174.213 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.301 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.4 t -145.99 31.58 1.03 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 128.182 2.593 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.75 152.05 20.27 Favored Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -178.139 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -50.53 -163.7 0.0 OUTLIER 'Trans proline' 0 CA--C 1.548 1.193 1 C-N-CA 127.97 5.78 . . . . 0.0 118.313 163.353 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -73.01 89.26 1.43 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.247 1.419 . . . . 0.0 110.422 168.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' TYS . . . . . 0.404 ' CE1' ' HA ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.31 135.62 3.78 Favored Glycine 0 N--CA 1.434 -1.472 0 CA-C-N 110.675 -2.966 . . . . 0.0 113.826 -160.26 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.432 ' CD2' HG23 ' A' ' 109' ' ' VAL . 54.2 p-80 -152.91 154.64 35.45 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 122.608 1.194 . . . . 0.0 111.623 160.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 14' ' ' TYS . . . . . 0.492 ' HO3' ' H ' ' A' ' 54' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -153.02 153.99 34.01 Favored 'General case' 0 C--N 1.345 0.375 0 O-C-N 120.82 -1.175 . . . . 0.0 110.491 -173.492 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -139.64 6.43 2.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.088 1.355 . . . . 0.0 113.726 -179.416 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -25.05 11.99 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.313 0.961 . . . . 0.0 112.524 163.547 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -101.17 93.7 5.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.753 1.621 . . . . 0.0 108.573 166.742 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.4 t -138.58 174.38 10.59 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.561 1.544 . . . . 0.0 110.926 179.255 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.732 HD23 HG11 ' A' ' 63' ' ' VAL . 48.7 tp -123.39 129.82 51.84 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.436 1.494 . . . . 0.0 107.974 161.852 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -98.14 90.91 5.03 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.825 2.85 . . . . 0.0 111.997 -175.895 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.87 41.75 0.08 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 128.442 2.697 . . . . 0.0 112.848 176.732 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -146.18 15.67 1.33 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 -175.139 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 14.2 t -154.58 149.95 21.0 Favored Pre-proline 0 N--CA 1.482 1.138 0 O-C-N 120.593 -1.317 . . . . 0.0 111.426 -178.194 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -98.52 163.71 0.7 Allowed 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 123.596 2.864 . . . . 0.0 114.446 -171.39 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 p -166.67 135.0 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.286 1.834 . . . . 0.0 109.495 160.29 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -140.31 8.88 2.25 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 179.649 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -88.26 103.26 15.62 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.323 1.049 . . . . 0.0 109.624 169.075 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 120.373 -1.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.8 p . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.11 0.481 . . . . 0.0 111.383 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -42.69 82.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.103 0.961 . . . . 0.0 112.473 -173.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.75 -37.99 44.08 Favored Glycine 0 CA--C 1.534 1.231 0 N-CA-C 115.107 0.803 . . . . 0.0 115.107 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -69.17 -41.79 76.74 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.352 1.076 . . . . 0.0 112.313 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 tt -70.25 -40.2 74.55 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.276 1.03 . . . . 0.0 112.037 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -54.54 -46.23 73.57 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.429 1.492 . . . . 0.0 112.146 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.88 -40.76 96.53 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.479 0.311 . . . . 0.0 110.718 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -63.75 -44.1 94.51 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.976 -0.535 . . . . 0.0 111.832 174.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.4 mt -66.54 -41.02 89.36 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -71.72 -26.16 62.37 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.036 -1.04 . . . . 0.0 112.703 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -64.98 -46.89 79.58 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.809 -0.615 . . . . 0.0 112.038 161.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.418 ' HB3' ' CD1' ' A' ' 110' ' ' ILE . 6.0 m-85 -53.13 -31.92 44.81 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.668 1.587 . . . . 0.0 114.511 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.04 -52.47 59.24 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.047 1.294 . . . . 0.0 113.06 170.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -66.14 -40.98 91.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.904 0.774 . . . . 0.0 112.23 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -71.59 -17.49 62.29 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.774 2.029 . . . . 0.0 114.49 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.1 -6.78 1.63 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 116.982 1.553 . . . . 0.0 116.982 -162.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.6 p -100.59 170.43 8.38 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 119.447 1.623 . . . . 0.0 110.737 163.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -82.1 -31.72 30.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.596 1.159 . . . . 0.0 110.528 161.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -148.85 121.34 8.51 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.25 1.42 . . . . 0.0 112.884 173.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.3 t -90.3 -22.43 21.57 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.699 1.199 . . . . 0.0 113.628 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.52 -15.68 19.65 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -168.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -81.04 -17.86 48.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.28 1.832 . . . . 0.0 114.317 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 70.6 m-85 -80.51 156.97 26.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.106 0.963 . . . . 0.0 113.217 -172.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -136.24 -40.57 0.66 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.267 1.427 . . . . 0.0 112.307 -167.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.428 ' HE3' ' CD2' ' B' ' 22' ' ' LEU . 35.0 pttt -150.15 171.48 16.83 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.859 0.837 . . . . 0.0 113.197 174.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -141.02 154.28 45.92 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.952 1.701 . . . . 0.0 111.248 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.64 HG11 HD23 ' B' ' 20' ' ' LEU . 14.3 p -140.29 140.9 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.734 1.614 . . . . 0.0 109.358 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.4 mt -130.35 126.35 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.149 1.379 . . . . 0.0 108.027 -160.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.9 mt -117.42 127.06 53.66 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.308 1.043 . . . . 0.0 109.317 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.1 p -119.21 171.88 7.98 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.411 0.684 . . . . 0.0 112.019 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -52.09 164.53 0.28 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.736 -0.602 . . . . 0.0 110.462 160.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 59.62 30.8 20.44 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.658 1.183 . . . . 0.0 112.898 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 48.37 31.12 2.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.556 2.742 . . . . 0.0 115.171 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.33 141.78 47.39 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 121.141 -0.974 . . . . 0.0 112.668 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -140.44 129.5 23.48 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 127.022 2.129 . . . . 0.0 107.629 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -143.64 143.83 31.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.441 1.497 . . . . 0.0 109.165 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 t -144.08 135.56 25.84 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.002 0.819 . . . . 0.0 112.655 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.0 t -143.0 116.36 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.952 1.301 . . . . 0.0 110.569 -168.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -67.64 118.16 10.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.269 0.627 . . . . 0.0 109.921 162.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.7 mt -69.52 -20.13 63.71 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.985 1.714 . . . . 0.0 112.285 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -65.79 -19.29 65.83 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.422 1.489 . . . . 0.0 114.591 -177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.4 p -142.2 138.9 17.13 Favored Pre-proline 0 N--CA 1.479 0.995 0 CA-C-N 119.802 1.183 . . . . 0.0 111.846 -170.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.26 130.6 36.8 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.416 2.744 . . . . 0.0 114.095 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -76.83 136.13 38.92 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.748 -0.595 . . . . 0.0 111.578 170.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.4 167.06 22.43 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.11 -42.58 39.65 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.721 1.209 . . . . 0.0 114.18 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -68.78 -20.54 64.35 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.263 -0.898 . . . . 0.0 112.609 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -89.37 -35.38 16.1 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.158 1.383 . . . . 0.0 111.336 171.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.8 -26.77 66.02 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.403 -0.811 . . . . 0.0 112.524 170.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -113.82 7.41 17.05 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.248 1.419 . . . . 0.0 113.09 -173.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.74 145.94 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.795 -1.191 . . . . 0.0 110.686 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.21 134.35 36.11 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -167.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.4 mt -82.06 128.79 34.47 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.804 1.242 . . . . 0.0 111.876 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.48 -30.46 61.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.715 1.606 . . . . 0.0 114.491 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.03 -179.53 40.63 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-N 119.083 0.856 . . . . 0.0 114.357 -174.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -68.38 154.19 42.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.498 1.119 . . . . 0.0 113.602 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 35.8 ttp -73.33 62.93 0.72 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.939 2.496 . . . . 0.0 114.598 -170.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -57.34 -46.38 83.35 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -147.45 150.27 34.29 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.056 0.943 . . . . 0.0 112.632 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.8 m -136.53 144.42 44.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.46 1.504 . . . . 0.0 109.836 166.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -129.44 147.31 51.24 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.403 1.881 . . . . 0.0 110.492 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -139.37 147.94 42.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.33 1.052 . . . . 0.0 112.754 -169.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.419 ' HE1' HG12 ' A' ' 63' ' ' VAL . 17.4 m-85 -135.25 136.97 42.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.857 1.263 . . . . 0.0 110.828 -167.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -74.02 165.55 24.94 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 173.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -54.89 67.56 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 129.725 3.21 . . . . 0.0 113.848 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.71 8.95 1.2 Allowed Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.925 1.726 . . . . 0.0 116.555 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -103.43 157.02 17.32 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 121.023 2.411 . . . . 0.0 114.5 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.1 m -137.92 24.41 2.82 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.548 1.539 . . . . 0.0 113.511 168.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -147.25 124.69 11.65 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.861 1.664 . . . . 0.0 108.131 160.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.2 p -62.33 156.78 21.42 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -167.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t -127.7 -5.13 5.81 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -131.78 142.15 49.67 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.981 1.312 . . . . 0.0 109.117 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.486 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -152.43 154.68 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 126.161 1.784 . . . . 0.0 111.144 -169.417 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 12.6 mt -147.14 130.45 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -104.22 167.57 9.67 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.56 -172.78 35.78 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 121.543 -0.723 . . . . 0.0 114.174 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.02 133.53 29.25 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.488 2.125 . . . . 0.0 110.589 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 157.24 -25.07 0.47 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.214 1.864 . . . . 0.0 113.823 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.9 tttt 58.4 -24.65 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 129.121 2.968 . . . . 0.0 117.669 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.4 t -164.83 161.96 20.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.37 1.868 . . . . 0.0 109.118 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -78.97 -23.77 44.28 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.305 -0.872 . . . . 0.0 112.701 167.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 124.506 1.122 . . . . 0.0 112.603 -177.459 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . 0.409 ' HA2' HG12 ' A' ' 110' ' ' ILE . . . . . . . . 0 CA--C 1.534 1.273 0 N-CA-C 117.139 1.616 . . . . 0.0 117.139 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.486 ' CD2' HG23 ' A' ' 109' ' ' VAL . 51.3 p-80 . . . . . 0 N--CA 1.467 0.395 0 CA-C-O 123.023 1.392 . . . . 0.0 113.638 160.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -129.58 19.42 5.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.186 0.994 . . . . 0.0 113.559 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -34.31 2.46 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.738 -1.226 . . . . 0.0 114.229 166.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.18 -10.83 60.31 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.195 0.998 . . . . 0.0 113.013 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -40.28 154.24 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 128.274 2.63 . . . . 0.0 116.999 -172.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.64 HD23 HG11 ' A' ' 63' ' ' VAL . 51.6 tp -101.7 132.87 47.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.584 1.183 . . . . 0.0 108.355 161.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -108.73 82.12 1.56 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 131.597 3.959 . . . . 0.0 111.679 -168.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.428 ' CD2' ' HE3' ' A' ' 61' ' ' LYS . 6.1 mp . . . . . 0 CA--C 1.555 1.163 0 C-N-CA 127.942 2.497 . . . . 0.0 115.766 -176.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.471 0.612 0 CA-C-O 121.448 0.642 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.6 tp -66.85 -32.76 74.25 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.457 0.703 . . . . 0.0 112.528 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.95 -42.59 94.9 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 120.018 1.281 . . . . 0.0 114.397 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.98 -35.56 80.9 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.624 -0.927 . . . . 0.0 112.195 174.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tt -70.12 -41.06 74.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.424 1.089 . . . . 0.0 112.325 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.88 -41.93 88.27 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.272 1.429 . . . . 0.0 112.123 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -61.02 -41.92 97.46 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.886 -0.508 . . . . 0.0 110.483 172.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -64.34 -46.02 85.3 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 121.79 -0.569 . . . . 0.0 111.526 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.36 -36.3 83.59 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.589 1.086 . . . . 0.0 113.136 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -66.12 -31.57 72.5 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.371 0.669 . . . . 0.0 111.614 171.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -67.34 -48.95 66.01 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.423 166.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -54.33 -34.38 60.9 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.09 -49.87 68.34 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.194 -0.941 . . . . 0.0 113.321 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -69.1 -43.33 74.71 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.301 0.501 . . . . 0.0 111.578 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -60.42 -28.34 68.19 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.481 1.912 . . . . 0.0 113.779 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.69 -14.15 4.39 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 117.682 1.833 . . . . 0.0 117.682 -160.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.1 p -119.13 160.48 22.01 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 118.746 1.273 . . . . 0.0 111.107 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.56 -40.02 77.04 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.072 0.549 . . . . 0.0 112.192 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -153.08 90.2 1.43 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.093 1.757 . . . . 0.0 110.998 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.3 p -60.0 -19.55 53.01 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -22.33 64.51 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 -175.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -74.29 -23.47 59.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.243 1.017 . . . . 0.0 112.898 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 94.3 m-85 -76.08 146.33 39.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.305 1.042 . . . . 0.0 111.055 177.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -128.34 -23.67 3.2 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -174.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -152.19 172.31 16.58 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.061 1.344 . . . . 0.0 112.554 168.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -138.92 157.44 46.03 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 126.71 2.004 . . . . 0.0 110.436 175.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.5 t -135.8 138.22 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.548 1.139 . . . . 0.0 108.827 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.9 mt -126.8 134.44 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.22 1.408 . . . . 0.0 108.162 -163.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.9 mt -122.28 134.86 54.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.455 1.502 . . . . 0.0 109.65 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.9 p -128.54 173.86 9.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.501 0.72 . . . . 0.0 112.51 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -54.04 169.9 0.15 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.71 0.767 . . . . 0.0 111.1 160.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 52.93 32.19 12.18 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.214 1.406 . . . . 0.0 113.069 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt 49.98 32.64 5.85 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.79 2.836 . . . . 0.0 115.466 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.21 147.49 49.14 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.88 -0.513 . . . . 0.0 113.168 170.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -151.03 127.88 10.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.901 2.08 . . . . 0.0 109.156 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -143.17 121.82 12.55 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.552 0.741 . . . . 0.0 111.015 -173.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.9 t -94.75 136.62 34.85 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.018 0.826 . . . . 0.0 110.866 167.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.9 t -142.9 127.55 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.536 1.534 . . . . 0.0 109.851 -175.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -84.63 144.27 28.7 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.558 -0.714 . . . . 0.0 112.153 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.1 mt -107.72 -18.47 13.82 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -72.96 -0.35 13.47 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.524 1.057 . . . . 0.0 113.032 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.7 p -148.77 156.25 41.27 Favored Pre-proline 0 C--O 1.24 0.559 0 C-N-CA 126.015 1.726 . . . . 0.0 110.658 -164.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.11 148.92 83.29 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 122.805 2.337 . . . . 0.0 111.329 157.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -91.52 151.32 20.81 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.32 0.581 . . . . 0.0 111.602 170.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.67 148.31 49.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.562 0.745 . . . . 0.0 112.58 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -57.05 -34.45 68.26 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -174.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.21 -29.82 68.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.263 1.025 . . . . 0.0 112.046 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -90.15 -28.87 18.65 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.796 2.038 . . . . 0.0 111.203 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -61.8 -35.29 77.76 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.113 0.869 . . . . 0.0 111.53 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -105.16 2.04 28.88 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.49 140.98 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.731 1.151 . . . . 0.0 112.187 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -79.22 116.7 19.64 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.257 1.423 . . . . 0.0 110.757 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.48 135.63 57.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.547 1.139 . . . . 0.0 112.255 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.1 -26.7 68.33 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.903 0.881 . . . . 0.0 113.072 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.51 -172.37 36.8 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.347 1.451 . . . . 0.0 113.474 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -69.76 153.01 43.95 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.88 2.072 . . . . 0.0 113.05 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 40.3 ttp -70.03 64.56 0.23 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.488 2.315 . . . . 0.0 115.107 -171.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.24 -49.43 33.3 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -163.14 156.7 19.71 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.694 1.134 . . . . 0.0 112.196 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.6 m -138.35 151.03 47.16 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.076 1.35 . . . . 0.0 111.02 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -132.28 143.6 50.01 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.638 2.375 . . . . 0.0 110.201 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -135.88 141.19 44.57 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.91 0.884 . . . . 0.0 112.21 -170.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -132.11 131.58 42.47 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.462 1.105 . . . . 0.0 111.382 -163.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -81.72 166.63 19.91 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 177.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -36.92 101.71 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.114 2.166 . . . . 0.0 114.085 170.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.8 4.0 79.65 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.602 1.096 . . . . 0.0 115.543 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -86.4 161.65 18.55 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.953 1.377 . . . . 0.0 112.165 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.9 m -139.83 25.66 2.33 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.025 1.73 . . . . 0.0 112.676 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -144.63 140.85 28.96 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.696 1.598 . . . . 0.0 108.369 163.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.3 p -70.78 155.25 41.01 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 p -125.69 -8.83 6.76 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.908 1.283 . . . . 0.0 113.798 167.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -130.68 140.72 50.38 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.162 1.385 . . . . 0.0 108.758 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.464 HG23 ' NE2' ' B' ' 13' ' ' HIS . 2.5 m -149.77 154.95 8.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 125.861 1.664 . . . . 0.0 110.846 -171.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.6 mt -145.63 132.74 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -173.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -102.74 138.92 39.0 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 124.331 1.052 . . . . 0.0 109.743 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.41 -178.74 24.67 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 114.131 0.412 . . . . 0.0 114.131 -174.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.71 131.33 27.26 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.732 2.288 . . . . 0.0 112.621 -173.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.35 -30.05 0.18 Allowed Glycine 0 CA--C 1.539 1.533 0 N-CA-C 116.086 1.194 . . . . 0.0 116.086 173.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? 69.23 -32.74 0.23 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 127.093 2.157 . . . . 0.0 115.575 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -164.33 161.33 21.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.081 1.352 . . . . 0.0 110.867 172.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -76.21 -33.31 59.25 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.795 -0.566 . . . . 0.0 111.974 164.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 125.454 1.502 . . . . 0.0 112.523 -170.581 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.313 0 CA-C-O 121.342 0.412 . . . . 0.0 113.893 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.464 ' NE2' HG23 ' A' ' 109' ' ' VAL . 44.3 p-80 . . . . . 0 N--CA 1.465 0.277 0 O-C-N 121.097 -1.237 . . . . 0.0 111.94 173.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 121.468 0.652 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -141.86 -26.12 0.67 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.844 2.058 . . . . 0.0 112.306 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -70.0 -25.37 63.57 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.17 0.896 . . . . 0.0 113.208 -171.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -114.65 8.14 16.18 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.513 1.925 . . . . 0.0 113.179 -174.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -55.28 150.34 11.36 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -172.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.3 tp -92.71 123.57 36.09 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 166.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -102.63 96.87 7.17 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.831 2.452 . . . . 0.0 111.637 -173.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 CA--C 1.551 0.989 0 C-N-CA 128.464 2.706 . . . . 0.0 115.119 179.689 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.17 -33.28 70.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.059 0.943 . . . . 0.0 113.039 -177.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.71 -44.09 79.95 Favored Glycine 0 CA--C 1.536 1.351 0 O-C-N 120.966 -1.084 . . . . 0.0 114.06 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 10.5 mmpt? -65.92 -37.42 86.01 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.353 1.076 . . . . 0.0 112.667 174.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.4 tp -66.72 -44.12 82.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.491 -0.766 . . . . 0.0 112.397 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -55.41 -43.46 75.31 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.161 1.346 . . . . 0.0 111.974 173.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.0 -22.76 65.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.572 1.549 . . . . 0.0 112.449 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -86.05 -48.07 8.99 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 120.752 -1.217 . . . . 0.0 112.796 165.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.15 -34.33 77.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.638 1.563 . . . . 0.0 113.629 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -64.17 -34.15 77.41 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.496 0.589 . . . . 0.0 111.447 169.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -71.33 -39.39 71.39 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.785 169.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -60.44 -24.7 65.42 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.369 1.44 . . . . 0.0 114.507 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.85 -51.45 22.34 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.797 1.18 . . . . 0.0 113.716 164.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -68.68 -40.7 79.96 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.297 0.953 . . . . 0.0 112.313 -174.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -75.99 -10.61 59.56 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.301 1.84 . . . . 0.0 113.742 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.16 -17.58 2.44 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 117.361 1.704 . . . . 0.0 117.361 -170.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.4 p -112.4 159.93 18.23 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.116 1.958 . . . . 0.0 112.563 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -67.67 -34.18 76.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.704 1.602 . . . . 0.0 112.576 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -163.34 97.29 0.89 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.844 2.458 . . . . 0.0 111.155 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 t -59.64 -23.87 63.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.237 1.415 . . . . 0.0 114.781 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -5.77 2.95 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -92.58 -6.12 50.19 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.767 -1.208 . . . . 0.0 113.403 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 78.6 m-85 -88.05 153.44 21.27 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.987 1.267 . . . . 0.0 113.031 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -134.94 -40.66 0.76 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.079 1.351 . . . . 0.0 112.465 -165.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -147.15 171.7 14.94 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 169.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -135.62 159.72 40.75 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.201 1.4 . . . . 0.0 112.076 172.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.0 t -138.99 135.09 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 126.284 1.834 . . . . 0.0 108.562 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mt -127.9 133.11 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.674 1.59 . . . . 0.0 108.395 -165.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -117.78 113.14 21.37 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.631 1.172 . . . . 0.0 107.925 173.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.1 p -98.68 171.23 8.24 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.333 0.587 . . . . 0.0 111.476 -177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -58.47 165.27 2.19 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.451 -0.78 . . . . 0.0 110.67 160.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 54.11 39.85 31.07 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.212 1.405 . . . . 0.0 113.858 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt 56.83 25.93 10.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.088 2.155 . . . . 0.0 114.999 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.1 143.72 40.01 Favored Glycine 0 CA--C 1.533 1.178 0 O-C-N 121.182 -0.949 . . . . 0.0 112.789 169.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -138.79 132.52 30.75 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 127.081 2.152 . . . . 0.0 107.015 170.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -145.46 144.38 30.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.814 0.846 . . . . 0.0 111.058 -177.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.8 t -135.02 143.6 46.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.361 1.065 . . . . 0.0 112.393 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.85 128.98 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.836 1.655 . . . . 0.0 110.135 -172.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -86.44 92.72 8.93 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.357 1.463 . . . . 0.0 112.247 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.02 -13.34 2.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.777 2.431 . . . . 0.0 115.215 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -59.55 -16.09 22.68 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 163.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.6 p -146.01 148.64 36.23 Favored Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 125.445 1.498 . . . . 0.0 110.885 -167.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -71.36 122.26 8.5 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 123.934 3.09 . . . . 0.0 111.024 171.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -63.81 136.56 57.52 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.581 -0.699 . . . . 0.0 111.82 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.15 158.82 15.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.894 0.878 . . . . 0.0 112.976 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -59.14 -33.27 70.69 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -170.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -71.86 -33.19 68.19 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.723 -1.236 . . . . 0.0 112.136 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.75 -28.23 60.67 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.327 1.051 . . . . 0.0 111.964 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -61.16 -26.32 67.62 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.842 -1.162 . . . . 0.0 112.3 166.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -118.02 20.38 13.28 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.378 1.471 . . . . 0.0 112.621 -171.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.35 142.3 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 CA-C-N 119.452 1.023 . . . . 0.0 111.225 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.59 133.16 48.09 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.982 1.713 . . . . 0.0 114.02 -168.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.3 122.02 34.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.226 1.411 . . . . 0.0 112.527 172.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.11 -28.85 63.55 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.296 1.438 . . . . 0.0 114.826 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -175.05 -177.98 44.55 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-N 119.78 1.173 . . . . 0.0 114.551 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 147.06 12.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.853 2.061 . . . . 0.0 113.711 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.4 ttp -66.15 51.5 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 129.116 2.967 . . . . 0.0 115.011 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -50.34 -47.62 55.82 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.996 1.318 . . . . 0.0 113.921 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.48 140.52 26.29 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.947 0.794 . . . . 0.0 112.273 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.8 m -136.65 145.08 44.41 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.908 0.883 . . . . 0.0 111.043 168.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -124.63 139.3 53.99 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 128.57 2.748 . . . . 0.0 109.834 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -131.81 139.83 48.99 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.291 1.436 . . . . 0.0 110.948 -172.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -129.87 126.47 38.06 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.72 1.208 . . . . 0.0 110.112 -163.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 37.0 mttt -67.79 164.77 18.83 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -63.45 61.18 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.632 3.173 . . . . 0.0 112.022 168.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.93 40.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.943 0 C-N-CA 125.903 1.716 . . . . 0.0 113.569 -176.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -153.17 146.09 24.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.049 1.339 . . . . 0.0 111.761 -167.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.7 m -142.44 38.48 1.54 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.13 1.372 . . . . 0.0 111.367 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.516 ' CE ' HG21 ' B' ' 19' ' ' THR . 72.8 tttt -152.71 119.49 5.72 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.204 2.202 . . . . 0.0 106.251 162.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.0 p -51.68 147.29 6.72 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -168.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.8 t -109.93 -15.26 14.11 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.276 0.63 . . . . 0.0 112.428 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -133.65 140.99 47.42 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 125.206 1.402 . . . . 0.0 109.635 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.418 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -151.44 154.93 7.58 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 C-N-CA 125.46 1.504 . . . . 0.0 111.861 -174.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.59 118.36 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -170.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -90.27 109.99 21.06 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.49 -167.96 16.69 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.865 0.745 . . . . 0.0 113.491 -171.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -64.65 122.7 10.65 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.82 2.346 . . . . 0.0 109.499 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 132.48 159.78 9.39 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 127.469 2.461 . . . . 0.0 109.883 -171.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -137.83 -15.39 1.36 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -165.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.8 t -169.08 155.78 6.81 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.269 1.828 . . . . 0.0 108.051 -175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -74.98 -23.82 58.34 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.085 -1.009 . . . . 0.0 111.72 167.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 CA--C 1.547 0.858 0 C-N-CA 124.412 1.085 . . . . 0.0 113.172 -171.511 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.448 0 N-CA-C 117.698 1.839 . . . . 0.0 117.698 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.418 ' NE2' HG13 ' A' ' 109' ' ' VAL . 44.2 p-80 . . . . . 0 N--CA 1.469 0.485 0 O-C-N 120.849 -1.383 . . . . 0.0 113.133 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -136.21 -18.47 1.53 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 169.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -147.34 -17.87 0.39 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 175.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.53 -21.79 66.78 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.516 HG21 ' CE ' ' A' ' 105' ' ' LYS . 8.9 t -37.05 155.72 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.287 2.635 . . . . 0.0 116.491 177.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 41.3 tp -98.33 117.49 32.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 160.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -77.83 134.83 37.91 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.665 0.745 . . . . 0.0 110.413 167.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 CA--C 1.546 0.792 0 C-N-CA 127.662 2.385 . . . . 0.0 110.759 174.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 121.015 0.436 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.84 -34.41 69.68 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.897 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.98 -41.38 45.19 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 119.592 1.087 . . . . 0.0 114.637 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -87.09 -35.87 18.45 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.419 1.087 . . . . 0.0 113.068 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.94 -41.85 99.62 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.748 0.704 . . . . 0.0 111.922 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.1 -40.72 86.18 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.224 1.81 . . . . 0.0 113.254 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.8 -40.83 95.88 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -63.8 -47.89 79.07 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.212 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.41 -37.51 83.72 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.281 1.401 . . . . 0.0 114.221 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -66.19 -30.34 70.78 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.538 -0.726 . . . . 0.0 111.245 172.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -74.88 -34.98 62.31 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 117.847 -1.073 . . . . 0.0 112.998 169.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -58.49 -34.03 70.46 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.611 1.55 . . . . 0.0 113.127 171.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.56 -49.85 69.57 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.158 -0.964 . . . . 0.0 112.922 174.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -65.73 -43.45 88.99 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.546 0.612 . . . . 0.0 112.172 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -65.68 -19.16 65.8 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.526 1.13 . . . . 0.0 114.023 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -130.43 -9.44 2.94 Favored Glycine 0 CA--C 1.535 1.317 0 N-CA-C 117.584 1.794 . . . . 0.0 117.584 -161.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 p -128.11 151.8 48.76 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 120.339 2.07 . . . . 0.0 111.89 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -67.17 -30.71 70.75 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -158.17 91.5 1.11 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.825 1.65 . . . . 0.0 112.328 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.6 p -54.75 -27.37 40.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.223 1.809 . . . . 0.0 115.118 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.6 -22.71 66.7 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -166.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -74.86 -18.99 60.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.676 1.19 . . . . 0.0 113.346 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -77.17 155.17 32.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.639 0.775 . . . . 0.0 112.327 -176.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -126.45 -48.05 1.56 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.15 1.38 . . . . 0.0 110.507 -166.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -151.53 178.02 9.73 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.906 1.283 . . . . 0.0 112.339 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -145.47 163.6 34.17 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 125.653 1.581 . . . . 0.0 111.904 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 HD23 ' B' ' 20' ' ' LEU . 11.5 p -145.18 137.14 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.231 1.412 . . . . 0.0 110.437 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.58 137.84 47.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 126.895 2.078 . . . . 0.0 108.817 -170.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 mt -121.97 128.69 51.77 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.584 1.554 . . . . 0.0 109.364 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 p -125.1 174.39 8.08 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -171.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -54.72 167.87 0.33 Allowed 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.588 -0.695 . . . . 0.0 110.064 160.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 56.24 33.84 22.9 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.298 1.039 . . . . 0.0 113.377 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 48.2 30.6 2.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 128.075 2.55 . . . . 0.0 115.315 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.44 138.97 45.35 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.312 -0.867 . . . . 0.0 112.82 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -138.31 126.07 22.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.66 2.384 . . . . 0.0 106.927 172.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -144.98 137.1 25.87 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.302 1.041 . . . . 0.0 110.115 -177.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.3 t -127.54 143.58 51.16 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.025 1.284 . . . . 0.0 112.498 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.7 t -144.16 144.86 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.274 1.829 . . . . 0.0 108.915 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -77.02 154.47 33.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.894 0.854 . . . . 0.0 113.111 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.6 mt -105.89 -18.61 14.0 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.824 1.649 . . . . 0.0 112.35 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -58.34 -27.66 64.37 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.372 0.669 . . . . 0.0 112.497 170.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.6 p -145.23 159.57 48.61 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 126.822 2.049 . . . . 0.0 109.946 -169.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.91 147.56 27.2 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 124.099 3.2 . . . . 0.0 112.779 171.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.28 164.01 23.75 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -171.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.76 143.49 55.84 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.448 1.099 . . . . 0.0 113.891 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -62.35 -22.93 66.49 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 120.89 -1.131 . . . . 0.0 113.961 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.94 -36.58 82.56 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 119.871 -1.768 . . . . 0.0 111.54 170.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -73.96 -13.87 60.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.697 1.199 . . . . 0.0 111.996 174.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -73.18 -13.83 61.24 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 163.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -110.59 -19.18 12.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.963 1.305 . . . . 0.0 113.755 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -64.73 132.44 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.686 0.795 . . . . 0.0 112.029 -172.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -68.92 125.56 27.02 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.702 0.801 . . . . 0.0 110.999 172.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.5 mt -64.87 127.61 32.29 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.552 -0.718 . . . . 0.0 111.048 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.67 -33.19 69.84 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.37 -174.73 39.28 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.498 1.046 . . . . 0.0 113.799 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -63.88 148.82 48.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.422 1.089 . . . . 0.0 112.79 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 37.9 ttp -71.42 63.7 0.39 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 129.198 2.999 . . . . 0.0 115.058 -170.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -56.06 -39.75 72.51 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.843 -1.161 . . . . 0.0 114.028 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -144.1 158.64 43.59 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.407 1.083 . . . . 0.0 112.415 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.0 m -141.72 149.11 40.09 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.417 1.487 . . . . 0.0 110.072 163.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -131.48 150.22 52.23 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.111 1.764 . . . . 0.0 111.545 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -139.47 144.29 37.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.546 1.538 . . . . 0.0 112.12 -169.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -132.54 141.23 48.65 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.105 1.362 . . . . 0.0 111.879 -166.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 160.72 19.44 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -52.76 89.92 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.461 2.704 . . . . 0.0 113.769 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.74 -7.0 17.77 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 126.081 1.8 . . . . 0.0 115.266 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -104.28 162.29 13.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.178 1.791 . . . . 0.0 111.525 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.3 p -141.87 14.11 2.09 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.765 1.626 . . . . 0.0 114.314 -172.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -133.35 142.15 48.27 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.574 1.55 . . . . 0.0 107.434 165.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.7 p -64.2 162.37 14.68 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.261 1.029 . . . . 0.0 113.253 -170.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.2 t -132.89 -10.1 3.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.238 -1.346 . . . . 0.0 112.397 165.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -137.15 140.09 41.61 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.177 1.391 . . . . 0.0 109.125 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.401 HG13 ' CD2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -156.02 153.37 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.691 1.596 . . . . 0.0 111.283 -169.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.1 mt -142.33 133.09 24.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -167.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -95.59 142.89 27.38 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.132 0.973 . . . . 0.0 110.922 175.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.53 -169.81 14.57 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 123.27 0.462 . . . . 0.0 113.696 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -66.4 145.25 76.71 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.793 2.328 . . . . 0.0 109.945 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.32 -24.9 2.19 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.883 1.706 . . . . 0.0 113.57 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt 60.54 -18.39 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.872 2.869 . . . . 0.0 117.175 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -171.83 157.58 4.59 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.862 1.665 . . . . 0.0 110.1 -178.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -78.93 -20.35 49.53 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.325 -0.859 . . . . 0.0 112.419 165.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 CA--C 1.548 0.904 0 C-N-CA 126.714 2.006 . . . . 0.0 114.793 -170.664 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.16 0 N-CA-C 114.807 0.683 . . . . 0.0 114.807 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.401 ' CD2' HG13 ' A' ' 109' ' ' VAL . 47.6 p-80 . . . . . 0 CA--C 1.513 -0.447 0 O-C-N 121.219 -1.165 . . . . 0.0 111.787 171.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -142.01 31.24 1.59 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.107 1.763 . . . . 0.0 111.321 164.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -163.73 -27.2 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.164 1.385 . . . . 0.0 114.599 -167.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -95.84 -17.87 20.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.182 2.193 . . . . 0.0 112.052 -166.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -49.0 153.05 0.94 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 129.989 3.316 . . . . 0.0 118.767 -165.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.664 HD23 HG11 ' A' ' 63' ' ' VAL . 37.9 tp -99.61 134.41 42.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.107 1.363 . . . . 0.0 108.042 160.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -111.04 95.5 5.58 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 127.225 2.21 . . . . 0.0 111.052 -174.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 125.484 1.514 . . . . 0.0 111.696 177.218 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 121.161 0.505 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.7 mt -63.67 -29.92 71.09 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.36 -0.828 . . . . 0.0 111.673 167.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.83 -36.64 6.73 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 120.153 1.342 . . . . 0.0 115.086 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -95.02 -45.92 7.04 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.418 1.109 . . . . 0.0 113.393 166.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.36 -43.91 76.41 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -172.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.21 -38.74 90.31 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 120.185 1.357 . . . . 0.0 110.867 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.27 -45.99 92.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.979 0.912 . . . . 0.0 111.163 169.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -68.07 -38.81 82.84 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.396 1.078 . . . . 0.0 113.126 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.79 -31.69 66.85 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.453 -1.405 . . . . 0.0 113.039 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -62.07 -34.0 75.46 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.559 0.618 . . . . 0.0 111.042 166.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.06 -45.59 73.45 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.576 170.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -54.13 -41.75 68.72 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.0 -43.24 93.19 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.075 1.307 . . . . 0.0 113.337 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -69.09 -43.87 73.63 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.58 1.082 . . . . 0.0 112.007 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -61.54 -21.06 63.94 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.956 1.302 . . . . 0.0 113.954 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.16 -41.82 0.53 Allowed Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -160.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.5 p -92.85 167.88 11.54 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.884 1.342 . . . . 0.0 112.238 -177.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.25 -35.84 66.3 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.251 -0.906 . . . . 0.0 111.936 168.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -146.41 112.97 5.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.098 0.959 . . . . 0.0 112.466 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.9 t -67.82 -28.17 67.34 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.02 1.328 . . . . 0.0 113.258 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.88 -12.18 58.44 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -81.73 -14.82 56.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.021 0.928 . . . . 0.0 113.446 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -90.1 132.98 35.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.522 1.129 . . . . 0.0 111.038 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -116.94 -25.71 7.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.002 0.921 . . . . 0.0 112.902 -170.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -150.47 173.29 14.23 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.475 1.11 . . . . 0.0 112.699 168.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -145.08 158.72 43.73 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 126.079 1.751 . . . . 0.0 111.216 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.418 HG21 HD11 ' B' ' 22' ' ' LEU . 94.6 t -137.01 134.82 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 125.072 1.349 . . . . 0.0 109.474 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.3 mt -120.75 130.86 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 125.876 1.671 . . . . 0.0 107.807 -166.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.1 mt -117.17 117.64 30.15 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.0 0.92 . . . . 0.0 108.633 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.9 p -107.81 175.62 5.42 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.558 0.743 . . . . 0.0 111.995 -171.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -53.95 172.98 0.07 Allowed 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.303 -0.873 . . . . 0.0 111.546 160.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 53.43 29.5 8.97 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.126 1.37 . . . . 0.0 113.702 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp 56.83 35.48 26.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.53 1.932 . . . . 0.0 113.626 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.07 150.55 30.68 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.107 0.86 . . . . 0.0 113.438 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.67 136.01 26.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.73 2.412 . . . . 0.0 107.595 176.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -143.1 137.5 29.2 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.134 0.973 . . . . 0.0 110.503 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -117.0 134.16 55.1 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.255 1.022 . . . . 0.0 109.997 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.92 113.63 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.019 0.928 . . . . 0.0 109.747 -160.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -80.84 118.11 22.07 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.47 0.708 . . . . 0.0 110.695 -176.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.5 mt -77.48 -27.77 52.08 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.837 1.255 . . . . 0.0 111.066 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -64.11 0.92 0.8 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.407 1.883 . . . . 0.0 114.125 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.1 p -134.31 138.31 29.98 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.794 1.638 . . . . 0.0 110.218 171.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.71 153.08 45.01 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.704 2.936 . . . . 0.0 113.066 170.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tt -64.73 130.81 44.93 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.599 1.16 . . . . 0.0 110.749 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.65 174.84 9.71 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.488 1.515 . . . . 0.0 112.13 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -47.78 -34.89 9.11 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.59 2.071 . . . . 0.0 116.59 -168.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -71.35 -27.79 63.6 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.987 0.812 . . . . 0.0 112.398 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -89.87 -29.0 18.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.465 1.506 . . . . 0.0 109.986 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -62.12 -27.88 69.24 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.434 1.094 . . . . 0.0 113.825 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -127.56 -1.92 6.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -165.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.93 141.33 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 118.9 0.773 . . . . 0.0 110.836 168.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -106.86 139.56 41.08 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.56 1.171 . . . . 0.0 111.893 172.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.27 149.48 33.55 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.958 2.103 . . . . 0.0 110.728 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.3 -24.91 64.91 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.449 1.099 . . . . 0.0 113.329 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.26 -175.03 36.24 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.987 0.803 . . . . 0.0 114.292 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -66.96 155.14 39.33 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.122 1.369 . . . . 0.0 113.305 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ttt -66.18 64.11 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 129.223 3.009 . . . . 0.0 114.372 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.403 ' CZ ' ' HE2' ' A' ' 95' ' ' LYS . 31.0 t80 -61.24 -45.41 94.66 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.41 -1.432 . . . . 0.0 113.993 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.403 ' HE2' ' CZ ' ' A' ' 94' ' ' TYR . 71.8 mmtt -142.83 155.86 44.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.93 1.292 . . . . 0.0 111.499 176.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 54.6 m -141.02 147.78 39.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.199 1.0 . . . . 0.0 110.085 166.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -129.48 138.41 51.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.421 2.289 . . . . 0.0 109.322 -175.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -130.94 140.95 50.23 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.823 0.849 . . . . 0.0 112.652 -170.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.519 ' CZ ' HD13 ' B' ' 22' ' ' LEU . 63.7 m-85 -126.7 128.95 47.49 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.927 1.291 . . . . 0.0 110.962 -163.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -77.88 164.25 25.32 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -43.13 109.94 0.16 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.127 1.771 . . . . 0.0 113.056 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.73 25.58 73.62 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.189 0.9 . . . . 0.0 115.102 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -122.12 158.04 30.18 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.154 1.477 . . . . 0.0 111.454 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.3 p -134.16 3.7 3.42 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -165.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -126.3 134.76 51.05 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.217 1.407 . . . . 0.0 108.476 161.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 p -62.46 163.02 9.3 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.5 t -132.76 -16.79 2.56 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.372 1.069 . . . . 0.0 113.746 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -125.31 140.06 53.15 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 169.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.439 HG23 ' NE2' ' B' ' 13' ' ' HIS . 14.8 m -141.96 154.01 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 C-N-CA 123.981 0.912 . . . . 0.0 111.273 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.8 mt -145.46 137.77 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.133 -167.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -113.73 133.37 55.39 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 125.634 1.574 . . . . 0.0 109.771 -169.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.47 -172.06 19.34 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 114.205 0.442 . . . . 0.0 114.205 -169.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.34 134.07 22.1 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.018 2.478 . . . . 0.0 111.774 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 154.63 -12.65 0.48 Allowed Glycine 0 CA--C 1.539 1.55 0 C-N-CA 126.987 2.232 . . . . 0.0 114.787 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt 63.45 -37.3 0.17 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.554 2.741 . . . . 0.0 116.795 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.1 t -170.52 153.54 4.28 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.744 1.617 . . . . 0.0 110.115 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -74.36 -26.35 60.07 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.252 -0.905 . . . . 0.0 112.896 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 . . . . . 0 N--CA 1.481 1.076 0 C-N-CA 126.593 1.957 . . . . 0.0 114.813 -177.831 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.2 0 CA-C-O 120.038 -0.312 . . . . 0.0 113.086 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.439 ' NE2' HG23 ' A' ' 109' ' ' VAL . 26.5 p-80 . . . . . 0 N--CA 1.469 0.522 0 CA-C-N 118.405 1.103 . . . . 0.0 112.535 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 121.121 0.486 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.17 0.34 1.91 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 166.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -117.19 -24.15 7.6 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -173.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -96.47 -14.3 22.47 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.662 1.185 . . . . 0.0 112.743 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -37.26 144.09 0.08 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 128.707 2.803 . . . . 0.0 116.145 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 65.5 tp -92.47 125.17 37.0 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 166.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.33 112.81 22.46 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.646 1.212 . . . . 0.0 109.819 164.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.519 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 5.0 mp . . . . . 0 N--CA 1.47 0.569 0 C-N-CA 124.38 1.072 . . . . 0.0 111.039 171.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 C--O 1.235 0.326 0 CA-C-O 121.439 0.638 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.69 -38.94 67.62 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.521 1.128 . . . . 0.0 113.019 -171.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.78 -32.85 59.2 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.508 1.052 . . . . 0.0 115.515 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -77.16 -30.03 54.76 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.358 1.079 . . . . 0.0 112.365 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 tp -76.75 -44.92 31.14 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.44 1.096 . . . . 0.0 111.832 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.28 -44.49 65.01 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.067 1.347 . . . . 0.0 111.16 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.04 -38.26 67.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.489 0.715 . . . . 0.0 112.779 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -73.31 -48.61 32.99 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.219 -0.926 . . . . 0.0 111.035 173.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.3 -40.17 96.6 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.743 1.217 . . . . 0.0 113.748 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -67.6 -35.36 78.83 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.63 1.972 . . . . 0.0 111.558 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -70.72 -41.5 71.81 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 166.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CD1' HD13 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -54.08 -34.32 59.86 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.922 1.289 . . . . 0.0 113.903 178.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.34 -45.77 75.39 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 177.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -66.33 -48.56 69.89 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.013 0.525 . . . . 0.0 110.773 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -68.93 -20.36 64.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.121 2.168 . . . . 0.0 114.514 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.18 -13.57 6.36 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 117.066 1.586 . . . . 0.0 117.066 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.5 p -101.79 168.22 9.58 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.819 1.81 . . . . 0.0 113.357 175.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -74.77 -37.87 62.32 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.39 0.676 . . . . 0.0 111.825 169.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -149.54 97.15 2.59 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.521 1.928 . . . . 0.0 112.768 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -61.6 -23.66 66.17 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.617 1.567 . . . . 0.0 114.198 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.84 -20.05 33.35 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 -171.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -81.08 -17.58 49.56 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.265 1.426 . . . . 0.0 113.56 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 85.5 m-85 -78.48 154.29 30.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.216 1.006 . . . . 0.0 112.671 -177.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -139.55 -30.26 0.71 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.123 0.969 . . . . 0.0 113.034 -168.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -153.73 175.01 13.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 171.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -143.8 154.72 43.7 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.713 1.605 . . . . 0.0 112.342 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.7 137.28 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.416 1.486 . . . . 0.0 109.395 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.4 mt -122.18 134.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.769 1.628 . . . . 0.0 108.48 -164.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.7 mt -121.83 132.84 54.8 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.255 1.422 . . . . 0.0 110.083 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.4 p -124.19 174.54 7.61 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 122.195 0.998 . . . . 0.0 113.202 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -54.63 165.56 0.57 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 121.113 -0.992 . . . . 0.0 110.422 159.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 56.23 30.32 16.41 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 175.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 64.87 10.59 6.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.38 2.672 . . . . 0.0 116.963 172.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.05 147.48 50.77 Favored Glycine 0 CA--C 1.542 1.728 0 N-CA-C 115.562 0.985 . . . . 0.0 115.562 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -138.36 131.27 29.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.441 2.296 . . . . 0.0 109.057 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -141.35 143.98 34.3 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.488 1.115 . . . . 0.0 111.117 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 t -131.52 132.99 44.62 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.273 1.029 . . . . 0.0 112.343 -175.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.5 t -143.04 137.83 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.998 1.319 . . . . 0.0 110.614 -170.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -87.91 155.97 19.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 123.146 1.45 . . . . 0.0 112.764 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.7 mt -113.24 -1.74 14.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.065 1.746 . . . . 0.0 112.211 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -56.58 -35.07 67.79 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.636 0.774 . . . . 0.0 111.784 167.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.2 p -144.94 165.47 22.19 Favored Pre-proline 0 N--CA 1.469 0.513 0 C-N-CA 126.257 1.823 . . . . 0.0 109.253 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.77 134.99 64.09 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 122.502 2.135 . . . . 0.0 110.465 160.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -58.91 156.57 11.24 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.53 144.86 50.49 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.093 0.957 . . . . 0.0 112.699 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -59.0 -30.17 67.79 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.925 -1.109 . . . . 0.0 112.017 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.46 -22.16 66.2 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.734 1.614 . . . . 0.0 112.827 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -97.14 -29.29 13.69 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.218 1.807 . . . . 0.0 111.15 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.81 -43.45 94.5 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.636 1.107 . . . . 0.0 111.681 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -80.65 3.26 22.62 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -83.65 145.86 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 120.478 1.49 . . . . 0.0 111.623 -173.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.88 149.74 49.44 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.013 1.325 . . . . 0.0 113.842 -173.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.5 mt -105.38 116.82 32.6 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.256 1.422 . . . . 0.0 111.781 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.0 -25.23 65.1 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.268 1.827 . . . . 0.0 114.13 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -175.06 179.37 46.38 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.103 0.859 . . . . 0.0 114.421 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -65.57 156.14 33.59 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.368 1.467 . . . . 0.0 113.845 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.8 ttt -69.3 73.48 0.33 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.271 2.228 . . . . 0.0 113.778 -175.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.69 -56.43 19.3 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.886 -1.134 . . . . 0.0 112.718 174.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -151.59 161.66 42.29 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.477 1.035 . . . . 0.0 112.565 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.2 m -138.78 144.77 39.52 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.975 1.31 . . . . 0.0 109.696 171.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -125.7 138.5 53.88 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.795 2.038 . . . . 0.0 109.718 -172.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -129.54 143.35 50.79 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.852 0.861 . . . . 0.0 111.799 -171.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -128.96 127.73 42.29 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.318 1.047 . . . . 0.0 111.21 -163.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 36.3 mttt -67.85 161.24 26.73 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.175 0.512 . . . . 0.0 111.612 172.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -51.76 123.53 10.38 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.251 1.02 . . . . 0.0 112.129 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.83 -2.86 47.55 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.871 1.508 . . . . 0.0 116.871 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -85.63 165.48 16.98 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.733 1.766 . . . . 0.0 112.617 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 p -136.08 1.37 2.71 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.975 1.71 . . . . 0.0 114.773 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -127.53 132.93 49.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.798 1.239 . . . . 0.0 109.477 165.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 p -63.78 154.92 31.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -170.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 t -123.6 -16.73 6.66 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 110' ' ' ILE . 69.8 t80 -135.31 132.78 38.12 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 126.362 1.865 . . . . 0.0 107.426 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.565 HG22 ' OD1' ' B' ' 15' ' ' ASP . 4.0 m -138.94 162.42 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 123.169 1.461 . . . . 0.0 113.095 177.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.451 HD11 ' CE2' ' A' ' 108' ' ' TYR . 5.8 mt -149.05 141.72 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.9 -169.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -113.64 148.07 36.95 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.432 1.493 . . . . 0.0 110.453 -170.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.19 -172.44 18.15 Favored Glycine 0 CA--C 1.528 0.849 0 O-C-N 121.975 -0.453 . . . . 0.0 112.881 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.65 126.97 16.28 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.866 1.711 . . . . 0.0 110.428 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.88 -37.51 0.34 Allowed Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.702 1.62 . . . . 0.0 114.12 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 50.33 -15.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 130.012 3.325 . . . . 0.0 119.886 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.1 t -163.26 145.4 9.95 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.396 1.453 . . . . 0.0 110.467 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -76.92 -19.89 56.85 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.516 -0.74 . . . . 0.0 112.38 170.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 CA--C 1.549 0.942 0 C-N-CA 127.177 2.191 . . . . 0.0 114.906 -168.05 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.596 0 N-CA-C 118.429 2.132 . . . . 0.0 118.429 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 . . . . . 0 N--CA 1.475 0.789 0 O-C-N 121.155 -1.203 . . . . 0.0 112.327 170.02 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . 0.565 ' OD1' HG22 ' A' ' 109' ' ' VAL . 3.4 m-20 . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -135.91 -17.7 1.64 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.46 12.24 2.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.542 1.537 . . . . 0.0 113.803 -176.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -135.99 57.05 1.8 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.837 2.055 . . . . 0.0 109.481 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.5 t -119.33 157.2 28.6 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.005 1.322 . . . . 0.0 111.591 -173.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.1 tp -99.36 117.29 33.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 167.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 111.43 17.94 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.222 1.01 . . . . 0.0 109.818 160.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.538 0.493 0 C-N-CA 124.493 1.117 . . . . 0.0 110.256 165.833 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 122.027 0.917 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.85 -36.3 72.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.026 1.33 . . . . 0.0 112.391 175.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.05 -48.85 57.68 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 123.703 0.668 . . . . 0.0 113.334 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.3 -33.06 69.37 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.527 -0.984 . . . . 0.0 113.138 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.45 -41.67 98.91 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.986 0.812 . . . . 0.0 111.757 171.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.44 -35.25 77.06 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.169 0.895 . . . . 0.0 113.142 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.03 -43.21 93.16 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.526 0.73 . . . . 0.0 111.213 172.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -62.8 -49.69 73.94 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.473 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.32 -32.78 74.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 120.162 1.347 . . . . 0.0 113.135 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -64.06 -37.39 87.27 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.239 0.927 . . . . 0.0 111.718 167.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -67.66 -47.51 69.31 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.471 -0.775 . . . . 0.0 112.201 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -53.08 -44.23 67.37 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.727 1.211 . . . . 0.0 111.169 171.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.62 -56.79 10.3 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.23 -42.78 88.19 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.359 0.527 . . . . 0.0 111.509 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -74.96 -13.81 60.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.213 1.005 . . . . 0.0 113.464 176.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.53 -28.31 4.35 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -170.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.3 p -115.52 172.69 6.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 119.487 1.643 . . . . 0.0 113.317 -167.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.69 -46.06 80.47 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.05 -38.87 1.22 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 -174.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t 59.61 -34.51 0.06 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.253 2.221 . . . . 0.0 115.868 -163.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.18 -10.75 24.97 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -93.96 -10.26 34.31 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -71.32 144.17 50.04 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.188 0.904 . . . . 0.0 112.116 172.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -122.74 -37.83 2.71 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.906 1.682 . . . . 0.0 111.025 -171.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -143.05 169.68 17.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.71 0.767 . . . . 0.0 112.52 165.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -141.2 162.32 35.77 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.198 1.799 . . . . 0.0 111.262 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.66 HG11 HD23 ' B' ' 20' ' ' LEU . 8.9 p -138.05 141.55 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.011 1.324 . . . . 0.0 110.197 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.73 121.56 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.826 1.65 . . . . 0.0 108.289 -165.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp -118.13 111.21 18.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.005 1.722 . . . . 0.0 109.708 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.9 p -108.79 174.28 5.94 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.457 1.103 . . . . 0.0 112.367 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.71 164.13 0.15 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.396 -0.815 . . . . 0.0 110.996 160.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 62.1 31.89 17.66 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.587 1.155 . . . . 0.0 113.992 168.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 62.96 21.89 13.14 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.026 2.131 . . . . 0.0 113.55 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.7 124.57 24.33 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 168.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -142.05 123.15 14.61 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.246 1.818 . . . . 0.0 106.97 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -139.88 140.53 36.5 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.316 1.047 . . . . 0.0 110.231 -172.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -117.53 143.29 46.23 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.792 0.837 . . . . 0.0 111.593 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.0 t -143.02 127.21 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.512 1.925 . . . . 0.0 109.731 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -93.72 123.68 37.21 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.505 0.722 . . . . 0.0 109.455 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.8 mt -82.09 -10.28 59.25 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.199 1.4 . . . . 0.0 113.701 -171.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -63.65 -13.74 45.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.29 1.436 . . . . 0.0 114.236 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.8 p -147.1 155.95 46.96 Favored Pre-proline 0 C--O 1.238 0.46 0 C-N-CA 125.801 1.641 . . . . 0.0 110.513 -167.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -64.1 154.83 68.35 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.884 3.056 . . . . 0.0 112.056 169.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -62.6 162.37 10.64 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.945 1.298 . . . . 0.0 114.44 172.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.56 162.41 13.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.736 1.215 . . . . 0.0 111.7 161.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -58.66 -22.61 57.37 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.294 1.038 . . . . 0.0 113.741 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.46 -43.57 93.17 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.07 -1.019 . . . . 0.0 111.003 178.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -66.57 -34.49 78.02 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.143 0.977 . . . . 0.0 111.864 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -63.59 -11.37 24.33 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.148 0.979 . . . . 0.0 113.485 173.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -128.79 0.7 5.41 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.94 1.696 . . . . 0.0 114.132 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -91.04 120.44 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 120.759 1.618 . . . . 0.0 110.676 -175.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -77.12 101.47 6.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.746 1.618 . . . . 0.0 112.198 -172.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.5 mt -47.36 120.4 3.19 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.886 1.675 . . . . 0.0 112.281 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.75 -29.99 63.12 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.683 1.193 . . . . 0.0 114.029 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -151.12 -179.45 26.86 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.538 1.066 . . . . 0.0 114.944 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.44 152.46 45.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.594 1.158 . . . . 0.0 111.983 167.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.3 ttp -74.79 70.19 1.88 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.307 1.843 . . . . 0.0 113.872 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -59.0 -47.11 86.39 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -147.87 164.36 33.94 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.8 m -146.38 145.36 30.25 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.157 1.383 . . . . 0.0 109.612 171.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -134.34 147.23 50.51 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.111 0.965 . . . . 0.0 111.291 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -137.13 144.16 42.87 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.383 1.073 . . . . 0.0 112.354 -166.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.436 ' CZ ' HD13 ' B' ' 22' ' ' LEU . 50.4 m-85 -133.57 120.94 21.38 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.054 1.341 . . . . 0.0 109.465 -164.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -69.4 165.9 19.82 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.732 -0.605 . . . . 0.0 111.664 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -43.28 101.92 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.488 1.515 . . . . 0.0 112.997 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.89 -11.23 68.05 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.939 1.536 . . . . 0.0 116.939 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -63.37 165.09 8.09 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.402 2.101 . . . . 0.0 112.865 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -136.52 7.71 3.06 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.621 1.568 . . . . 0.0 113.054 168.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -135.63 136.26 40.85 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.89 -1.131 . . . . 0.0 109.462 163.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.46 126.99 31.2 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -165.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.1 t -81.41 -26.92 35.02 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.12 1.368 . . . . 0.0 113.662 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -131.21 137.53 48.97 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.705 1.202 . . . . 0.0 109.658 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.457 HG23 ' NE2' ' B' ' 13' ' ' HIS . 12.0 m -141.32 163.51 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 122.536 1.16 . . . . 0.0 112.661 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 mt -144.33 144.93 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 125.268 1.427 . . . . 0.0 107.678 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -121.86 161.91 21.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.749 1.22 . . . . 0.0 111.99 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.94 -166.52 28.14 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 115.224 -0.898 . . . . 0.0 113.82 -173.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -72.44 133.13 20.22 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.019 2.479 . . . . 0.0 111.245 -173.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.21 -23.77 0.88 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 126.514 2.007 . . . . 0.0 113.957 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 76.8 tttt 59.93 -23.77 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 128.292 2.637 . . . . 0.0 117.234 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -161.78 158.24 25.41 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.815 1.646 . . . . 0.0 110.248 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -86.65 -2.29 58.39 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 167.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 CA--C 1.541 0.633 0 O-C-N 120.427 -1.421 . . . . 0.0 112.403 -163.882 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.38 0 N-CA-C 114.502 0.561 . . . . 0.0 114.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.457 ' NE2' HG23 ' A' ' 109' ' ' VAL . 36.7 p-80 . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 123.022 1.392 . . . . 0.0 114.359 176.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -138.43 12.61 2.77 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -140.78 -25.53 0.75 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 125.873 1.669 . . . . 0.0 114.631 -171.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -127.98 22.57 6.21 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.839 2.456 . . . . 0.0 111.685 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -55.47 162.61 1.51 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.471 1.908 . . . . 0.0 112.741 161.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.66 HD23 HG11 ' A' ' 63' ' ' VAL . 25.0 tp -108.69 128.15 54.61 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 125.999 1.72 . . . . 0.0 107.224 164.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.38 140.63 29.84 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.059 0.944 . . . . 0.0 111.125 169.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.436 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 2.0 mp . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 128.222 2.609 . . . . 0.0 113.313 -174.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.6 p . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 121.063 0.458 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -38.76 63.31 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.76 61.14 Favored Glycine 0 CA--C 1.538 1.524 0 CA-C-N 119.368 0.985 . . . . 0.0 114.984 172.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.91 -41.21 71.55 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.337 1.069 . . . . 0.0 112.267 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.5 tp -63.07 -42.22 99.62 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.615 0.643 . . . . 0.0 111.939 174.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.47 -39.38 83.48 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.74 1.154 . . . . 0.0 112.753 174.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.12 -46.91 86.94 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.363 0.528 . . . . 0.0 110.676 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -61.86 -41.57 98.01 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 123.829 0.852 . . . . 0.0 112.881 174.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.86 -35.23 76.66 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.252 1.387 . . . . 0.0 112.832 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -69.8 -31.31 69.14 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.642 -0.662 . . . . 0.0 111.254 170.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.64 -47.75 77.38 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.503 166.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CD1' HG21 ' A' ' 110' ' ' ILE . 5.1 m-85 -55.07 -32.81 62.23 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.77 1.228 . . . . 0.0 113.281 176.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.75 -51.02 62.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.53 1.059 . . . . 0.0 113.521 171.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -67.77 -41.15 83.72 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.232 0.924 . . . . 0.0 112.185 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -64.1 -28.62 69.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.935 2.094 . . . . 0.0 113.65 174.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.92 -9.12 5.36 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 117.182 1.633 . . . . 0.0 117.182 -160.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.2 p -120.53 158.09 28.04 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.251 1.525 . . . . 0.0 112.178 175.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.42 -34.87 76.77 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.152 0.581 . . . . 0.0 111.354 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -147.58 113.93 5.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.016 1.327 . . . . 0.0 112.723 173.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.7 p -76.59 -17.21 59.32 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.12 6.61 3.33 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -171.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -107.1 -11.32 15.66 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.005 1.722 . . . . 0.0 113.782 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 90.9 m-85 -87.41 144.08 26.93 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.863 0.865 . . . . 0.0 111.753 -173.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -124.44 -28.71 3.59 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.161 0.984 . . . . 0.0 111.916 -170.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -152.19 171.22 18.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 122.157 0.98 . . . . 0.0 113.138 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -145.41 159.84 42.47 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 126.275 1.83 . . . . 0.0 111.515 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.635 HG11 HD23 ' B' ' 20' ' ' LEU . 10.4 p -146.88 137.77 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 125.3 1.44 . . . . 0.0 109.397 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.4 mt -126.19 129.46 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.735 1.614 . . . . 0.0 109.565 -160.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 mt -121.48 130.67 53.7 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.014 1.326 . . . . 0.0 110.836 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.5 p -121.5 174.92 6.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.694 1.198 . . . . 0.0 112.405 -172.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -54.27 167.42 0.31 Allowed 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.73 -0.607 . . . . 0.0 109.668 160.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 58.48 26.42 14.23 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.146 0.978 . . . . 0.0 112.455 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt 42.98 35.76 0.8 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 129.641 3.176 . . . . 0.0 115.947 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.83 143.26 48.59 Favored Glycine 0 CA--C 1.534 1.229 0 N-CA-C 112.313 -0.315 . . . . 0.0 112.313 169.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -141.63 130.81 23.41 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.113 2.165 . . . . 0.0 108.178 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -147.84 130.06 15.57 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.313 1.045 . . . . 0.0 110.827 -176.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 m -108.53 141.36 40.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.22 1.008 . . . . 0.0 110.47 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.3 t -142.94 124.02 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.89 1.276 . . . . 0.0 109.238 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -74.92 147.97 40.49 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.926 0.869 . . . . 0.0 112.06 171.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.07 -10.81 15.8 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.728 2.011 . . . . 0.0 113.083 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.3 -15.21 23.16 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.118 0.872 . . . . 0.0 113.003 165.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.9 p -147.19 159.66 41.8 Favored Pre-proline 0 C--O 1.239 0.548 0 C-N-CA 127.361 2.265 . . . . 0.0 109.832 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.87 156.94 40.74 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 123.36 2.706 . . . . 0.0 112.321 162.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -66.99 149.4 50.69 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.739 0.78 . . . . 0.0 112.92 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.23 150.94 33.0 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.361 1.064 . . . . 0.0 113.21 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -59.56 -22.93 62.43 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.076 -1.015 . . . . 0.0 113.358 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -61.13 -20.42 62.66 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.225 1.81 . . . . 0.0 113.405 171.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -118.2 -12.62 9.96 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.134 1.774 . . . . 0.0 113.773 -173.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -63.74 -22.67 67.02 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.667 -1.271 . . . . 0.0 114.093 -171.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -135.37 2.97 3.05 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.779 1.232 . . . . 0.0 113.352 -171.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.76 137.85 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.587 1.155 . . . . 0.0 111.442 -176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.64 126.99 33.41 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.83 0.824 . . . . 0.0 112.877 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.52 138.64 58.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.174 2.19 . . . . 0.0 112.853 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 mt -63.64 -21.95 66.64 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -172.51 -175.54 40.59 Favored Glycine 0 CA--C 1.527 0.817 0 CA-C-N 119.559 1.072 . . . . 0.0 113.784 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -58.5 141.14 52.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.407 1.483 . . . . 0.0 110.555 172.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 58.5 ttp -63.52 130.82 45.98 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.346 -0.846 . . . . 0.0 110.616 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -111.88 -38.48 4.81 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.338 0.517 . . . . 0.0 112.07 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -158.44 153.53 25.39 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.0 m -134.95 147.15 49.7 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.156 1.382 . . . . 0.0 109.102 171.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -127.96 137.59 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.812 1.645 . . . . 0.0 109.772 -174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -131.46 142.92 50.09 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.888 1.275 . . . . 0.0 111.918 -170.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -131.75 124.19 29.21 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 125.441 1.496 . . . . 0.0 108.503 -163.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -64.95 167.17 8.11 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.333 0.515 . . . . 0.0 111.282 170.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -36.93 112.08 0.18 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.653 1.581 . . . . 0.0 113.315 168.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.83 -1.12 85.07 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.562 1.553 . . . . 0.0 116.547 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -73.56 148.15 43.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.025 1.913 . . . . 0.0 113.38 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 72.4 p -126.2 3.62 7.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.26 1.424 . . . . 0.0 113.652 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -137.86 123.51 19.8 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.406 1.483 . . . . 0.0 107.745 165.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.3 p -54.71 158.75 2.47 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -169.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t -124.59 -17.52 5.95 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.327 1.451 . . . . 0.0 114.117 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -133.3 141.69 48.09 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.39 1.476 . . . . 0.0 107.745 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.421 HG23 ' NE2' ' B' ' 13' ' ' HIS . 3.1 m -146.24 153.39 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 124.989 1.316 . . . . 0.0 111.535 -171.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.42 HG21 ' CD1' ' A' ' 48' ' ' TYR . 4.7 mt -145.6 126.55 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -175.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -93.07 162.88 13.86 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.943 0.497 . . . . 0.0 110.3 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.16 167.25 28.97 Favored Glycine 0 CA--C 1.535 1.335 0 O-C-N 121.76 -0.588 . . . . 0.0 114.453 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.54 36.57 0.62 Allowed 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 124.538 3.492 . . . . 0.0 113.937 -166.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.95 -14.81 57.33 Favored Glycine 0 CA--C 1.533 1.217 0 O-C-N 121.07 -1.019 . . . . 0.0 113.583 173.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 53.71 -5.94 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 128.534 2.733 . . . . 0.0 117.743 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -175.1 160.47 2.74 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.851 2.46 . . . . 0.0 108.896 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -82.2 -19.93 38.81 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 121.228 -0.92 . . . . 0.0 112.057 163.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 126.211 1.804 . . . . 0.0 114.397 -170.019 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.136 0 N-CA-C 115.867 1.107 . . . . 0.0 115.867 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.421 ' NE2' HG23 ' A' ' 109' ' ' VAL . 40.5 p-80 . . . . . 0 N--CA 1.466 0.345 0 O-C-N 121.228 -1.16 . . . . 0.0 111.016 165.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 t0 . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 121.198 0.523 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -142.28 2.14 1.45 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.386 1.875 . . . . 0.0 112.557 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -90.57 -18.36 25.36 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -120.21 -0.07 10.55 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.039 1.335 . . . . 0.0 113.213 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -49.36 149.28 2.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.871 2.068 . . . . 0.0 114.57 -168.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.635 HD23 HG11 ' A' ' 63' ' ' VAL . 31.7 tp -92.28 117.22 29.68 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 167.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.5 85.98 4.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.642 2.377 . . . . 0.0 111.419 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 N--CA 1.473 0.719 0 C-N-CA 125.709 1.604 . . . . 0.0 111.261 178.146 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 121.684 0.754 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.55 -41.5 66.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.581 1.552 . . . . 0.0 112.835 -176.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.23 -39.12 94.16 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.964 0.792 . . . . 0.0 114.432 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -77.19 -36.69 54.74 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.724 -0.868 . . . . 0.0 111.551 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.32 -44.46 92.57 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 118.562 -0.732 . . . . 0.0 112.64 166.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -55.48 -42.65 74.66 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.111 1.364 . . . . 0.0 112.677 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.51 -36.73 85.16 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.057 -0.402 . . . . 0.0 111.169 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -69.48 -42.5 74.75 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.839 0.856 . . . . 0.0 111.966 172.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.47 -39.13 88.63 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.338 1.427 . . . . 0.0 113.521 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.9 mtt-85 -63.8 -31.17 72.27 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.443 0.565 . . . . 0.0 111.11 170.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.01 -41.93 70.25 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.709 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -58.68 -31.74 68.49 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 120.915 1.688 . . . . 0.0 113.019 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.85 -51.08 61.88 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.124 -0.985 . . . . 0.0 113.249 171.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.25 -44.98 86.42 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.641 0.655 . . . . 0.0 112.094 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -61.11 -27.05 68.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.842 1.657 . . . . 0.0 113.816 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.65 -3.89 8.32 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 116.66 1.424 . . . . 0.0 116.66 -161.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.8 p -132.62 156.93 46.02 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 120.395 2.098 . . . . 0.0 111.339 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -63.84 -31.28 72.4 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 117.469 -1.253 . . . . 0.0 113.501 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.85 -21.46 3.04 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 118.474 2.768 . . . . 0.0 118.474 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.6 p 41.59 32.34 0.24 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.15 -21.09 0.63 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -168.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -69.84 -18.39 63.44 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.536 1.934 . . . . 0.0 112.892 171.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.0 m-85 -77.97 151.35 33.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.767 2.027 . . . . 0.0 112.23 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -123.52 -28.58 3.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.033 0.933 . . . . 0.0 113.341 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -155.53 169.24 24.75 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.345 1.458 . . . . 0.0 111.977 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -145.99 156.51 43.54 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.225 1.81 . . . . 0.0 110.855 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.631 HG11 HD23 ' B' ' 20' ' ' LEU . 11.5 p -143.59 142.11 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.401 1.08 . . . . 0.0 110.055 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.0 mt -127.42 124.92 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 125.37 1.468 . . . . 0.0 107.505 -163.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.6 mt -118.55 129.13 55.17 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.506 0.722 . . . . 0.0 109.685 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.5 p -119.14 171.36 8.33 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.952 -169.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.97 159.83 1.09 Allowed 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.694 -0.629 . . . . 0.0 109.672 160.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 65.82 33.61 7.96 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.344 1.058 . . . . 0.0 113.554 170.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 61.51 38.06 16.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.889 2.076 . . . . 0.0 113.935 170.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.93 141.07 18.32 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 123.714 0.673 . . . . 0.0 113.6 171.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -139.59 128.48 23.47 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 128.452 2.701 . . . . 0.0 106.848 170.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.54 134.87 31.23 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.897 0.879 . . . . 0.0 110.304 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.0 t -122.25 139.54 53.66 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.498 1.119 . . . . 0.0 111.495 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.6 t -144.22 131.92 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.364 1.466 . . . . 0.0 110.296 -173.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -81.23 138.59 35.78 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 122.032 0.92 . . . . 0.0 111.921 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.5 mt -90.12 -14.0 34.58 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.975 1.71 . . . . 0.0 111.902 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -55.75 -28.45 55.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.974 1.31 . . . . 0.0 112.857 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.1 p -148.86 169.34 9.31 Favored Pre-proline 0 CA--C 1.54 0.592 0 C-N-CA 127.492 2.317 . . . . 0.0 109.77 -171.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -70.26 151.41 66.22 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 123.016 2.477 . . . . 0.0 111.301 164.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -76.53 155.24 33.88 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.783 0.801 . . . . 0.0 112.929 173.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.17 143.7 57.56 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.455 1.102 . . . . 0.0 112.409 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -57.05 -35.03 68.85 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 120.468 -1.395 . . . . 0.0 114.128 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -71.49 -13.96 61.97 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.918 -1.114 . . . . 0.0 112.885 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -96.19 -33.47 12.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.049 1.74 . . . . 0.0 111.548 168.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -56.38 -41.21 75.87 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 120.148 1.34 . . . . 0.0 111.665 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -83.71 -3.51 57.85 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 p -79.39 139.89 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.683 1.583 . . . . 0.0 110.527 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -81.22 137.91 35.83 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.188 0.994 . . . . 0.0 112.41 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.7 132.01 44.75 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.396 1.878 . . . . 0.0 110.691 174.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.8 -30.65 65.86 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -162.86 -172.25 30.1 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.79 1.186 . . . . 0.0 113.032 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -65.42 151.33 46.58 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.183 1.393 . . . . 0.0 113.071 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 36.6 ttp -70.07 69.45 0.34 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.109 2.163 . . . . 0.0 113.802 -174.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.26 -48.57 45.72 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.243 1.017 . . . . 0.0 112.387 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.52 ' HE2' ' CE2' ' A' ' 97' ' ' TYR . 63.4 tttt -163.88 156.11 17.28 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -139.39 149.94 44.71 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.853 1.661 . . . . 0.0 109.708 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.52 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 4.4 m-85 -133.69 150.24 51.53 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.616 1.566 . . . . 0.0 111.784 -174.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -141.49 145.47 35.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.597 1.159 . . . . 0.0 112.683 -168.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.43 ' HE1' HG12 ' A' ' 63' ' ' VAL . 31.0 m-85 -135.88 128.83 31.34 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.256 1.422 . . . . 0.0 110.005 -163.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -69.44 162.22 27.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.688 0.795 . . . . 0.0 111.253 171.723 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -44.51 109.43 0.16 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.521 1.528 . . . . 0.0 112.113 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.71 -6.39 70.33 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.016 1.293 . . . . 0.0 116.303 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -76.12 154.46 35.48 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.189 1.995 . . . . 0.0 113.465 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 m -135.47 12.65 3.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.976 2.51 . . . . 0.0 112.481 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -142.25 130.94 22.71 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.939 2.096 . . . . 0.0 107.865 163.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -61.7 163.38 7.33 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -169.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.3 t -127.68 -15.14 5.03 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.503 1.521 . . . . 0.0 113.093 173.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -139.13 134.78 33.31 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.843 1.657 . . . . 0.0 108.346 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.478 HG23 ' NE2' ' B' ' 13' ' ' HIS . 16.1 m -142.96 160.84 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.829 1.251 . . . . 0.0 111.98 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.3 mt -146.0 130.93 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -172.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -96.51 167.08 11.37 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.458 0.703 . . . . 0.0 110.761 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.03 -166.25 21.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 121.871 -0.518 . . . . 0.0 113.311 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -68.81 124.38 11.41 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.146 2.564 . . . . 0.0 110.461 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 148.82 126.39 1.52 Allowed Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.763 2.125 . . . . 0.0 108.929 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -99.3 -21.82 15.88 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -165.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -167.11 150.22 6.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.481 1.513 . . . . 0.0 108.576 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -71.74 -23.19 61.57 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.595 -0.691 . . . . 0.0 112.262 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -168.299 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.55 0 N-CA-C 115.64 1.016 . . . . 0.0 115.64 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.478 ' NE2' HG23 ' A' ' 109' ' ' VAL . 33.4 p-80 . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 122.836 1.303 . . . . 0.0 112.942 169.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -136.59 -11.28 1.84 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.555 1.142 . . . . 0.0 114.002 167.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.61 -8.69 0.56 Allowed 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 172.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -87.91 4.59 44.21 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.905 0.775 . . . . 0.0 112.715 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -54.04 163.18 0.81 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.012 2.125 . . . . 0.0 115.718 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.631 HD23 HG11 ' A' ' 63' ' ' VAL . 52.3 tp -110.1 126.93 54.55 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.802 1.641 . . . . 0.0 106.788 160.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -82.45 121.59 26.94 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 125.386 1.474 . . . . 0.0 110.311 166.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 125.62 1.568 . . . . 0.0 110.505 170.357 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.2 p . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 121.649 0.738 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -39.62 79.88 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -168.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.32 -47.18 92.09 Favored Glycine 0 N--CA 1.476 1.307 0 CA-C-N 119.965 1.257 . . . . 0.0 114.923 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -62.23 -40.11 95.06 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 117.89 0.845 . . . . 0.0 111.483 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.48 -48.85 73.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.694 0.798 . . . . 0.0 112.337 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.1 -42.03 80.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.629 1.572 . . . . 0.0 112.651 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.67 -32.85 74.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.855 0.462 . . . . 0.0 112.143 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -69.56 -50.74 41.84 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.282 0.633 . . . . 0.0 110.755 169.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.01 -38.44 86.09 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.5 1.52 . . . . 0.0 113.748 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -61.63 -36.82 81.87 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.537 0.608 . . . . 0.0 111.075 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -70.97 -33.29 70.3 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.102 -0.951 . . . . 0.0 113.399 172.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -56.21 -40.07 73.46 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.249 1.386 . . . . 0.0 112.908 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.81 -42.11 98.6 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.133 0.879 . . . . 0.0 112.474 176.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -67.67 -41.09 84.3 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.481 1.037 . . . . 0.0 112.179 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -69.49 -15.65 63.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.54 1.936 . . . . 0.0 114.456 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.01 -38.9 0.44 Allowed Glycine 0 CA--C 1.536 1.398 0 N-CA-C 115.897 1.119 . . . . 0.0 115.897 -164.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.8 p -99.89 167.73 10.33 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.822 1.311 . . . . 0.0 113.067 -172.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -74.78 -31.24 61.7 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.216 1.007 . . . . 0.0 112.711 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -154.41 115.88 4.12 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.313 2.245 . . . . 0.0 111.807 172.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.0 p -74.65 -17.64 60.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.57 -13.11 59.75 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -168.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -75.13 -17.22 60.46 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.213 1.005 . . . . 0.0 113.16 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 97.2 m-85 -79.5 152.03 30.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.706 1.202 . . . . 0.0 112.199 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -134.38 -38.74 0.84 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.472 1.109 . . . . 0.0 112.404 -168.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -144.7 172.46 12.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 166.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -143.6 155.84 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.971 1.708 . . . . 0.0 110.963 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.633 HG11 HD23 ' B' ' 20' ' ' LEU . 12.6 p -140.09 136.85 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.145 1.378 . . . . 0.0 109.957 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.6 mt -119.38 123.12 70.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 125.567 1.547 . . . . 0.0 107.604 -164.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.38 114.81 27.14 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.998 0.919 . . . . 0.0 109.595 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.9 p -101.8 168.54 9.38 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.46 0.648 . . . . 0.0 111.163 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -56.24 165.05 1.12 Allowed 'General case' 0 CA--C 1.551 1.008 0 O-C-N 121.332 -0.855 . . . . 0.0 110.15 160.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 62.33 32.72 16.86 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.382 1.073 . . . . 0.0 113.107 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt 53.7 23.92 3.98 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 128.206 2.602 . . . . 0.0 116.142 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.12 138.69 48.61 Favored Glycine 0 CA--C 1.534 1.274 0 O-C-N 121.453 -0.779 . . . . 0.0 112.302 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -145.27 120.74 10.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.338 2.255 . . . . 0.0 107.128 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -139.24 142.36 37.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.881 1.272 . . . . 0.0 109.093 -176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 t -134.92 138.14 43.8 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.884 1.22 . . . . 0.0 112.064 -175.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.3 t -143.01 121.19 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.703 1.201 . . . . 0.0 110.549 -168.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -68.92 127.29 32.57 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.669 0.747 . . . . 0.0 111.003 167.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.5 mt -78.43 -23.51 46.61 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.191 1.796 . . . . 0.0 112.089 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -56.08 -19.81 14.62 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.696 1.598 . . . . 0.0 114.108 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.9 p -137.76 157.59 73.17 Favored Pre-proline 0 C--O 1.24 0.57 0 C-N-CA 125.766 1.626 . . . . 0.0 109.965 -175.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.86 145.2 73.79 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.505 2.136 . . . . 0.0 110.649 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.08 132.31 47.02 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.334 1.053 . . . . 0.0 111.335 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.82 143.06 56.9 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -62.31 -26.3 68.35 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 -167.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.55 -39.0 65.05 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.011 -1.056 . . . . 0.0 112.111 170.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -69.45 -29.64 67.38 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.204 1.402 . . . . 0.0 111.337 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -56.71 -22.87 38.29 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.761 0.824 . . . . 0.0 113.029 169.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -124.17 22.34 8.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.359 1.464 . . . . 0.0 112.461 -166.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 p -96.67 136.1 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.589 0.756 . . . . 0.0 110.863 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -67.39 146.74 53.74 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.767 1.227 . . . . 0.0 112.847 176.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.88 146.02 26.35 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.151 1.38 . . . . 0.0 111.499 174.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.77 -23.32 52.95 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.309 1.444 . . . . 0.0 114.811 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.26 -177.02 37.37 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.412 1.006 . . . . 0.0 111.921 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -60.94 147.0 44.8 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.043 1.337 . . . . 0.0 112.727 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.01 62.72 0.05 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.803 2.441 . . . . 0.0 113.717 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.433 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 9.0 t80 -56.27 -46.99 79.45 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.003 -1.06 . . . . 0.0 112.15 -175.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.433 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 29.1 pttt -160.28 166.77 28.9 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 166.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.7 m -134.08 148.02 50.96 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.754 2.022 . . . . 0.0 109.633 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -123.63 151.5 42.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.7 1.6 . . . . 0.0 111.57 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -138.6 146.65 42.03 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 125.341 1.456 . . . . 0.0 111.345 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.422 ' HE1' HG12 ' A' ' 63' ' ' VAL . 30.5 m-85 -133.68 131.93 40.07 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 125.125 1.37 . . . . 0.0 109.58 -167.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -72.08 166.27 22.61 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 172.263 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -47.01 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.517 1.927 . . . . 0.0 111.886 173.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.21 -3.79 47.88 Favored Glycine 0 CA--C 1.542 1.759 0 C-N-CA 125.779 1.657 . . . . 0.0 117.157 177.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -72.78 163.58 27.89 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.917 1.859 . . . . 0.0 113.982 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.0 p -144.26 11.57 1.53 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.26 1.824 . . . . 0.0 114.338 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -143.32 134.68 26.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.621 1.968 . . . . 0.0 106.968 160.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -59.59 163.98 3.86 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -166.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.8 t -126.76 -16.86 5.11 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 169.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -131.95 143.58 50.21 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.299 1.04 . . . . 0.0 109.962 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.44 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -151.03 152.38 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.723 0 C-N-CA 125.147 1.379 . . . . 0.0 111.461 -176.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.9 mt -143.02 136.22 25.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -166.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -103.38 161.05 14.17 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.075 1.35 . . . . 0.0 111.013 -174.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -161.94 -161.15 11.59 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.727 -0.485 . . . . 0.0 113.65 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -61.82 135.34 55.37 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.511 2.141 . . . . 0.0 109.808 172.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.74 161.49 11.16 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 127.863 2.649 . . . . 0.0 110.209 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -139.3 -9.26 1.28 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -173.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t -166.04 149.88 7.79 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.8 1.24 . . . . 0.0 110.12 173.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -71.69 -27.66 63.19 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.512 -0.742 . . . . 0.0 112.115 169.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 CA--C 1.548 0.872 0 C-N-CA 125.847 1.659 . . . . 0.0 113.409 -173.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.454 0 CA-C-O 120.06 -0.3 . . . . 0.0 112.781 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.44 ' NE2' HG13 ' A' ' 109' ' ' VAL . 46.9 p-80 . . . . . 0 N--CA 1.466 0.374 0 CA-C-N 118.506 1.153 . . . . 0.0 113.927 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 115.043 1.498 . . . . 0.0 115.043 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -135.9 27.21 3.28 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.08 1.752 . . . . 0.0 112.249 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -169.72 -38.29 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.388 1.475 . . . . 0.0 114.272 -174.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -67.84 -27.96 67.15 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.708 0.803 . . . . 0.0 112.67 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.5 t -42.35 144.06 0.55 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.929 2.092 . . . . 0.0 116.463 -163.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.633 HD23 HG11 ' A' ' 63' ' ' VAL . 53.4 tp -95.55 125.63 40.29 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.621 1.168 . . . . 0.0 108.667 165.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.7 119.99 23.39 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.883 2.473 . . . . 0.0 111.605 166.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 CA--C 1.55 0.969 0 C-N-CA 128.155 2.582 . . . . 0.0 111.367 169.508 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.4 p . . . . . 0 N--CA 1.472 0.654 0 CA-C-O 121.41 0.624 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -38.52 63.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.793 0.837 . . . . 0.0 112.551 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.94 -36.46 51.01 Favored Glycine 0 CA--C 1.54 1.617 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -69.22 -31.25 69.7 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 118.826 1.313 . . . . 0.0 112.546 176.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 tt -84.66 -44.72 13.17 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.503 1.521 . . . . 0.0 111.715 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.57 -42.7 67.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.578 1.551 . . . . 0.0 112.582 173.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -65.73 -33.56 76.15 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.85 -0.531 . . . . 0.0 111.233 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -72.98 -41.85 63.91 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.635 -0.666 . . . . 0.0 111.319 172.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.51 -38.13 88.73 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 120.085 1.311 . . . . 0.0 113.721 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -61.05 -23.59 65.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.586 1.154 . . . . 0.0 111.891 169.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -87.3 -33.71 19.13 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 169.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -54.03 -44.84 71.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 121.293 1.861 . . . . 0.0 114.021 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.82 -43.37 98.98 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.502 -0.748 . . . . 0.0 112.009 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -66.5 -39.33 88.65 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.52 1.054 . . . . 0.0 112.345 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -64.5 -31.02 72.06 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.188 1.795 . . . . 0.0 113.479 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.23 -28.54 1.0 Allowed Glycine 0 CA--C 1.536 1.357 0 N-CA-C 117.06 1.584 . . . . 0.0 117.06 -160.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.493 HG22 ' CE1' ' A' ' 108' ' ' TYR . 43.8 p -86.42 172.46 10.36 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.783 1.791 . . . . 0.0 111.497 177.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -80.34 -28.23 38.17 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.811 -0.556 . . . . 0.0 112.454 167.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -152.9 118.12 5.2 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.414 1.886 . . . . 0.0 112.061 171.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.1 t -81.19 -18.51 45.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.08 1.352 . . . . 0.0 114.184 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.79 -8.43 48.15 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -171.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -87.2 -16.01 36.57 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.939 -1.101 . . . . 0.0 113.716 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 99.3 m-85 -83.34 146.23 28.61 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.397 0.999 . . . . 0.0 112.183 -173.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -115.15 -28.03 7.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.784 0.833 . . . . 0.0 113.058 -173.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -160.81 175.25 12.78 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.824 1.65 . . . . 0.0 112.06 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -154.37 159.82 41.35 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.217 1.807 . . . . 0.0 112.621 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.652 HG11 HD23 ' B' ' 20' ' ' LEU . 9.3 p -148.48 148.95 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.873 1.269 . . . . 0.0 110.074 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.6 mt -130.61 136.36 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 125.845 1.658 . . . . 0.0 108.829 -166.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -118.35 129.17 55.28 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.651 1.58 . . . . 0.0 108.584 172.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p -121.17 164.99 16.03 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 122.479 1.133 . . . . 0.0 112.585 -173.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.64 163.98 3.92 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.583 160.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 52.65 31.98 11.11 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.263 1.425 . . . . 0.0 113.935 -166.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 60.03 28.67 18.23 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.822 2.449 . . . . 0.0 115.398 168.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.06 155.42 42.39 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 114.503 0.561 . . . . 0.0 114.503 174.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -142.26 134.38 27.49 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.72 2.408 . . . . 0.0 108.351 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -144.53 141.76 29.73 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.134 0.974 . . . . 0.0 110.529 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 t -135.03 132.05 37.8 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.687 1.195 . . . . 0.0 110.028 -172.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.4 t -145.86 140.87 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.509 1.124 . . . . 0.0 110.383 -171.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -89.73 149.13 22.88 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 122.08 0.943 . . . . 0.0 112.794 175.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.56 -18.2 13.79 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.388 2.275 . . . . 0.0 111.868 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -58.57 -15.67 12.42 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.315 1.046 . . . . 0.0 113.504 164.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -142.42 147.55 43.66 Favored Pre-proline 0 C--O 1.239 0.523 0 C-N-CA 125.526 1.53 . . . . 0.0 110.415 -171.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.81 133.23 40.86 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.741 2.294 . . . . 0.0 109.857 159.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.68 145.39 47.25 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.434 0.561 . . . . 0.0 112.256 175.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.1 160.1 32.67 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.87 -31.3 71.56 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -171.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -69.12 -37.74 78.5 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.75 1.614 . . . . 0.0 111.213 171.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -69.65 -29.39 66.84 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.187 1.395 . . . . 0.0 111.181 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -63.25 -21.69 66.4 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 167.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -120.58 1.86 10.64 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.517 1.127 . . . . 0.0 113.889 -167.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.31 142.19 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 119.13 0.877 . . . . 0.0 111.934 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -61.19 151.98 30.01 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -176.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.9 mt -117.83 119.13 33.95 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.262 1.825 . . . . 0.0 110.747 175.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.51 -28.51 70.0 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.93 -172.95 38.36 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 119.18 0.9 . . . . 0.0 114.013 -177.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -67.27 149.97 49.68 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.459 1.504 . . . . 0.0 112.091 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 38.5 ttp -74.01 66.38 1.19 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.485 1.914 . . . . 0.0 114.653 -173.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.84 -55.32 10.02 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.885 1.274 . . . . 0.0 114.332 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -150.25 154.58 38.17 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.621 1.101 . . . . 0.0 112.468 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 m -140.99 149.75 42.18 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.49 1.116 . . . . 0.0 110.218 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -135.96 148.75 48.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.35 1.06 . . . . 0.0 111.309 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -143.66 147.97 35.1 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.362 1.465 . . . . 0.0 111.795 -170.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -138.55 135.36 34.97 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.677 1.191 . . . . 0.0 110.115 -162.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 31.8 mttt -75.17 168.06 20.71 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -59.43 74.69 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 128.721 2.808 . . . . 0.0 114.444 175.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.36 26.62 0.73 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.528 2.013 . . . . 0.0 114.008 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -139.11 143.39 38.23 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.538 1.669 . . . . 0.0 112.442 -169.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.9 m -139.55 28.88 2.18 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.41 1.084 . . . . 0.0 112.316 175.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -146.56 119.84 8.95 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 160.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -48.61 159.41 0.23 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -160.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 t -124.24 -14.44 6.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.876 1.271 . . . . 0.0 112.586 168.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.493 ' CE1' HG22 ' A' ' 53' ' ' THR . 38.1 t80 -136.52 136.13 39.11 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.618 1.167 . . . . 0.0 108.65 177.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.473 HG23 ' NE2' ' B' ' 13' ' ' HIS . 20.1 m -140.68 160.04 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 124.631 1.172 . . . . 0.0 111.531 178.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.4 mt -141.99 133.79 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -165.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -98.96 111.6 23.95 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.41 -171.95 23.04 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.93 120.33 6.98 Favored 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.421 2.081 . . . . 0.0 109.384 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.7 135.52 2.99 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 126.807 2.146 . . . . 0.0 110.187 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -110.81 -21.63 11.96 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -166.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -165.11 167.6 18.08 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.023 1.729 . . . . 0.0 108.883 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -80.73 -17.62 50.42 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.961 -1.087 . . . . 0.0 113.455 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 117.813 2.523 . . . . 0.0 117.813 -163.388 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.28 0 N-CA-C 113.68 0.232 . . . . 0.0 113.68 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.473 ' NE2' HG23 ' A' ' 109' ' ' VAL . 36.1 p-80 . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 122.25 1.024 . . . . 0.0 112.21 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -147.27 35.68 0.9 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.327 0.651 . . . . 0.0 112.427 165.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -160.27 -27.63 0.06 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 -174.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.77 -23.19 21.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.964 0.906 . . . . 0.0 112.002 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -39.49 134.79 1.2 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 -160.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.652 HD23 HG11 ' A' ' 63' ' ' VAL . 47.2 tp -92.83 141.47 28.4 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.161 1.785 . . . . 0.0 107.636 166.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.58 142.09 35.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.69 1.196 . . . . 0.0 112.177 173.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 128.382 2.673 . . . . 0.0 114.124 -168.517 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.5 mt -51.74 -32.42 30.52 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-O 117.71 -1.138 . . . . 0.0 113.57 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.9 -37.1 52.34 Favored Glycine 0 CA--C 1.538 1.47 0 CA-C-N 120.39 1.45 . . . . 0.0 114.449 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -86.02 -38.46 17.86 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.846 1.323 . . . . 0.0 114.33 175.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.08 -39.5 90.14 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -59.32 -43.05 92.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.323 1.849 . . . . 0.0 113.009 171.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.63 -40.19 91.01 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.025 0.53 . . . . 0.0 111.013 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -64.67 -47.96 76.49 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.849 1.26 . . . . 0.0 112.417 171.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -66.29 -38.15 87.09 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.57 1.077 . . . . 0.0 113.372 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -61.25 -35.62 77.75 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.01 0.924 . . . . 0.0 110.74 171.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -70.56 -41.48 72.38 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -54.23 -31.23 52.76 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.51 -53.58 33.5 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.25 0.932 . . . . 0.0 112.517 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -63.09 -40.22 97.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.825 0.739 . . . . 0.0 112.072 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -77.87 -11.97 59.94 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.558 2.343 . . . . 0.0 115.215 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -135.41 -10.52 1.45 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 116.151 1.22 . . . . 0.0 116.151 -168.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.0 p -114.45 154.96 27.24 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.138 1.469 . . . . 0.0 111.414 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -65.39 -30.17 70.96 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.672 -0.643 . . . . 0.0 111.879 173.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -149.38 111.26 4.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.373 1.469 . . . . 0.0 112.035 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.7 t -70.69 -27.78 64.27 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.251 1.42 . . . . 0.0 114.219 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.8 -7.46 27.89 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -170.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -84.76 -15.69 44.16 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.824 -1.172 . . . . 0.0 112.872 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 89.4 m-85 -85.97 152.06 23.24 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.266 0.939 . . . . 0.0 113.176 -173.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -135.94 -36.73 0.75 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.893 1.277 . . . . 0.0 112.607 -166.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -149.07 172.37 14.88 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.993 0.917 . . . . 0.0 112.405 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -149.93 155.56 40.2 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 125.701 1.6 . . . . 0.0 111.47 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.01 133.52 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 125.948 1.699 . . . . 0.0 109.094 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.3 mt -124.2 132.29 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.168 1.387 . . . . 0.0 107.72 -162.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.2 mt -122.25 101.64 7.64 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.486 1.115 . . . . 0.0 109.131 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -90.5 174.03 7.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.112 0.965 . . . . 0.0 112.556 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -51.18 162.76 0.28 Allowed 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.813 -1.179 . . . . 0.0 110.44 160.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 61.12 34.8 18.88 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.321 1.048 . . . . 0.0 112.856 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 53.89 24.81 4.79 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.665 2.386 . . . . 0.0 114.341 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.78 83.33 0.16 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.593 1.092 . . . . 0.0 112.815 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -77.12 134.91 38.57 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 162.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -143.31 149.02 37.23 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.634 1.574 . . . . 0.0 109.941 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 t -134.97 136.65 42.38 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.786 0.721 . . . . 0.0 111.901 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.5 t -144.19 134.04 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.96 1.304 . . . . 0.0 110.66 -166.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -95.01 113.79 25.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 122.228 1.013 . . . . 0.0 111.191 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.67 -16.63 64.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.194 1.798 . . . . 0.0 111.987 170.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -63.32 -13.45 39.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.445 1.498 . . . . 0.0 114.623 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 64.6 p -146.26 158.82 47.11 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 125.053 1.341 . . . . 0.0 111.53 -172.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.27 154.83 17.52 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 124.314 3.343 . . . . 0.0 113.956 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.28 124.64 20.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.385 1.074 . . . . 0.0 112.26 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.29 133.78 49.31 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.678 1.191 . . . . 0.0 112.62 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.45 -23.59 62.82 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -67.45 -38.81 85.06 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.885 -1.134 . . . . 0.0 111.264 173.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -72.32 -24.08 61.26 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.319 -0.863 . . . . 0.0 112.609 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -64.4 -8.64 14.03 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.585 1.154 . . . . 0.0 113.945 166.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -132.81 -11.16 3.04 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -171.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.09 128.85 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.125 1.37 . . . . 0.0 111.54 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -74.57 136.89 42.08 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.318 -0.864 . . . . 0.0 112.671 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -70.72 106.31 3.5 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.504 1.521 . . . . 0.0 112.095 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.4 mt -56.62 -28.12 59.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.51 1.524 . . . . 0.0 114.961 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -172.84 179.86 44.03 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.255 0.931 . . . . 0.0 113.475 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -70.43 152.56 43.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.997 0.919 . . . . 0.0 113.2 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 36.4 ttp -72.7 60.79 0.51 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 128.042 2.537 . . . . 0.0 115.063 -169.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -53.42 -45.92 69.57 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -151.38 149.24 29.08 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.504 -0.747 . . . . 0.0 111.609 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.0 m -138.24 150.9 47.15 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.295 1.038 . . . . 0.0 110.303 169.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.413 ' CD2' ' CG1' ' A' ' 109' ' ' VAL . 3.9 m-85 -132.88 151.26 52.06 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.334 1.854 . . . . 0.0 111.056 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -143.14 143.48 31.83 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.207 1.403 . . . . 0.0 112.797 -165.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -126.88 134.44 50.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.026 1.33 . . . . 0.0 111.651 -169.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 28.3 mttt -70.48 163.28 27.14 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.399 0.68 . . . . 0.0 112.725 173.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -69.02 52.26 0.09 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.999 2.52 . . . . 0.0 114.249 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.33 41.23 0.02 OUTLIER Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.893 2.187 . . . . 0.0 110.856 -173.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -152.18 149.96 29.32 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.02 0.91 . . . . 0.0 112.801 -167.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.8 m -139.54 12.89 2.54 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.579 2.351 . . . . 0.0 111.987 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -139.49 116.46 10.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.515 1.526 . . . . 0.0 109.313 166.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.75 118.63 10.56 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -161.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.2 t -77.86 -23.76 48.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.447 1.499 . . . . 0.0 114.955 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.433 ' CE2' HD11 ' A' ' 110' ' ' ILE . 64.7 t80 -124.47 145.16 49.68 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.641 0.777 . . . . 0.0 110.125 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.608 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -152.42 155.59 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.584 1.554 . . . . 0.0 111.606 -170.155 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.433 HD11 ' CE2' ' A' ' 108' ' ' TYR . 5.1 mt -145.25 145.89 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 O-C-N 121.284 -0.885 . . . . 0.0 109.868 -169.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -107.62 144.37 34.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.572 1.149 . . . . 0.0 111.296 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.16 -177.67 28.67 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 116.505 -0.316 . . . . 0.0 113.133 174.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.82 138.53 34.63 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.122 2.548 . . . . 0.0 111.379 -177.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.05 -19.73 0.18 Allowed Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.643 2.068 . . . . 0.0 114.197 173.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm 56.12 -21.46 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 129.069 2.948 . . . . 0.0 117.828 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -168.94 152.96 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.272 1.829 . . . . 0.0 109.806 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -82.75 -22.53 34.33 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.742 -0.599 . . . . 0.0 111.794 167.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 CA--C 1.547 0.834 0 O-C-N 120.832 -1.168 . . . . 0.0 112.349 -176.401 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.335 0 N-CA-C 117.68 1.832 . . . . 0.0 117.68 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.608 ' CD2' HG23 ' A' ' 109' ' ' VAL . 41.1 p-80 . . . . . 0 N--CA 1.465 0.321 0 C-N-CA 126.906 2.082 . . . . 0.0 110.333 171.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 121.688 0.756 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -143.3 5.3 1.45 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.561 1.944 . . . . 0.0 113.098 -173.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -141.7 -26.15 0.68 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.963 1.705 . . . . 0.0 113.266 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -102.2 61.77 0.86 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.018 1.327 . . . . 0.0 110.711 165.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.5 t -115.18 161.38 18.5 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.952 2.501 . . . . 0.0 110.371 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -103.72 101.54 11.37 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 171.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.3 102.08 14.8 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.57 1.948 . . . . 0.0 110.933 -177.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 127.821 2.448 . . . . 0.0 114.09 179.411 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.63 -35.38 70.41 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 117.633 -1.175 . . . . 0.0 113.624 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.74 -50.57 60.14 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 120.846 1.657 . . . . 0.0 112.913 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.96 -33.9 64.06 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.812 1.645 . . . . 0.0 112.435 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tp -71.81 -44.81 63.28 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.502 0.592 . . . . 0.0 112.045 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.7 -40.68 84.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.65 1.58 . . . . 0.0 112.156 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -64.46 -43.74 93.27 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.636 0.374 . . . . 0.0 110.392 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -65.79 -42.79 90.32 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.757 -0.639 . . . . 0.0 112.309 174.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.0 -37.94 82.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.175 1.39 . . . . 0.0 113.688 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -62.69 -33.08 74.35 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.71 170.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -71.72 -44.57 63.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 118.07 -0.966 . . . . 0.0 113.544 168.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -55.44 -30.95 61.46 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.61 1.55 . . . . 0.0 112.456 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.38 -48.0 74.42 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 120.87 -1.144 . . . . 0.0 113.89 172.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -70.31 -43.3 70.62 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.78 0.718 . . . . 0.0 112.012 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -57.93 -37.14 73.56 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.782 1.233 . . . . 0.0 113.149 171.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.79 -2.73 25.38 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 116.507 1.363 . . . . 0.0 116.507 -160.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.9 p -122.14 158.94 28.22 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.332 1.566 . . . . 0.0 112.57 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -68.62 -29.2 67.65 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -157.53 100.98 1.82 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.475 2.31 . . . . 0.0 111.6 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 p -65.51 -21.56 66.63 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.7 -23.12 62.87 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -172.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -77.62 -14.31 59.67 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.491 1.116 . . . . 0.0 113.249 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -84.96 144.49 28.29 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.261 0.937 . . . . 0.0 113.111 -173.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -129.8 -30.91 2.0 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.114 1.366 . . . . 0.0 112.89 -165.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -151.35 175.04 12.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 122.234 1.016 . . . . 0.0 111.9 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -150.0 159.4 44.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.138 -1.847 . . . . 0.0 111.169 174.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.61 HG11 HD23 ' B' ' 20' ' ' LEU . 11.2 p -141.79 136.99 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 124.703 1.201 . . . . 0.0 109.555 175.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.4 mt -119.9 124.04 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.656 1.582 . . . . 0.0 107.589 -163.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -118.89 130.42 55.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.845 1.258 . . . . 0.0 110.166 -176.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.2 p -124.38 171.41 9.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.838 0.855 . . . . 0.0 112.078 -172.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -51.66 163.37 0.31 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 120.875 0.369 . . . . 0.0 110.183 160.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 60.67 33.04 20.36 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.454 1.102 . . . . 0.0 113.051 175.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 53.85 31.01 12.38 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.125 2.57 . . . . 0.0 114.83 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.03 139.29 38.1 Favored Glycine 0 CA--C 1.537 1.412 0 O-C-N 121.781 -0.574 . . . . 0.0 112.876 167.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -148.97 123.8 9.93 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 128.371 2.669 . . . . 0.0 107.287 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -143.28 116.71 9.09 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.936 0.894 . . . . 0.0 109.753 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 t -101.72 139.51 37.27 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 119.103 0.865 . . . . 0.0 111.55 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -142.9 119.53 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.366 1.867 . . . . 0.0 109.537 -167.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -77.11 138.02 39.27 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.02 0.914 . . . . 0.0 111.329 172.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.1 mt -95.94 -14.8 22.81 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.384 1.874 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -66.29 -8.97 28.33 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.064 1.346 . . . . 0.0 113.144 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.8 p -135.85 152.83 76.54 Favored Pre-proline 0 C--O 1.241 0.615 0 C-N-CA 126.29 1.836 . . . . 0.0 110.975 -169.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.83 153.01 78.11 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.43 2.753 . . . . 0.0 111.862 166.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -69.28 135.99 51.25 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.634 -0.666 . . . . 0.0 112.18 171.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.36 130.08 44.35 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.752 -0.593 . . . . 0.0 111.241 163.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.73 -21.84 63.38 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -167.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.89 -20.29 65.89 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.575 1.534 . . . . 0.0 112.71 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.43 -26.78 66.98 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.839 1.256 . . . . 0.0 112.185 169.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -70.02 -15.72 63.06 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.317 -0.864 . . . . 0.0 112.866 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -105.99 -24.36 12.43 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.36 115.52 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 119.734 1.152 . . . . 0.0 110.997 -175.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.12 133.06 42.8 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.446 -0.784 . . . . 0.0 109.942 168.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.58 150.68 48.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.978 1.311 . . . . 0.0 111.598 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.09 -27.58 68.17 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.936 0.894 . . . . 0.0 113.067 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.33 -173.97 35.26 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.455 1.026 . . . . 0.0 113.666 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -67.53 146.74 53.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.124 0.97 . . . . 0.0 111.158 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 52.3 ttp -60.21 112.73 2.03 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.462 1.105 . . . . 0.0 111.046 176.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -85.56 -55.36 4.03 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.328 0.513 . . . . 0.0 109.948 169.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -147.91 154.74 40.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.215 0.606 . . . . 0.0 112.583 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.0 m -125.1 142.74 51.3 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 124.378 1.071 . . . . 0.0 108.965 164.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -126.76 133.19 50.9 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.625 1.57 . . . . 0.0 108.284 -172.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -131.46 143.33 50.35 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.159 1.384 . . . . 0.0 111.71 -167.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -134.22 136.49 43.71 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.482 0.713 . . . . 0.0 111.265 -167.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -66.85 165.25 15.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.892 0.877 . . . . 0.0 112.62 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -51.85 110.85 0.51 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.178 1.791 . . . . 0.0 110.536 170.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.0 -1.17 73.75 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 115.735 1.054 . . . . 0.0 115.735 -176.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -96.88 145.08 26.21 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.346 1.573 . . . . 0.0 112.15 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.3 m -138.62 30.59 2.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.439 1.496 . . . . 0.0 111.827 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -143.45 112.0 6.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.36 1.464 . . . . 0.0 108.339 160.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 96.5 p -57.8 106.46 0.36 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -163.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.0 t -67.73 -20.78 65.29 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -126.3 142.11 51.65 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.598 1.159 . . . . 0.0 110.41 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.483 HG23 ' NE2' ' B' ' 13' ' ' HIS . 1.7 m -147.83 154.72 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.748 1.619 . . . . 0.0 112.006 -176.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.4 mt -147.27 136.44 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 124.397 1.079 . . . . 0.0 108.317 -177.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -116.07 152.54 33.4 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.376 0.607 . . . . 0.0 110.883 -168.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.06 177.71 22.55 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.064 1.316 . . . . 0.0 113.162 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -80.29 40.05 0.92 Allowed 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 124.109 3.206 . . . . 0.0 114.239 -167.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.5 -25.68 17.74 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 120.208 -1.557 . . . . 0.0 114.582 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? 61.3 -27.09 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.59 2.356 . . . . 0.0 116.844 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -165.92 163.23 18.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.812 2.045 . . . . 0.0 109.709 -177.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -89.59 -17.91 27.58 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.493 -0.754 . . . . 0.0 113.027 165.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 125.31 1.444 . . . . 0.0 113.345 -164.804 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.862 0 N-CA-C 116.96 1.544 . . . . 0.0 116.96 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.483 ' NE2' HG23 ' A' ' 109' ' ' VAL . 37.6 p-80 . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 122.307 1.051 . . . . 0.0 111.653 167.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 N--CA 1.467 0.399 0 CA-C-O 121.334 0.588 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -131.56 -19.12 2.73 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.842 1.257 . . . . 0.0 113.79 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.32 -19.43 8.28 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -97.35 2.29 50.41 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.628 0.771 . . . . 0.0 112.638 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 t -52.86 159.35 1.15 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.713 2.405 . . . . 0.0 115.207 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.61 HD23 HG11 ' A' ' 63' ' ' VAL . 52.7 tp -100.94 120.53 40.3 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 160.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -95.75 85.9 4.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.57 2.348 . . . . 0.0 111.296 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 CA--C 1.538 0.502 0 C-N-CA 126.92 2.088 . . . . 0.0 112.672 -179.74 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 122.099 0.952 . . . . 0.0 113.258 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.18 -36.45 75.35 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.552 1.141 . . . . 0.0 112.832 -171.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.28 -35.93 44.13 Favored Glycine 0 CA--C 1.54 1.614 0 CA-C-N 119.296 0.953 . . . . 0.0 115.078 177.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -71.27 -43.74 66.59 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.342 1.071 . . . . 0.0 111.982 176.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -65.93 -39.77 90.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.194 0.998 . . . . 0.0 112.534 175.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.02 -39.03 71.32 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.333 1.453 . . . . 0.0 112.508 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.88 -42.47 94.79 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.961 -0.462 . . . . 0.0 111.995 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -61.23 -48.04 83.33 Favored 'General case' 0 C--O 1.222 -0.358 0 O-C-N 121.687 -0.633 . . . . 0.0 111.134 172.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.94 -34.64 73.69 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.877 -1.14 . . . . 0.0 113.95 -175.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.4 mtt-85 -66.4 -30.03 70.32 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.069 0.85 . . . . 0.0 112.004 168.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -70.3 -45.77 65.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.741 -0.647 . . . . 0.0 112.67 166.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -55.26 -40.68 71.24 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.781 1.173 . . . . 0.0 113.437 -176.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.99 -42.78 89.37 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.955 1.252 . . . . 0.0 113.037 173.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -68.84 -43.73 74.9 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.46 1.482 . . . . 0.0 112.287 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -65.89 -21.36 66.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.835 1.654 . . . . 0.0 113.809 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.05 -41.52 0.55 Allowed Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.548 1.379 . . . . 0.0 116.548 -163.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.4 p -88.71 159.04 17.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.075 1.437 . . . . 0.0 111.598 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -71.08 -33.23 70.03 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.375 -0.828 . . . . 0.0 112.324 172.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -148.64 117.56 6.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.604 1.562 . . . . 0.0 112.161 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.9 p -72.78 -26.3 61.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.822 1.649 . . . . 0.0 114.554 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.03 5.31 3.44 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -168.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -97.01 -19.53 18.69 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.575 -1.328 . . . . 0.0 112.294 170.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 96.4 m-85 -76.4 149.85 36.86 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.977 0.911 . . . . 0.0 111.259 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.68 -30.52 4.16 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -174.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -155.86 168.18 28.02 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.458 1.503 . . . . 0.0 111.196 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -136.78 155.32 49.98 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 126.78 2.032 . . . . 0.0 110.625 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.616 HG11 HD23 ' B' ' 20' ' ' LEU . 14.5 p -138.06 125.94 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 124.51 1.124 . . . . 0.0 110.179 172.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mp -106.18 135.42 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.557 1.543 . . . . 0.0 108.97 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.6 mt -116.68 125.64 52.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.288 1.435 . . . . 0.0 108.802 173.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.2 p -118.38 172.38 7.5 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.228 0.611 . . . . 0.0 112.042 -170.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.16 169.26 0.18 Allowed 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.596 -0.69 . . . . 0.0 111.106 160.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 53.87 31.39 13.13 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.44 1.096 . . . . 0.0 112.85 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.6 mttt 66.85 17.09 10.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.358 2.263 . . . . 0.0 114.775 169.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.92 150.81 50.86 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 123.478 0.561 . . . . 0.0 114.163 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -148.95 130.77 15.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.324 2.25 . . . . 0.0 108.561 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -146.53 120.86 9.6 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.781 -1.104 . . . . 0.0 110.89 -173.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.8 t -113.22 134.88 54.37 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 119.963 1.256 . . . . 0.0 112.623 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.7 t -145.36 125.29 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.266 1.426 . . . . 0.0 110.76 -170.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -71.52 140.58 49.97 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.513 -0.742 . . . . 0.0 111.98 170.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.55 -15.92 15.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.44 1.896 . . . . 0.0 113.61 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -70.58 -2.14 13.28 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 171.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 p -138.24 152.9 72.5 Favored Pre-proline 0 C--O 1.24 0.591 0 C-N-CA 127.878 2.471 . . . . 0.0 109.272 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.32 150.01 77.37 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.715 2.277 . . . . 0.0 110.89 161.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -70.45 143.74 51.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.631 -0.668 . . . . 0.0 111.312 171.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.06 155.25 24.53 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -50.25 -33.98 21.52 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -69.92 -39.32 76.23 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.81 -1.181 . . . . 0.0 111.665 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -78.66 -25.58 44.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.771 1.629 . . . . 0.0 113.306 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -54.94 -22.83 16.33 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.79 0.836 . . . . 0.0 112.096 166.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -127.89 13.55 6.83 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.402 1.881 . . . . 0.0 113.445 -168.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -76.61 139.12 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.992 -1.068 . . . . 0.0 110.483 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -72.92 149.01 43.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.921 0.888 . . . . 0.0 112.684 -169.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.2 mt -105.25 117.7 34.67 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.004 1.322 . . . . 0.0 112.244 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.82 -31.46 72.44 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.871 1.668 . . . . 0.0 114.0 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.91 169.55 34.66 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.419 1.009 . . . . 0.0 114.755 -172.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -59.27 153.22 19.09 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.868 1.667 . . . . 0.0 111.926 166.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.1 ttp -74.87 69.77 1.89 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.882 1.673 . . . . 0.0 113.085 -172.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -58.64 -42.2 87.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -159.25 153.24 23.38 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.043 -1.036 . . . . 0.0 113.095 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.8 m -135.7 150.14 49.46 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.665 1.186 . . . . 0.0 111.02 172.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -128.4 146.94 50.64 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.283 1.833 . . . . 0.0 110.881 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.02 145.29 39.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.243 1.417 . . . . 0.0 111.949 -173.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.42 ' HE1' HG12 ' A' ' 63' ' ' VAL . 21.1 m-85 -126.58 135.35 51.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.473 1.109 . . . . 0.0 110.748 -164.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 36.5 mttt -73.21 154.18 40.35 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.834 0.743 . . . . 0.0 111.611 171.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -53.33 111.4 0.69 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.84 1.256 . . . . 0.0 113.219 -173.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.82 -15.95 47.81 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 126.66 2.076 . . . . 0.0 115.569 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.41 163.22 21.81 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.353 1.576 . . . . 0.0 113.32 -173.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.8 p -135.84 21.47 3.3 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 175.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -139.43 136.78 35.0 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.54 1.936 . . . . 0.0 107.559 164.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.5 p -66.84 160.01 26.95 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -171.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 t -125.04 -17.65 5.7 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.365 1.466 . . . . 0.0 112.437 173.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -128.64 146.97 50.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.602 0.761 . . . . 0.0 109.998 172.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.468 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -154.54 146.55 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 C-N-CA 124.843 1.257 . . . . 0.0 111.518 -170.815 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.3 mt -143.97 110.3 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -166.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -76.65 149.85 36.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.926 0.89 . . . . 0.0 108.98 174.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.66 -173.95 26.74 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 114.567 0.587 . . . . 0.0 114.567 -175.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -68.35 125.39 12.83 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.267 2.645 . . . . 0.0 112.169 -174.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.98 -19.94 0.14 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.63 1.11 . . . . 0.0 115.632 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.6 tttt 62.3 -35.04 0.12 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 129.247 3.019 . . . . 0.0 116.416 -174.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -162.91 155.73 19.17 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.242 1.817 . . . . 0.0 109.274 -170.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -81.92 -27.28 33.42 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 174.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 117.569 2.433 . . . . 0.0 117.569 -162.18 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.164 0 N-CA-C 113.923 0.329 . . . . 0.0 113.923 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.468 ' NE2' HG13 ' A' ' 109' ' ' VAL . 35.5 p-80 . . . . . 0 N--CA 1.467 0.411 0 O-C-N 121.433 -1.039 . . . . 0.0 111.66 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 . . . . . 0 N--CA 1.47 0.574 0 CA-C-O 120.975 0.417 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -132.45 -7.46 3.3 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.692 1.997 . . . . 0.0 114.55 -174.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -121.05 -33.1 3.8 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.388 1.475 . . . . 0.0 112.036 172.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.94 72.88 10.01 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.823 1.297 . . . . 0.0 108.279 160.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -134.57 148.69 50.52 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.495 1.518 . . . . 0.0 110.378 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.616 HD23 HG11 ' A' ' 63' ' ' VAL . 60.0 tp -93.1 121.03 34.03 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 163.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.86 110.42 19.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 122.271 1.034 . . . . 0.0 109.66 162.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 CA--C 1.544 0.748 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.451 169.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 121.62 0.724 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.36 -38.88 85.22 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -167.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.52 -27.98 66.5 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 121.662 -0.649 . . . . 0.0 113.59 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -85.97 -25.78 25.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.11 0.964 . . . . 0.0 111.873 174.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 tp -68.1 -42.95 79.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.781 0.833 . . . . 0.0 111.813 163.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.8 -37.46 66.1 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.635 1.174 . . . . 0.0 112.89 174.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.63 -36.82 83.49 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.649 -0.657 . . . . 0.0 112.254 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -63.92 -55.97 18.7 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.638 -0.664 . . . . 0.0 110.353 166.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.9 mt -57.84 -34.32 69.58 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -176.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -68.75 -32.47 72.26 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.574 1.149 . . . . 0.0 112.34 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -71.09 -44.52 65.51 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.054 0.843 . . . . 0.0 110.96 169.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -60.55 -28.11 68.19 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.688 1.595 . . . . 0.0 112.007 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.42 -55.7 9.57 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.624 -1.298 . . . . 0.0 113.358 169.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -65.0 -41.13 95.67 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.192 0.906 . . . . 0.0 112.637 -177.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -79.65 -15.53 57.42 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.436 1.494 . . . . 0.0 111.949 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.91 -42.84 2.03 Favored Glycine 0 CA--C 1.527 0.802 0 O-C-N 121.531 -0.731 . . . . 0.0 114.855 -176.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 p -99.57 158.31 15.84 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.97 1.308 . . . . 0.0 111.726 -173.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -68.63 -31.83 71.26 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.697 -0.627 . . . . 0.0 112.59 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -153.02 116.32 4.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.581 1.552 . . . . 0.0 110.621 169.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.4 p -80.47 -17.13 52.58 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.98 -17.45 64.93 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -173.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -70.48 -22.55 62.65 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.213 1.005 . . . . 0.0 112.659 174.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 89.1 m-85 -79.35 142.49 36.0 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.061 0.944 . . . . 0.0 112.495 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -124.52 -34.83 2.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.095 1.358 . . . . 0.0 111.053 -171.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -147.99 174.94 11.4 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 122.295 1.045 . . . . 0.0 113.414 168.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -144.99 162.08 37.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 126.648 1.979 . . . . 0.0 110.861 175.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.608 HG11 HD23 ' B' ' 20' ' ' LEU . 10.0 p -138.0 124.75 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 C-N-CA 124.405 1.082 . . . . 0.0 109.953 174.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -96.97 123.51 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 124.831 1.252 . . . . 0.0 108.72 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.5 mp -105.98 109.38 21.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.265 1.826 . . . . 0.0 108.638 174.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.9 p -102.83 170.22 8.13 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.56 0.695 . . . . 0.0 110.533 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -56.05 163.75 1.45 Allowed 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.581 -0.699 . . . . 0.0 111.747 162.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 59.45 38.47 22.66 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt 70.56 21.08 5.61 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.697 1.999 . . . . 0.0 114.495 170.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.71 135.75 20.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.216 -0.928 . . . . 0.0 112.719 172.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -146.83 111.76 5.37 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.344 2.258 . . . . 0.0 105.96 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -131.34 107.91 9.28 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 110.706 -169.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -85.85 137.34 32.84 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.276 0.63 . . . . 0.0 110.932 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -142.92 118.2 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.303 1.441 . . . . 0.0 109.962 -172.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -82.42 125.78 31.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.49 0.662 . . . . 0.0 110.179 176.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.2 mt -82.68 -19.24 38.52 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.396 1.478 . . . . 0.0 113.023 -174.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -70.05 -5.09 24.25 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -175.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.8 p -145.83 156.1 51.88 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.775 1.23 . . . . 0.0 110.487 -171.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.53 163.21 38.11 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.65 3.566 . . . . 0.0 113.122 172.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.508 HD21 ' HE3' ' A' ' 85' ' ' LYS . 1.1 pt? -106.13 158.01 17.14 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -176.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.12 154.67 33.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.842 2.057 . . . . 0.0 113.231 165.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.91 -25.12 63.13 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.095 -1.003 . . . . 0.0 113.323 173.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.0 -42.38 72.42 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.222 1.009 . . . . 0.0 111.538 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -72.76 -39.07 67.09 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.938 1.295 . . . . 0.0 111.62 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.508 ' HE3' HD21 ' A' ' 80' ' ' LEU . 96.6 mttt -58.89 -14.4 8.95 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 170.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -122.65 -13.45 7.94 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.557 1.143 . . . . 0.0 113.942 -169.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.3 128.67 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.757 1.162 . . . . 0.0 110.189 -176.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.63 121.11 18.21 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.358 0.599 . . . . 0.0 111.156 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.61 140.51 58.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.143 0.577 . . . . 0.0 109.79 168.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.22 -22.73 66.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.689 1.196 . . . . 0.0 113.718 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.12 -172.14 37.02 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.863 1.221 . . . . 0.0 112.881 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -68.56 148.86 49.92 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.143 1.377 . . . . 0.0 113.297 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 30.4 ttp -68.52 66.68 0.12 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.981 2.113 . . . . 0.0 114.81 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -48.85 -48.69 41.67 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.95 1.3 . . . . 0.0 114.021 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -149.35 161.63 41.67 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.334 1.054 . . . . 0.0 113.293 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.7 m -135.53 141.8 45.29 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.456 1.103 . . . . 0.0 110.147 160.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -118.52 142.5 47.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.153 1.781 . . . . 0.0 109.68 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -132.28 145.88 51.6 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.299 1.44 . . . . 0.0 112.131 -168.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -134.56 127.45 31.32 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 125.425 1.49 . . . . 0.0 109.552 -164.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -65.96 168.36 8.28 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.358 0.599 . . . . 0.0 111.963 173.867 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -46.33 107.98 0.12 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.73 1.612 . . . . 0.0 111.378 163.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.52 47.93 5.8 Favored Glycine 0 CA--C 1.543 1.788 0 N-CA-C 116.358 1.303 . . . . 0.0 116.358 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -128.98 163.6 24.99 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.498 1.649 . . . . 0.0 114.053 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.1 t -149.75 22.96 0.89 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.601 1.96 . . . . 0.0 112.617 174.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -151.72 133.71 15.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.859 1.663 . . . . 0.0 107.156 163.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.9 p -59.31 158.3 9.49 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 122.482 1.134 . . . . 0.0 114.024 -170.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.1 m -124.29 -14.97 6.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 113.53 -1.668 . . . . 0.0 112.556 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -142.24 144.63 33.42 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.053 1.741 . . . . 0.0 108.588 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.423 HG13 ' CD2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -152.76 155.55 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.889 1.276 . . . . 0.0 111.712 -175.558 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -138.28 129.41 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 123.8 0.84 . . . . 0.0 108.87 -172.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -89.27 138.3 31.55 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 123.964 0.906 . . . . 0.0 109.476 174.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.4 -175.22 16.3 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 123.332 0.491 . . . . 0.0 113.555 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -67.43 124.82 12.52 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.951 2.434 . . . . 0.0 110.929 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 147.01 162.97 10.23 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 126.652 2.073 . . . . 0.0 109.833 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -141.6 -32.54 0.53 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -166.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -143.7 116.8 8.92 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.461 1.124 . . . . 0.0 113.554 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -70.28 -3.64 18.14 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.701 -1.25 . . . . 0.0 112.485 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 125.179 1.392 . . . . 0.0 113.234 -161.063 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.119 0 N-CA-C 118.451 2.141 . . . . 0.0 118.451 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.423 ' CD2' HG13 ' A' ' 109' ' ' VAL . 39.1 p-80 . . . . . 0 N--CA 1.461 0.092 0 C-N-CA 124.812 1.245 . . . . 0.0 111.441 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 114.622 1.342 . . . . 0.0 114.622 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -135.56 -22.82 1.46 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.266 1.426 . . . . 0.0 114.023 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -136.08 -26.85 1.14 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.763 1.225 . . . . 0.0 114.098 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.93 -14.5 61.94 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -43.35 149.56 0.24 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.608 HD23 HG11 ' A' ' 63' ' ' VAL . 63.7 tp -94.44 112.32 24.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.162 160.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.9 132.46 45.27 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.809 1.644 . . . . 0.0 111.598 160.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 127.281 2.232 . . . . 0.0 113.986 -173.809 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 121.451 0.643 . . . . 0.0 111.706 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -34.34 69.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.791 0.836 . . . . 0.0 112.389 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -48.28 -35.12 14.13 Favored Glycine 0 CA--C 1.536 1.373 0 N-CA-C 115.714 1.046 . . . . 0.0 115.714 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -83.29 -36.7 24.28 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.27 1.035 . . . . 0.0 112.62 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.54 -39.7 81.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.295 0.638 . . . . 0.0 112.39 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.19 -41.71 68.86 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.457 1.103 . . . . 0.0 111.833 172.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.93 -28.65 67.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.468 1.107 . . . . 0.0 112.895 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -71.6 -55.86 6.97 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.575 -0.703 . . . . 0.0 110.725 166.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -66.65 -39.82 88.39 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -168.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -63.17 -33.91 76.48 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.317 0.962 . . . . 0.0 111.39 175.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -74.04 -39.73 63.34 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.841 -0.599 . . . . 0.0 112.057 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.14 -31.38 70.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.519 1.054 . . . . 0.0 113.217 172.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -48.32 81.82 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.833 -1.167 . . . . 0.0 112.897 171.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -65.42 -38.16 89.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.369 0.668 . . . . 0.0 112.394 176.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -75.48 -29.42 59.57 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.587 1.555 . . . . 0.0 114.611 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.24 -13.77 14.64 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 118.974 0.807 . . . . 0.0 115.098 -172.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.7 p -100.56 165.77 11.25 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.925 1.363 . . . . 0.0 112.383 169.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -71.61 -36.56 70.84 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.624 -0.673 . . . . 0.0 111.118 168.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -149.03 116.37 6.13 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.453 1.501 . . . . 0.0 112.746 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -75.91 -20.29 58.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.319 1.448 . . . . 0.0 114.152 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.21 -11.67 61.06 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -169.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -81.03 -12.41 59.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 0.0 113.486 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.444 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 84.3 m-85 -85.13 146.18 27.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.162 0.985 . . . . 0.0 112.707 -174.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -128.2 -27.5 2.7 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.005 1.322 . . . . 0.0 111.905 -166.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -153.33 171.63 18.29 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.709 0.803 . . . . 0.0 112.952 168.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -146.93 156.97 43.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.635 1.974 . . . . 0.0 111.632 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.68 HG11 HD23 ' B' ' 20' ' ' LEU . 12.1 p -146.51 143.23 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.023 1.329 . . . . 0.0 110.358 -176.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -128.44 128.26 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.725 1.21 . . . . 0.0 108.572 -160.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.2 mt -118.58 128.0 54.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.387 1.075 . . . . 0.0 109.821 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -119.11 175.6 5.7 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.327 0.651 . . . . 0.0 112.549 -173.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -52.64 164.1 0.39 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 160.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 57.68 31.85 21.01 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.288 1.035 . . . . 0.0 113.242 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 55.37 28.54 11.61 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.908 2.883 . . . . 0.0 115.407 174.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.56 140.3 34.9 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 117.807 0.276 . . . . 0.0 112.884 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -137.9 130.08 28.98 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.811 2.044 . . . . 0.0 108.976 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -143.16 142.53 31.49 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.679 1.191 . . . . 0.0 109.904 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.7 t -132.74 142.42 49.02 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.459 1.027 . . . . 0.0 112.359 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -144.21 123.88 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.178 1.391 . . . . 0.0 110.288 -168.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -75.22 140.35 43.19 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.231 1.015 . . . . 0.0 111.296 170.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.3 mt -95.11 0.37 54.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.687 1.595 . . . . 0.0 112.199 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -66.13 -17.73 64.9 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.157 0.983 . . . . 0.0 113.553 169.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -152.09 153.86 31.76 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 127.348 2.259 . . . . 0.0 109.745 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.45 153.0 79.34 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.197 3.264 . . . . 0.0 112.074 168.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.11 134.62 32.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.778 1.631 . . . . 0.0 113.613 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.67 150.66 48.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.767 1.227 . . . . 0.0 112.191 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -65.13 -35.47 81.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.786 -1.196 . . . . 0.0 113.239 -171.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.36 -10.03 56.09 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.67 -1.268 . . . . 0.0 112.899 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -109.71 -25.72 10.24 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.13 1.772 . . . . 0.0 112.697 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -54.93 -26.08 33.75 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.666 -1.271 . . . . 0.0 111.965 160.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -112.55 8.2 19.15 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.081 1.752 . . . . 0.0 115.012 -176.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.7 p -84.37 139.97 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 121.559 1.982 . . . . 0.0 111.879 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -60.01 154.29 19.42 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.871 1.268 . . . . 0.0 113.187 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.7 mt -113.12 129.18 56.59 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.846 1.258 . . . . 0.0 110.715 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.8 mt -72.81 -31.95 65.19 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.037 0.935 . . . . 0.0 113.422 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -160.13 176.84 36.78 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.19 0.9 . . . . 0.0 114.54 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -66.32 157.61 31.25 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.992 1.717 . . . . 0.0 112.435 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 ttp -70.58 64.39 0.29 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.562 2.745 . . . . 0.0 113.79 -172.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -61.71 -38.79 89.16 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.423 -1.423 . . . . 0.0 114.398 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.2 152.42 30.34 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.025 0.93 . . . . 0.0 111.979 -176.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -143.35 144.15 31.96 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.671 -1.268 . . . . 0.0 109.988 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -124.24 153.79 41.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.009 1.323 . . . . 0.0 111.866 175.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -143.2 149.07 37.48 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.747 1.619 . . . . 0.0 111.612 -171.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.418 ' HE1' HG12 ' A' ' 63' ' ' VAL . 15.9 m-85 -136.61 130.63 32.58 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.256 1.422 . . . . 0.0 109.059 -164.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 25.0 mttt -70.01 170.14 11.94 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.421 0.555 . . . . 0.0 111.086 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -53.12 123.02 10.61 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.933 -0.48 . . . . 0.0 111.487 170.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.56 36.87 18.71 Favored Glycine 0 CA--C 1.536 1.386 0 N-CA-C 115.431 0.932 . . . . 0.0 115.431 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -130.17 159.14 37.73 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.668 1.734 . . . . 0.0 113.816 -177.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.1 p -144.19 13.48 1.62 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.976 1.71 . . . . 0.0 114.071 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -140.7 138.37 34.19 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.752 1.621 . . . . 0.0 107.468 160.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.4 p -58.51 161.5 4.5 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -168.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.6 t -123.28 -19.09 6.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.127 1.371 . . . . 0.0 112.502 170.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -142.25 145.63 34.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 125.196 1.398 . . . . 0.0 109.355 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.78 155.9 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.459 1.504 . . . . 0.0 112.244 -173.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.4 HG12 ' CA ' ' B' ' 12' ' ' GLY . 58.2 mt -133.31 127.69 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -176.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -91.26 139.59 30.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.775 1.63 . . . . 0.0 108.806 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.0 -178.64 29.49 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 121.371 -0.831 . . . . 0.0 114.614 -175.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -71.21 133.0 22.04 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 123.303 2.669 . . . . 0.0 112.312 -173.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 164.54 -17.18 0.11 Allowed Glycine 0 CA--C 1.538 1.521 0 C-N-CA 126.006 1.765 . . . . 0.0 115.136 175.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.2 tptt 62.77 -22.72 0.05 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.438 2.295 . . . . 0.0 117.04 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -175.47 159.62 2.44 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.789 2.036 . . . . 0.0 109.116 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -81.67 -23.73 36.7 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.208 -0.933 . . . . 0.0 112.167 168.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 N--CA 1.477 0.882 0 C-N-CA 126.123 1.769 . . . . 0.0 114.316 -163.673 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . 0.4 ' CA ' HG12 ' A' ' 110' ' ' ILE . . . . . . . . 0 N--CA 1.435 -1.393 0 N-CA-C 113.517 0.167 . . . . 0.0 113.517 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 122.374 1.083 . . . . 0.0 111.385 -173.859 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 113.653 0.982 . . . . 0.0 113.653 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -144.55 21.28 1.68 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.073 1.349 . . . . 0.0 112.09 168.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -155.43 -11.83 0.11 Allowed 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 -162.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -120.32 -11.82 9.11 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.168 1.387 . . . . 0.0 112.776 178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -44.1 142.27 1.48 Allowed 'General case' 0 C--O 1.238 0.472 0 C-N-CA 127.861 2.464 . . . . 0.0 116.699 -170.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.68 HD23 HG11 ' A' ' 63' ' ' VAL . 48.2 tp -87.92 122.7 31.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.949 164.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -81.78 133.81 35.37 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.191 1.396 . . . . 0.0 111.678 162.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 CA--C 1.551 0.998 0 C-N-CA 129.196 2.998 . . . . 0.0 112.279 179.398 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.383 0.611 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -35.47 63.05 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.515 -0.755 . . . . 0.0 112.709 172.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.17 -53.47 46.04 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 119.964 1.256 . . . . 0.0 115.18 174.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -68.46 -39.68 81.35 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 117.954 0.877 . . . . 0.0 111.952 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.61 -46.55 88.63 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 168.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.64 -41.96 91.66 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.481 1.113 . . . . 0.0 112.209 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -58.76 -42.26 88.51 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.375 0.534 . . . . 0.0 110.635 176.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -62.84 -55.97 21.53 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.437 0.695 . . . . 0.0 111.088 171.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.5 mt -65.18 -39.45 92.9 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -172.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -73.06 -22.51 60.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.665 1.12 . . . . 0.0 113.15 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -70.85 -39.71 72.79 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 117.489 -1.243 . . . . 0.0 113.165 162.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -54.4 -42.87 70.92 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.857 1.662 . . . . 0.0 113.651 -175.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.16 -43.13 99.17 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.466 1.03 . . . . 0.0 113.05 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -68.24 -44.22 76.17 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.5 1.045 . . . . 0.0 111.8 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -64.0 -17.86 63.73 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.737 2.015 . . . . 0.0 114.04 172.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.23 -41.01 0.38 Allowed Glycine 0 CA--C 1.536 1.386 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 -161.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.427 HG22 ' CE1' ' A' ' 108' ' ' TYR . 43.9 p -93.78 162.55 13.88 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.766 1.626 . . . . 0.0 111.384 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.51 -33.36 69.16 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.42 -0.8 . . . . 0.0 113.004 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -153.05 89.27 1.36 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.369 2.268 . . . . 0.0 112.771 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -52.41 -29.68 25.49 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.889 2.076 . . . . 0.0 115.793 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.61 -20.47 60.72 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -168.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -70.91 -24.09 62.39 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.405 1.482 . . . . 0.0 113.692 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 86.4 m-85 -73.27 152.05 41.13 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.011 0.924 . . . . 0.0 111.476 -178.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.83 -30.37 2.27 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.062 -1.023 . . . . 0.0 113.514 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -148.56 170.52 17.9 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -138.28 159.9 40.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 126.453 1.901 . . . . 0.0 111.795 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.668 HG11 HD23 ' B' ' 20' ' ' LEU . 12.7 p -145.71 144.56 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.646 1.579 . . . . 0.0 110.325 176.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 mt -130.91 131.71 64.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 125.584 1.553 . . . . 0.0 108.014 -167.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.51 116.01 27.46 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.477 1.111 . . . . 0.0 108.348 173.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.0 p -104.25 171.08 7.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.331 0.653 . . . . 0.0 111.098 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.59 162.71 1.54 Allowed 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.317 -0.865 . . . . 0.0 111.39 161.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 63.08 40.46 9.06 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.769 1.227 . . . . 0.0 114.235 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.8 mttt 62.93 24.26 14.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.265 1.826 . . . . 0.0 114.638 170.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.59 138.76 21.44 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 121.68 0.6 . . . . 0.0 113.264 173.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -142.9 123.87 14.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.59 2.356 . . . . 0.0 107.043 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -140.04 143.01 36.16 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.942 0.897 . . . . 0.0 110.086 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t -141.75 144.4 33.99 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.441 1.018 . . . . 0.0 112.648 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.5 t -143.15 133.22 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.174 1.39 . . . . 0.0 109.812 -175.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -78.91 127.95 32.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.83 0.824 . . . . 0.0 110.328 166.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.2 mt -79.58 -9.61 59.65 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.944 1.697 . . . . 0.0 114.287 -172.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -68.03 -9.39 45.45 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.0 p -142.95 147.45 41.48 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 126.076 1.751 . . . . 0.0 110.304 -171.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.94 135.27 58.26 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.239 2.626 . . . . 0.0 110.842 161.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -74.8 158.04 34.13 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.45 151.24 32.77 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.038 1.335 . . . . 0.0 113.507 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.42 -20.53 64.58 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 -170.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.48 -46.37 80.03 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.343 1.428 . . . . 0.0 110.624 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -71.71 -22.59 61.61 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.34 1.056 . . . . 0.0 112.872 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.91 -21.22 60.81 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 169.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -128.01 12.21 6.65 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.547 1.539 . . . . 0.0 114.132 -173.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -83.52 131.85 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.637 1.108 . . . . 0.0 109.852 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -78.59 135.8 37.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.654 1.181 . . . . 0.0 112.488 -171.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.3 mt -80.81 131.79 35.43 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.906 1.682 . . . . 0.0 110.542 170.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.02 -25.88 67.22 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.86 -172.72 32.68 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.091 0.853 . . . . 0.0 114.163 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -68.84 152.87 44.74 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.697 1.999 . . . . 0.0 112.798 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 32.9 ttp -69.81 60.13 0.16 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.471 2.308 . . . . 0.0 114.686 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.484 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 15.7 t80 -51.34 -50.86 58.64 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.349 1.059 . . . . 0.0 113.602 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.484 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 15.0 ttpt -156.78 145.43 19.91 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 119.497 1.044 . . . . 0.0 112.953 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.7 m -132.22 150.68 52.1 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.074 1.35 . . . . 0.0 110.555 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -134.51 151.67 51.28 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.029 2.132 . . . . 0.0 111.862 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -145.82 146.05 31.01 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.656 1.183 . . . . 0.0 112.589 -169.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.416 ' HE1' HG12 ' A' ' 63' ' ' VAL . 14.1 m-85 -133.73 136.91 44.93 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.835 1.254 . . . . 0.0 110.945 -163.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -76.53 164.04 26.33 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.781 0.719 . . . . 0.0 111.526 174.184 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -47.67 112.2 0.52 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.793 1.237 . . . . 0.0 112.258 175.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.68 6.21 70.54 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.44 1.495 . . . . 0.0 115.398 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -90.2 164.87 14.25 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.476 1.638 . . . . 0.0 112.984 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.2 p -138.22 -4.07 1.72 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.416 1.886 . . . . 0.0 114.432 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -129.46 139.68 51.53 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.498 1.919 . . . . 0.0 108.329 166.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 t -67.18 156.53 36.0 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -170.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.5 t -122.99 -18.68 6.33 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.299 1.84 . . . . 0.0 113.66 173.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.427 ' CE1' HG22 ' A' ' 53' ' ' THR . 28.0 t80 -129.06 138.6 51.97 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.346 0.976 . . . . 0.0 109.909 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.524 HG23 ' NE2' ' B' ' 13' ' ' HIS . 0.9 OUTLIER -143.12 151.39 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 125.295 1.438 . . . . 0.0 110.808 -172.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.2 mt -144.14 124.48 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 -170.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -98.4 137.03 37.69 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.026 1.33 . . . . 0.0 109.225 -175.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.34 -176.52 23.43 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.46 0.552 . . . . 0.0 113.649 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.8 136.06 34.54 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.033 2.489 . . . . 0.0 111.772 -173.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 133.92 157.66 8.33 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 127.941 2.686 . . . . 0.0 109.074 -171.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -135.26 -28.31 1.16 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -171.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.1 t -146.5 128.11 15.15 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.294 1.406 . . . . 0.0 112.357 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -71.04 -4.79 26.83 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 172.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -169.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.593 0 CA-C-O 121.09 0.272 . . . . 0.0 113.665 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.524 ' NE2' HG23 ' A' ' 109' ' ' VAL . 37.3 p-80 . . . . . 0 N--CA 1.466 0.373 0 CA-C-O 122.245 1.021 . . . . 0.0 111.868 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 t70 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -126.84 -9.95 6.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.94 1.696 . . . . 0.0 114.508 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.84 -20.3 5.04 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -175.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -96.39 9.32 41.61 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.768 1.227 . . . . 0.0 112.11 171.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.1 t -57.14 165.7 1.28 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.805 2.042 . . . . 0.0 114.785 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.668 HD23 HG11 ' A' ' 63' ' ' VAL . 58.1 tp -110.07 142.47 41.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.445 1.898 . . . . 0.0 107.028 161.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.7 149.4 26.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 123.605 1.669 . . . . 0.0 112.397 162.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 112.301 -2.227 . . . . 0.0 112.113 -172.629 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.1 mt -57.81 -37.89 74.57 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.331 169.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.06 -43.07 62.15 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 119.808 1.185 . . . . 0.0 113.687 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -76.85 -39.08 52.42 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.923 1.289 . . . . 0.0 112.83 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.1 tp -73.09 -42.58 62.83 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -62.37 -41.25 98.47 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.986 1.715 . . . . 0.0 111.105 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.91 -39.32 93.9 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.37 -0.831 . . . . 0.0 111.862 171.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -55.82 -57.28 12.7 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.653 0.781 . . . . 0.0 110.807 170.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.77 -34.36 78.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.096 0.958 . . . . 0.0 113.305 -171.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mtt-85 -64.61 -34.03 77.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.305 0.642 . . . . 0.0 111.874 170.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -72.36 -40.49 67.3 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 172.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.23 -38.09 73.24 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.33 -50.94 71.63 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.886 -1.134 . . . . 0.0 112.785 172.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -58.71 -42.2 88.12 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.329 0.968 . . . . 0.0 111.976 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -65.02 -32.43 74.15 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 127.488 2.315 . . . . 0.0 114.564 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.05 -27.3 2.28 Favored Glycine 0 CA--C 1.538 1.508 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 -161.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.8 p -93.33 165.84 12.59 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.625 1.212 . . . . 0.0 113.447 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -73.51 -36.16 65.71 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.685 -0.634 . . . . 0.0 110.51 170.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -149.2 148.96 30.22 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.403 2.281 . . . . 0.0 110.3 171.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -105.64 -19.99 13.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.921 1.688 . . . . 0.0 113.448 176.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.97 -24.59 67.78 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 -168.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.7 pm0 -79.72 -17.94 52.4 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.018 1.727 . . . . 0.0 112.773 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -73.65 153.67 40.04 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 122.128 0.966 . . . . 0.0 111.407 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -131.3 -40.67 1.12 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.598 1.559 . . . . 0.0 111.576 -171.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HD2' HG23 ' A' ' 73' ' ' THR . 15.9 pttt -144.88 171.9 13.78 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.845 0.831 . . . . 0.0 113.189 174.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -136.6 164.0 29.24 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 125.947 1.699 . . . . 0.0 111.138 167.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.548 HG11 HD23 ' B' ' 20' ' ' LEU . 5.5 p -138.1 130.35 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 125.257 1.423 . . . . 0.0 109.408 172.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.3 mt -110.47 131.68 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 125.046 1.338 . . . . 0.0 107.864 -170.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.7 mt -115.34 108.07 16.06 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.287 1.035 . . . . 0.0 109.786 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.1 p -100.59 167.57 10.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.823 0.849 . . . . 0.0 111.853 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -52.63 159.64 1.03 Allowed 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.132 -0.98 . . . . 0.0 111.229 160.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 60.35 42.41 14.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.317 1.047 . . . . 0.0 113.307 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt 63.82 13.19 7.31 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.452 2.301 . . . . 0.0 114.929 166.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.0 126.13 22.98 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.561 0.601 . . . . 0.0 112.077 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -128.81 110.99 12.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.402 1.881 . . . . 0.0 106.498 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -124.17 103.39 8.23 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.237 0.615 . . . . 0.0 110.872 -171.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.438 HG23 ' HD2' ' A' ' 61' ' ' LYS . 2.3 m -72.16 138.45 47.65 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.677 0.791 . . . . 0.0 110.208 167.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.5 t -138.71 126.36 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.019 1.327 . . . . 0.0 109.573 171.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -86.3 115.15 23.66 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.952 0.901 . . . . 0.0 110.067 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.87 -23.68 44.73 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.77 1.628 . . . . 0.0 112.645 -174.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -67.94 7.99 0.46 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 126.241 1.817 . . . . 0.0 114.579 175.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.86 142.46 17.9 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 126.985 2.114 . . . . 0.0 110.07 169.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -50.04 144.52 21.83 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 125.206 3.937 . . . . 0.0 113.163 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -55.96 141.19 40.54 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -174.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.01 118.48 7.89 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.85 0.46 . . . . 0.0 110.436 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.98 -19.36 61.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -171.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -65.18 -24.94 67.51 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.813 1.245 . . . . 0.0 113.3 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -58.76 -23.48 60.11 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.824 1.25 . . . . 0.0 112.592 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.18 -10.22 56.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.457 1.103 . . . . 0.0 113.262 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -126.21 -4.08 6.81 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.123 1.369 . . . . 0.0 113.87 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 p -80.86 146.01 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 120.852 -1.155 . . . . 0.0 110.897 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -77.83 156.41 30.46 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.53 1.132 . . . . 0.0 113.029 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.15 121.37 43.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.636 1.574 . . . . 0.0 109.414 170.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.2 mt -53.11 -30.7 38.0 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.599 1.56 . . . . 0.0 114.164 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.07 -172.53 35.15 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.576 1.084 . . . . 0.0 113.174 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -63.82 148.31 49.63 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.079 1.752 . . . . 0.0 114.223 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttt -66.68 64.48 0.05 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 128.327 2.651 . . . . 0.0 113.735 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -58.29 -49.02 78.63 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.412 -1.43 . . . . 0.0 113.26 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -156.88 158.65 37.1 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.3 m -141.0 148.18 39.89 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.606 1.562 . . . . 0.0 110.515 171.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -126.09 151.17 47.55 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.552 1.541 . . . . 0.0 111.847 174.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -132.18 151.22 51.91 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.032 1.333 . . . . 0.0 112.197 -170.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -140.48 130.89 25.27 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.148 0.979 . . . . 0.0 110.377 -166.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.33 176.99 8.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.039 1.336 . . . . 0.0 109.789 169.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -49.06 119.9 3.57 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.94 1.74 49.15 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 118.24 2.056 . . . . 0.0 118.24 172.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -64.93 160.1 21.39 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 120.876 2.338 . . . . 0.0 114.538 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 63.5 p -129.62 6.54 5.19 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.923 1.689 . . . . 0.0 114.348 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -140.34 136.52 33.28 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.749 -1.22 . . . . 0.0 109.568 161.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 t -70.22 157.39 37.75 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -130.63 7.06 4.81 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.449 2.299 . . . . 0.0 112.596 167.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -143.15 132.98 23.98 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.587 1.54 . . . . 0.0 111.144 170.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.406 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -147.97 153.01 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.607 0 C-N-CA 123.999 0.92 . . . . 0.0 111.626 -169.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.7 mt -142.72 137.91 27.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 124.077 0.951 . . . . 0.0 108.607 -164.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -108.29 156.14 19.71 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.189 1.396 . . . . 0.0 110.965 -170.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.61 -170.77 34.49 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -67.16 133.51 30.97 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 123.133 2.555 . . . . 0.0 111.159 -178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 149.27 156.29 7.12 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 127.944 2.688 . . . . 0.0 109.636 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -131.72 -26.3 2.02 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -165.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.4 t -156.34 142.18 17.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.395 1.078 . . . . 0.0 110.231 168.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -78.93 -18.37 53.94 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.508 -0.745 . . . . 0.0 111.828 168.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 115.329 1.604 . . . . 0.0 115.329 -174.311 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.923 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.406 ' NE2' HG13 ' A' ' 109' ' ' VAL . 33.2 p-80 . . . . . 0 CA--C 1.52 -0.173 0 C-N-CA 123.471 0.708 . . . . 0.0 112.643 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -140.89 21.13 2.31 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.148 0.979 . . . . 0.0 113.227 167.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -167.04 -35.7 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.252 1.421 . . . . 0.0 113.325 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -78.79 -8.91 59.21 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -173.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.3 t -39.09 166.35 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 131.096 3.758 . . . . 0.0 117.55 172.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.548 HD23 HG11 ' A' ' 63' ' ' VAL . 29.2 tp -103.28 117.65 34.98 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.506 1.522 . . . . 0.0 107.461 160.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -78.36 111.92 14.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.938 1.695 . . . . 0.0 110.429 162.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 127.723 2.409 . . . . 0.0 114.32 -172.264 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 p . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 121.718 0.77 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.09 -32.57 73.98 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -169.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.82 -40.22 33.65 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 119.085 0.857 . . . . 0.0 114.569 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -65.58 -37.93 88.06 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.18 0.99 . . . . 0.0 113.345 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -72.53 -39.21 67.7 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.16 0.584 . . . . 0.0 111.632 175.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.58 -40.57 75.45 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.355 0.98 . . . . 0.0 112.691 173.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -63.7 -47.06 82.66 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.106 0.562 . . . . 0.0 110.48 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -59.06 -46.07 89.19 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.23 1.012 . . . . 0.0 112.096 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.15 -40.79 78.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.836 1.254 . . . . 0.0 113.6 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -65.06 -26.87 68.43 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.406 173.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.72 -42.57 58.09 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 167.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -57.35 -28.68 63.35 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 172.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.76 -50.99 64.66 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 120.867 -1.145 . . . . 0.0 113.116 167.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -70.72 -34.98 72.48 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -175.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -68.39 -32.81 73.14 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.914 1.286 . . . . 0.0 113.339 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.43 -22.09 5.93 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 116.447 1.339 . . . . 0.0 116.447 -162.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.1 p -105.69 161.95 13.95 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.515 1.126 . . . . 0.0 112.715 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -64.16 -37.26 86.82 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.856 -0.527 . . . . 0.0 111.383 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -157.48 115.01 3.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.824 1.65 . . . . 0.0 112.903 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -61.73 -31.05 71.19 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.794 1.238 . . . . 0.0 114.2 170.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.8 -13.41 62.1 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -164.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -78.09 -19.25 54.56 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.505 1.048 . . . . 0.0 113.003 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 97.0 m-85 -78.95 150.15 32.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.939 0.896 . . . . 0.0 111.209 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -123.85 -29.43 3.68 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -176.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -151.04 172.24 16.05 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 122.078 0.942 . . . . 0.0 112.64 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -142.57 157.99 44.13 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.119 1.767 . . . . 0.0 111.13 177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.643 HG11 HD23 ' B' ' 20' ' ' LEU . 10.8 p -139.12 141.99 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.431 1.493 . . . . 0.0 109.306 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.2 mt -128.7 119.82 50.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -164.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -105.87 132.89 51.43 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.419 1.087 . . . . 0.0 108.755 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.2 p -118.58 168.26 10.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.641 0.776 . . . . 0.0 111.178 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.64 171.88 1.41 Allowed 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.681 -0.637 . . . . 0.0 110.389 160.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 56.52 32.74 21.36 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.659 1.183 . . . . 0.0 112.926 -177.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt 63.45 21.69 12.88 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 130.191 3.396 . . . . 0.0 117.538 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.0 152.25 41.87 Favored Glycine 0 CA--C 1.54 1.629 0 N-CA-C 115.746 1.058 . . . . 0.0 115.746 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -142.97 136.74 28.81 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 128.544 2.738 . . . . 0.0 107.286 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -146.03 144.45 30.08 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.95 1.3 . . . . 0.0 109.613 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -134.99 139.29 44.77 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 119.791 1.178 . . . . 0.0 112.965 -178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.0 t -146.46 126.31 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.689 1.196 . . . . 0.0 111.193 -171.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.05 139.12 52.58 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.849 0.86 . . . . 0.0 112.236 169.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.6 mt -93.83 -14.0 26.64 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.328 2.251 . . . . 0.0 112.864 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -66.56 -12.47 57.92 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.379 -0.826 . . . . 0.0 112.762 170.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.8 p -145.69 146.75 30.41 Favored Pre-proline 0 C--O 1.238 0.461 0 C-N-CA 126.274 1.83 . . . . 0.0 110.489 -166.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.71 144.35 99.53 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.74 2.294 . . . . 0.0 110.879 163.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -68.48 131.24 44.93 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.785 0.72 . . . . 0.0 111.756 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.18 163.07 8.66 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -173.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.76 -34.54 53.53 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 -170.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -78.2 -36.0 47.84 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.884 -1.135 . . . . 0.0 111.831 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.22 -26.85 65.01 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.635 1.574 . . . . 0.0 111.746 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -59.32 -29.59 67.75 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.255 1.022 . . . . 0.0 112.733 170.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -127.67 5.99 6.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.727 1.211 . . . . 0.0 114.081 -164.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.8 p -57.88 141.32 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.754 1.222 . . . . 0.0 110.793 168.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -78.16 127.93 33.01 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.628 1.171 . . . . 0.0 111.313 -167.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.83 120.27 23.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.62 0.768 . . . . 0.0 110.953 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.47 -31.74 69.0 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.649 1.579 . . . . 0.0 114.011 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.88 -175.91 39.22 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.913 1.244 . . . . 0.0 111.695 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -57.16 145.25 31.94 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.784 0.834 . . . . 0.0 111.237 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -57.2 116.69 3.42 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 167.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.35 -55.69 3.56 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -154.44 142.05 19.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.078 0.951 . . . . 0.0 110.948 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.2 m -117.32 146.06 43.6 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.808 1.243 . . . . 0.0 109.194 173.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -128.44 148.09 50.7 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.087 1.755 . . . . 0.0 110.971 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -137.67 140.24 40.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.675 1.19 . . . . 0.0 112.03 -168.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.427 ' HE1' HG12 ' A' ' 63' ' ' VAL . 27.7 m-85 -129.13 130.37 46.35 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.083 1.353 . . . . 0.0 110.821 -165.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 16.5 mttt -75.43 162.02 28.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.201 0.6 . . . . 0.0 112.222 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -46.72 108.25 0.13 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.438 1.895 . . . . 0.0 112.168 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.14 23.31 41.4 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.982 1.153 . . . . 0.0 115.982 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -120.69 170.79 9.1 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.202 1.501 . . . . 0.0 112.554 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 p -142.59 -4.45 0.97 Allowed 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -167.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -130.24 135.99 48.72 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.157 1.783 . . . . 0.0 107.866 167.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.7 p -61.85 166.39 4.52 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -168.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.6 t -133.44 -12.79 2.7 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 170.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.46 ' CE2' HD11 ' A' ' 110' ' ' ILE . 72.0 t80 -135.14 141.77 46.03 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.131 1.372 . . . . 0.0 108.484 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.514 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -150.94 154.77 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 126.285 1.834 . . . . 0.0 110.845 -172.476 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.46 HD11 ' CE2' ' A' ' 108' ' ' TYR . 8.1 mt -148.8 141.78 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 123.808 0.843 . . . . 0.0 108.877 -171.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -99.18 158.0 15.98 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.406 1.482 . . . . 0.0 110.543 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.61 -172.22 12.5 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.307 -0.871 . . . . 0.0 114.203 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -79.9 30.87 0.48 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 123.837 3.025 . . . . 0.0 113.518 -174.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.37 156.94 21.53 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 127.185 2.326 . . . . 0.0 110.961 171.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -129.0 -18.21 3.78 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.588 1.555 . . . . 0.0 113.671 -160.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.7 t -157.32 143.61 17.9 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.086 1.355 . . . . 0.0 109.628 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -70.22 -31.25 68.59 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.351 -0.843 . . . . 0.0 111.536 173.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 CA--C 1.54 0.586 0 C-N-CA 125.998 1.719 . . . . 0.0 112.192 -176.547 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.402 0 N-CA-C 116.08 1.192 . . . . 0.0 116.08 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.514 ' CD2' HG23 ' A' ' 109' ' ' VAL . 50.9 p-80 . . . . . 0 N--CA 1.466 0.363 0 O-C-N 121.265 -1.138 . . . . 0.0 113.51 175.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -132.81 -24.06 1.97 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.681 1.592 . . . . 0.0 112.981 168.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.61 -6.69 0.52 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 178.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -66.31 -21.54 66.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.039 0.936 . . . . 0.0 111.955 172.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.0 t -47.81 153.85 0.57 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 118.508 2.781 . . . . 0.0 118.508 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.643 HD23 HG11 ' A' ' 63' ' ' VAL . 55.7 tp -104.38 128.98 52.32 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.462 1.905 . . . . 0.0 107.236 160.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 131.37 34.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 126.062 1.745 . . . . 0.0 110.437 160.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.47 0.529 0 CA-C-N 114.545 -1.207 . . . . 0.0 112.242 -179.652 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 120.932 0.396 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -56.83 -31.69 65.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 118.325 -0.845 . . . . 0.0 112.997 173.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.69 -27.62 13.3 Favored Glycine 0 CA--C 1.538 1.498 0 N-CA-C 115.844 1.098 . . . . 0.0 115.844 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -101.01 -45.15 5.5 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.426 1.113 . . . . 0.0 112.469 173.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.74 -42.1 96.67 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.94 -35.66 73.49 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.459 1.027 . . . . 0.0 112.312 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -72.35 -32.0 66.1 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.708 -0.62 . . . . 0.0 111.925 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -73.99 -38.34 64.16 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.604 -0.685 . . . . 0.0 112.528 168.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.04 -34.11 72.84 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.546 1.521 . . . . 0.0 113.418 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -61.52 -36.98 82.06 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.966 0.803 . . . . 0.0 111.122 165.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.29 -46.14 81.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.07 -0.966 . . . . 0.0 111.687 170.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -56.13 -31.65 63.51 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 120.445 1.475 . . . . 0.0 114.256 173.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mt -67.45 -51.01 56.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 119.77 1.168 . . . . 0.0 112.921 171.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -69.01 -35.37 76.6 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -82.73 -17.83 42.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.413 2.285 . . . . 0.0 113.347 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.89 0.94 8.48 Favored Glycine 0 CA--C 1.533 1.205 0 N-CA-C 116.477 1.351 . . . . 0.0 116.477 -172.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -125.83 166.52 16.7 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.513 1.657 . . . . 0.0 113.385 170.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -74.72 -34.49 62.58 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.284 1.034 . . . . 0.0 111.987 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -151.88 117.61 5.42 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.291 1.836 . . . . 0.0 111.045 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.3 p -83.54 -14.95 51.07 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.44 62.65 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -172.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -75.53 -18.92 59.65 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.732 1.213 . . . . 0.0 112.903 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -82.62 150.93 26.56 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.995 0.918 . . . . 0.0 112.096 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -132.55 -34.71 1.17 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.019 0.928 . . . . 0.0 112.556 -166.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -151.26 175.67 11.97 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.801 0.81 . . . . 0.0 112.266 171.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -147.24 164.9 31.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.827 -1.533 . . . . 0.0 112.669 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.647 HG11 HD23 ' B' ' 20' ' ' LEU . 14.3 p -141.91 144.33 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 125.577 1.551 . . . . 0.0 109.403 174.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.4 mt -129.77 127.8 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 125.418 1.487 . . . . 0.0 107.834 -162.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.3 mt -111.71 123.86 51.12 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.354 1.062 . . . . 0.0 108.411 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.8 p -112.02 167.83 10.08 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 122.034 0.921 . . . . 0.0 111.763 -174.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -50.0 154.63 1.08 Allowed 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.621 160.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 56.25 36.67 27.86 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.975 1.31 . . . . 0.0 114.37 -175.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt 55.74 29.33 13.64 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.57 2.348 . . . . 0.0 115.674 172.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.29 147.95 46.61 Favored Glycine 0 CA--C 1.535 1.307 0 O-C-N 121.317 -0.864 . . . . 0.0 112.971 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -142.39 125.2 16.02 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.571 2.349 . . . . 0.0 108.075 177.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -144.81 144.13 30.99 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.009 1.324 . . . . 0.0 110.405 -173.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.0 t -135.16 140.42 45.37 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.521 1.055 . . . . 0.0 111.963 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.3 t -143.73 145.89 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.445 1.498 . . . . 0.0 108.625 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -91.58 142.74 27.31 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 122.18 0.991 . . . . 0.0 111.486 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.3 mt -87.6 -12.33 45.96 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.289 1.435 . . . . 0.0 111.633 176.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -56.39 -27.71 57.09 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.393 1.477 . . . . 0.0 114.111 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -148.87 163.03 27.44 Favored Pre-proline 0 C--O 1.239 0.546 0 C-N-CA 126.914 2.085 . . . . 0.0 108.687 -169.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -67.76 148.99 78.35 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.942 2.428 . . . . 0.0 110.255 160.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.16 153.18 44.26 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.5 159.53 34.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.416 1.086 . . . . 0.0 113.517 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -51.84 -31.79 29.14 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.799 1.239 . . . . 0.0 114.222 173.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.57 -10.68 59.17 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.365 1.466 . . . . 0.0 113.115 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -120.82 -23.89 5.82 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.786 2.034 . . . . 0.0 112.052 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -56.85 -29.11 62.55 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.731 -1.231 . . . . 0.0 113.207 169.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -122.81 9.43 9.46 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.196 1.398 . . . . 0.0 113.619 -170.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.1 p -70.7 131.11 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.296 0.953 . . . . 0.0 110.572 174.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.0 mp0 -78.03 119.87 22.06 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.659 -0.651 . . . . 0.0 111.686 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.38 137.38 56.84 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.255 1.422 . . . . 0.0 111.67 171.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.38 -23.54 65.59 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.956 1.303 . . . . 0.0 114.134 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.16 -174.08 40.72 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.007 1.289 . . . . 0.0 112.599 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -57.8 145.6 34.43 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.288 1.035 . . . . 0.0 111.804 171.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -55.36 131.54 45.98 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.398 0.679 . . . . 0.0 109.591 166.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -123.96 -34.57 2.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 119.134 -0.46 . . . . 0.0 112.134 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -137.93 153.46 49.5 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.476 1.11 . . . . 0.0 110.561 166.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.3 m -136.47 144.8 44.56 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.218 1.007 . . . . 0.0 109.225 161.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CD2' ' CG1' ' A' ' 109' ' ' VAL . 59.4 m-85 -125.6 137.48 53.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.467 1.907 . . . . 0.0 109.682 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -131.52 144.37 51.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.848 1.259 . . . . 0.0 112.32 -169.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -130.52 132.52 45.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.512 1.525 . . . . 0.0 110.191 -166.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.33 163.98 26.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.764 0.711 . . . . 0.0 111.413 173.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -50.52 106.77 0.13 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.406 1.083 . . . . 0.0 113.127 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.81 -11.05 34.99 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.927 1.727 . . . . 0.0 115.721 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -91.77 157.25 17.01 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.907 1.854 . . . . 0.0 114.897 -167.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.2 m -137.09 23.18 3.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.2 2.2 . . . . 0.0 113.014 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -148.04 140.07 24.08 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.067 1.747 . . . . 0.0 107.575 160.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.6 p -64.28 165.06 10.05 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.8 t -131.73 -10.24 3.52 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.996 1.319 . . . . 0.0 112.725 165.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -140.22 138.63 35.25 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.982 1.313 . . . . 0.0 109.101 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.488 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -154.63 155.4 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.77 1.628 . . . . 0.0 112.585 -167.506 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -151.6 137.37 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.407 0.683 . . . . 0.0 109.379 -167.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -91.85 149.27 21.66 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.139 1.376 . . . . 0.0 110.374 172.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.35 177.95 18.16 Favored Glycine 0 N--CA 1.478 1.471 0 CA-C-O 118.913 -0.937 . . . . 0.0 115.289 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.55 26.34 0.39 Allowed 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 125.198 3.932 . . . . 0.0 116.117 -169.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.86 -165.62 41.45 Favored Glycine 0 CA--C 1.539 1.563 0 N-CA-C 108.352 -1.899 . . . . 0.0 108.352 160.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -138.39 -18.41 1.12 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.848 1.259 . . . . 0.0 112.932 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -166.02 172.98 10.85 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 128.268 2.627 . . . . 0.0 107.977 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -87.42 -31.49 20.03 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.946 -1.096 . . . . 0.0 111.73 161.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 CA--C 1.543 0.708 0 C-N-CA 125.075 1.35 . . . . 0.0 112.021 178.723 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 N-CA-C 119.09 2.396 . . . . 0.0 119.09 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.488 ' CD2' HG23 ' A' ' 109' ' ' VAL . 48.2 p-80 . . . . . 0 N--CA 1.467 0.409 0 C-N-CA 124.757 1.223 . . . . 0.0 111.488 167.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.309 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -140.37 13.4 2.37 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.163 1.385 . . . . 0.0 112.887 170.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -168.6 -24.63 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.165 1.786 . . . . 0.0 114.148 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.64 -24.35 63.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.247 1.019 . . . . 0.0 113.405 172.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -41.95 157.24 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 131.424 3.89 . . . . 0.0 121.026 -174.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.647 HD23 HG11 ' A' ' 63' ' ' VAL . 39.2 tp -102.11 127.0 49.21 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 126.765 2.026 . . . . 0.0 107.858 160.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -91.79 113.8 26.16 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.719 2.408 . . . . 0.0 111.198 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 mp . . . . . 0 CA--C 1.546 0.794 0 C-N-CA 127.204 2.201 . . . . 0.0 112.52 173.33 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 121.582 0.706 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.16 -34.68 78.96 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -167.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.25 -44.03 89.28 Favored Glycine 0 N--CA 1.471 0.971 0 CA-C-N 120.219 1.372 . . . . 0.0 114.81 175.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -67.56 -37.93 83.39 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.858 0.863 . . . . 0.0 111.149 176.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.75 -41.97 91.51 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.77 -37.67 79.7 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.561 1.144 . . . . 0.0 112.448 174.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -67.99 -39.54 83.24 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.257 1.023 . . . . 0.0 111.469 176.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -65.16 -51.3 61.99 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.179 0.992 . . . . 0.0 112.296 170.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 mt -67.64 -33.47 75.03 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -175.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -62.8 -32.22 73.36 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.657 1.117 . . . . 0.0 111.169 169.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -74.48 -38.76 62.81 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 171.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -64.37 -30.13 71.18 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.628 1.104 . . . . 0.0 113.639 172.064 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -49.77 76.21 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.742 -1.224 . . . . 0.0 112.826 173.38 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.19 -46.39 90.67 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.327 0.651 . . . . 0.0 112.292 178.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -76.87 -18.25 58.46 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.16 -6.56 27.69 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 118.756 0.707 . . . . 0.0 114.01 -171.175 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.7 p -115.98 174.64 5.93 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -79.96 -40.62 27.64 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.894 0.878 . . . . 0.0 110.188 172.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.5 157.62 44.3 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.796 2.438 . . . . 0.0 109.729 168.627 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.9 t -126.21 -9.28 6.45 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -175.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.09 -26.35 66.68 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -177.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.7 pm0 -83.45 -9.8 58.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.89 2.076 . . . . 0.0 113.127 -171.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 70.3 m-85 -74.33 155.34 38.29 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.66 1.184 . . . . 0.0 113.038 179.291 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -126.97 -39.92 1.91 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.139 1.376 . . . . 0.0 111.716 -170.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -156.43 175.1 14.47 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.735 1.214 . . . . 0.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -147.68 160.94 42.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.969 -1.469 . . . . 0.0 113.566 177.076 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.2 t -139.14 140.9 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 126.445 1.898 . . . . 0.0 109.97 176.646 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.81 138.62 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 126.028 1.731 . . . . 0.0 108.688 177.409 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.1 mt -119.92 118.81 31.7 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.591 1.156 . . . . 0.0 108.698 169.409 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.9 p -102.48 174.14 6.03 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.754 0.822 . . . . 0.0 112.12 -175.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.34 163.85 0.37 Allowed 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.451 -0.781 . . . . 0.0 110.343 160.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 60.34 32.21 20.63 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.398 1.079 . . . . 0.0 112.823 174.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt 52.0 27.51 4.49 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 129.5 3.12 . . . . 0.0 116.156 179.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.2 145.91 49.97 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.592 -0.693 . . . . 0.0 113.4 172.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -137.1 132.65 34.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 127.516 2.326 . . . . 0.0 108.667 173.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -143.52 144.06 31.81 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.527 1.131 . . . . 0.0 110.493 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 t -135.92 143.07 44.76 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.605 0.762 . . . . 0.0 112.571 177.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.9 t -143.1 135.39 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.865 1.266 . . . . 0.0 108.459 175.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -76.36 153.07 36.1 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.16 0.981 . . . . 0.0 111.239 170.07 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -109.54 -15.35 14.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.656 1.982 . . . . 0.0 112.025 -178.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -58.56 -15.52 11.69 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 163.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.2 p -148.15 157.5 42.73 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.967 1.707 . . . . 0.0 110.752 -176.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -63.25 152.98 77.08 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.713 2.942 . . . . 0.0 112.881 162.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -61.2 151.89 30.25 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.31 156.9 35.1 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 174.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -55.52 -35.63 65.84 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 -166.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -84.79 -25.41 28.2 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 120.774 1.625 . . . . 0.0 112.718 -174.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.2 mtt85 -62.1 -20.73 64.34 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.372 1.069 . . . . 0.0 111.816 168.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -65.14 -27.74 68.93 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.4 -0.813 . . . . 0.0 112.896 176.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -121.85 -7.38 9.0 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -167.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.32 126.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 119.035 0.834 . . . . 0.0 111.317 -178.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.61 125.94 28.22 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.392 1.077 . . . . 0.0 111.285 177.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.39 132.06 44.27 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.423 1.489 . . . . 0.0 111.46 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.52 -25.89 66.45 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.021 1.328 . . . . 0.0 113.815 178.001 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.55 -174.95 38.33 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.777 1.18 . . . . 0.0 113.817 177.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -68.66 154.38 42.03 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.241 1.416 . . . . 0.0 113.435 176.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.4 ttp -72.15 68.05 0.7 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.837 2.055 . . . . 0.0 114.901 -173.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -55.15 -44.3 75.0 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.618 -1.302 . . . . 0.0 113.823 178.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -157.44 153.4 27.1 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.0 m -137.45 151.01 48.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.362 1.465 . . . . 0.0 110.435 176.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -136.55 140.19 42.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.401 2.28 . . . . 0.0 110.36 -169.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -140.52 150.23 43.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.493 1.117 . . . . 0.0 112.784 -170.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CZ ' HD13 ' B' ' 22' ' ' LEU . 14.8 m-85 -139.63 131.55 27.72 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.681 1.193 . . . . 0.0 109.544 -164.481 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -70.87 169.62 14.33 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 118.947 0.794 . . . . 0.0 112.818 171.915 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.45 40.73 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 130.046 3.338 . . . . 0.0 114.555 174.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.87 30.31 0.02 OUTLIER Glycine 0 CA--C 1.536 1.359 0 C-N-CA 127.48 2.467 . . . . 0.0 113.192 -165.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -141.73 151.05 42.58 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.964 1.306 . . . . 0.0 112.513 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.9 p -136.25 9.28 3.21 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.626 1.171 . . . . 0.0 113.173 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -129.55 125.41 36.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.976 1.311 . . . . 0.0 108.425 163.293 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.5 p -62.7 115.16 4.06 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -164.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.3 p -72.03 -25.57 61.86 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 169.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -125.66 141.75 51.86 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.574 1.15 . . . . 0.0 110.069 -176.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.414 HG23 ' NE2' ' B' ' 13' ' ' HIS . 3.9 m -146.03 161.79 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 126.213 1.805 . . . . 0.0 111.564 -175.684 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.5 mt -143.38 130.14 17.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 176.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -96.72 147.62 23.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.416 0.686 . . . . 0.0 109.343 176.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.77 -174.17 25.28 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 121.79 -0.569 . . . . 0.0 114.512 -171.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -67.55 122.97 10.23 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.003 2.468 . . . . 0.0 111.623 -175.04 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.28 -26.59 0.42 Allowed Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.427 1.489 . . . . 0.0 114.478 174.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? 59.4 -19.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 128.8 2.84 . . . . 0.0 117.688 178.465 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -166.72 154.31 9.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.963 1.256 . . . . 0.0 110.653 177.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -77.83 -29.44 50.56 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.986 -0.446 . . . . 0.0 111.835 167.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 124.25 1.02 . . . . 0.0 111.942 176.194 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.137 0 N-CA-C 116.143 1.217 . . . . 0.0 116.143 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.414 ' NE2' HG23 ' A' ' 109' ' ' VAL . 44.8 p-80 . . . . . 0 N--CA 1.469 0.508 0 C-N-CA 124.861 1.264 . . . . 0.0 112.768 174.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 CA--C 1.544 0.721 0 CA-C-O 120.998 0.428 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -134.38 2.32 3.25 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.214 1.405 . . . . 0.0 114.313 -174.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -138.37 -39.94 0.52 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.871 1.268 . . . . 0.0 112.81 -170.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.01 12.16 16.28 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.801 1.64 . . . . 0.0 112.223 177.111 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -62.04 157.77 18.07 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.866 2.066 . . . . 0.0 114.337 172.422 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.3 tp -102.69 127.44 49.81 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.155 1.782 . . . . 0.0 108.934 164.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -91.14 105.93 18.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.796 2.039 . . . . 0.0 112.102 172.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 5.2 mp . . . . . 0 N--CA 1.472 0.667 0 C-N-CA 125.928 1.691 . . . . 0.0 114.582 -176.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -30.92 68.79 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.658 -174.772 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.52 -41.45 64.18 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 121.142 -0.974 . . . . 0.0 114.161 176.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -76.39 -37.94 56.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.777 0.831 . . . . 0.0 112.145 175.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.8 tp -68.95 -42.7 76.34 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 179.182 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.15 -41.94 76.2 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.648 1.179 . . . . 0.0 112.067 172.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.02 -40.4 97.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.734 0.414 . . . . 0.0 111.32 175.308 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -66.15 -43.45 87.0 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.194 -0.942 . . . . 0.0 112.629 172.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.0 mt -69.46 -33.79 73.44 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.003 -1.061 . . . . 0.0 113.197 -178.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -67.29 -35.32 79.23 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.137 0.88 . . . . 0.0 111.124 169.628 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -64.21 -47.11 80.99 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.456 0.571 . . . . 0.0 111.654 169.05 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -57.36 -35.16 69.59 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 174.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.92 -49.74 69.24 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.024 1.284 . . . . 0.0 112.61 174.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -67.8 -40.85 83.86 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -65.17 -41.43 94.65 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 171.002 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.42 -12.23 39.24 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 116.27 1.268 . . . . 0.0 116.27 -160.29 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.5 p -118.76 154.39 32.87 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.948 1.374 . . . . 0.0 112.008 177.19 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -71.53 -30.52 66.01 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.233 1.013 . . . . 0.0 112.219 177.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -148.97 111.22 4.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.035 1.734 . . . . 0.0 112.073 167.13 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.3 p -71.32 -17.36 62.45 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 175.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.35 -7.51 53.11 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -169.337 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -83.86 -17.28 41.42 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.646 1.178 . . . . 0.0 114.063 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.3 m-85 -80.18 154.75 27.78 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.589 0.756 . . . . 0.0 112.628 -174.549 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -122.61 -28.55 4.19 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -157.88 171.28 20.57 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.687 1.595 . . . . 0.0 111.964 177.251 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -145.74 158.37 43.86 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.733 2.013 . . . . 0.0 111.348 175.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.622 HG11 HD23 ' B' ' 20' ' ' LEU . 13.7 p -142.95 138.68 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.104 1.362 . . . . 0.0 109.798 -178.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.1 mt -126.01 128.84 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.686 1.594 . . . . 0.0 108.335 -160.167 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -118.29 118.22 31.21 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.564 1.146 . . . . 0.0 109.617 178.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.6 p -107.97 176.52 5.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.878 0.871 . . . . 0.0 111.934 -175.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.27 172.62 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.092 -1.005 . . . . 0.0 111.379 160.033 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 53.11 31.82 11.99 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.114 1.366 . . . . 0.0 113.504 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 61.3 24.48 14.58 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.694 1.998 . . . . 0.0 113.327 174.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.14 143.13 44.19 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 121.376 -0.827 . . . . 0.0 113.147 175.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -143.77 128.83 18.6 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.797 2.439 . . . . 0.0 107.448 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -144.97 143.52 30.57 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.817 1.247 . . . . 0.0 110.195 -177.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.6 t -128.91 140.1 51.83 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.918 0.887 . . . . 0.0 111.613 -177.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.1 t -143.05 127.8 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.85 1.66 . . . . 0.0 110.404 -172.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -77.73 142.8 38.51 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.061 0.934 . . . . 0.0 111.713 170.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.2 mt -107.57 -11.65 15.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.453 1.901 . . . . 0.0 112.69 -178.604 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -66.15 -6.38 13.2 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.124 0.875 . . . . 0.0 113.036 167.246 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.5 p -146.52 154.19 48.39 Favored Pre-proline 0 CA--C 1.541 0.617 0 C-N-CA 127.545 2.338 . . . . 0.0 110.154 -174.132 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -66.53 155.55 69.68 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.761 2.974 . . . . 0.0 112.844 165.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.76 155.87 34.84 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.881 0.872 . . . . 0.0 111.929 168.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.17 161.75 29.38 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.285 1.434 . . . . 0.0 111.19 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.18 -40.46 61.53 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 -163.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -71.28 -12.86 61.67 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.944 -1.097 . . . . 0.0 113.177 -178.355 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -106.23 -31.11 8.8 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.833 2.453 . . . . 0.0 111.096 174.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.24 -45.03 93.48 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.526 1.13 . . . . 0.0 111.438 172.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.3 4.33 10.93 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.266 1.426 . . . . 0.0 114.345 -174.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.32 117.06 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.244 1.418 . . . . 0.0 110.932 -176.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -67.53 124.92 24.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.493 1.117 . . . . 0.0 111.037 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.17 124.4 28.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.754 1.621 . . . . 0.0 111.313 179.234 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.18 -22.59 66.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.058 1.743 . . . . 0.0 114.87 179.038 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.17 -170.64 37.02 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.339 0.971 . . . . 0.0 115.521 175.497 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.67 152.47 22.42 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.346 1.858 . . . . 0.0 113.04 173.041 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 22.0 ttp -74.23 62.73 0.96 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.465 2.706 . . . . 0.0 114.073 -171.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -60.82 -40.0 91.1 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.698 -1.251 . . . . 0.0 114.026 -173.354 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -153.46 146.57 24.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.453 0.701 . . . . 0.0 112.1 -176.064 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 m -138.6 146.02 41.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.921 1.288 . . . . 0.0 110.372 167.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -123.78 145.05 49.32 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.57 1.948 . . . . 0.0 111.707 179.078 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -137.4 145.1 42.81 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.719 1.608 . . . . 0.0 112.613 -172.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.409 ' HE1' HG12 ' A' ' 63' ' ' VAL . 15.5 m-85 -133.28 134.97 44.59 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.54 1.536 . . . . 0.0 110.593 -165.008 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -76.49 158.26 31.43 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.455 1.025 . . . . 0.0 111.822 176.865 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -46.72 112.93 0.57 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.468 1.507 . . . . 0.0 111.485 174.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.63 -8.37 61.82 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.307 1.432 . . . . 0.0 116.123 179.079 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -89.72 176.3 6.91 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.322 1.561 . . . . 0.0 112.839 -177.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.0 p -148.8 13.05 0.9 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 171.043 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -131.42 138.37 49.05 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.324 -1.485 . . . . 0.0 108.132 164.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 p -63.82 160.63 16.97 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -169.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 t -130.98 -22.82 2.54 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.37 1.468 . . . . 0.0 112.633 174.36 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -124.68 144.0 50.45 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.338 1.055 . . . . 0.0 108.692 176.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' B' ' 13' ' ' HIS . 2.1 m -149.02 153.63 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 125.611 1.564 . . . . 0.0 111.519 -172.747 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -142.71 134.02 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -109.16 151.11 26.9 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.197 0.999 . . . . 0.0 109.363 -175.014 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.81 -167.86 21.0 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.383 -0.823 . . . . 0.0 114.682 -177.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.6 144.4 89.75 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 122.353 2.035 . . . . 0.0 110.583 -177.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.0 -26.58 1.01 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.685 2.088 . . . . 0.0 113.45 170.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 60.27 -22.55 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 129.971 3.309 . . . . 0.0 116.76 -174.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.1 t -165.64 152.03 9.73 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.714 1.606 . . . . 0.0 109.49 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -75.58 -27.37 58.53 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.834 -0.542 . . . . 0.0 112.39 165.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 CA--C 1.553 1.096 0 C-N-CA 126.605 1.962 . . . . 0.0 114.159 -166.813 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.496 0 CA-C-O 121.71 0.617 . . . . 0.0 114.162 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.48 ' CD2' HG23 ' A' ' 109' ' ' VAL . 34.9 p-80 . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 121.944 0.878 . . . . 0.0 110.529 169.545 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 t0 . . . . . 0 N--CA 1.472 0.675 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -136.99 -21.37 1.22 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.941 1.296 . . . . 0.0 112.464 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -80.57 -49.35 11.42 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 125.229 1.412 . . . . 0.0 111.965 -179.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.42 -13.6 61.1 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -176.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -45.39 147.8 0.75 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 -168.285 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.622 HD23 HG11 ' A' ' 63' ' ' VAL . 45.7 tp -93.93 129.05 40.52 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 164.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -99.39 102.89 14.62 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.959 2.103 . . . . 0.0 111.268 176.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 CA--C 1.552 1.033 0 C-N-CA 128.304 2.641 . . . . 0.0 113.643 177.98 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 121.673 0.749 . . . . 0.0 111.298 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -34.48 70.4 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.266 0.627 . . . . 0.0 112.336 -176.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.89 -35.64 40.26 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-O 118.83 -0.983 . . . . 0.0 115.418 175.395 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -84.75 -31.12 24.16 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.863 1.331 . . . . 0.0 112.786 175.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.9 tp -70.62 -42.17 71.27 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.259 0.623 . . . . 0.0 111.929 176.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.42 -41.23 79.99 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.331 1.452 . . . . 0.0 112.293 176.163 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -60.88 -35.96 77.97 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.012 0.925 . . . . 0.0 111.496 175.573 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -50.18 29.67 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 123.077 0.551 . . . . 0.0 111.628 172.119 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.62 -37.57 86.83 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.556 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -67.97 -27.76 66.86 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.146 -0.971 . . . . 0.0 112.202 174.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -75.97 -38.42 57.52 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 167.043 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -59.18 -36.88 76.11 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.388 -0.82 . . . . 0.0 112.108 175.341 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.1 mt -55.87 -39.47 71.56 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 171.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -71.82 -45.98 59.67 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.466 1.03 . . . . 0.0 112.126 178.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -63.17 -23.46 67.45 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.177 1.391 . . . . 0.0 114.634 171.042 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' HA3' ' HA3' ' B' ' 12' ' ' GLY . . . -116.62 -13.68 7.89 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 115.71 1.044 . . . . 0.0 115.71 -160.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.4 p -130.08 164.14 25.03 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.999 1.4 . . . . 0.0 112.647 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -65.58 -43.38 89.91 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.999 -0.438 . . . . 0.0 111.105 167.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -155.13 105.79 2.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.946 1.298 . . . . 0.0 112.99 -171.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 t -61.9 -24.63 67.07 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 176.196 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.11 -5.32 17.17 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -167.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -85.49 -19.34 31.37 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.799 -1.188 . . . . 0.0 113.562 174.043 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 94.2 m-85 -84.08 146.4 27.94 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.014 0.825 . . . . 0.0 112.185 -174.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -124.27 -24.19 4.36 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -153.3 172.75 16.55 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 167.202 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -145.43 161.02 40.69 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 127.118 2.167 . . . . 0.0 112.015 177.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.675 HG11 HD23 ' B' ' 20' ' ' LEU . 12.2 p -141.53 121.51 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 124.914 1.286 . . . . 0.0 111.449 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.69 133.65 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.3 1.44 . . . . 0.0 109.063 -178.081 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.12 122.14 42.33 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.846 1.258 . . . . 0.0 109.994 173.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.0 p -111.41 174.45 5.86 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.057 0.943 . . . . 0.0 112.789 -172.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -52.41 166.07 0.21 Allowed 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.252 -0.905 . . . . 0.0 110.614 160.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.81 36.29 26.12 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.518 1.127 . . . . 0.0 113.078 178.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt 60.87 20.21 10.46 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.824 2.049 . . . . 0.0 114.374 171.676 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.02 142.67 45.28 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 121.552 -0.717 . . . . 0.0 112.861 175.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -145.55 126.96 14.95 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.663 2.385 . . . . 0.0 107.284 -178.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -144.03 111.99 6.23 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.748 0.819 . . . . 0.0 111.477 -172.077 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 t -92.85 139.84 30.13 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.787 0.721 . . . . 0.0 111.482 175.381 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.2 t -145.88 134.26 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.152 1.781 . . . . 0.0 109.668 -177.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -85.82 148.12 25.98 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.82 1.295 . . . . 0.0 111.665 178.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.2 mt -109.54 -4.12 16.47 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.331 1.853 . . . . 0.0 113.16 -174.568 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -65.65 -28.5 69.14 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.365 0.666 . . . . 0.0 112.432 170.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.3 p -146.01 151.47 45.21 Favored Pre-proline 0 N--CA 1.472 0.637 0 C-N-CA 125.488 1.515 . . . . 0.0 109.988 -179.808 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.67 134.03 60.35 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.524 2.816 . . . . 0.0 112.491 168.21 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -63.67 153.47 36.03 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -164.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.96 156.28 31.73 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.404 1.481 . . . . 0.0 114.811 -177.002 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -56.9 -36.3 69.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -174.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -37.71 78.8 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.56 1.073 . . . . 0.0 110.819 176.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -73.98 -31.12 62.84 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.644 1.178 . . . . 0.0 111.913 176.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -59.71 -22.17 61.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.181 -0.95 . . . . 0.0 112.883 168.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -124.12 17.73 9.19 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.632 1.573 . . . . 0.0 112.925 -171.007 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.05 136.79 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-N 119.061 0.846 . . . . 0.0 109.078 169.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -86.63 150.76 23.98 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.621 0.724 . . . . 0.0 111.964 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.4 mt -94.73 122.55 37.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.437 1.495 . . . . 0.0 110.744 -173.147 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -60.79 -23.77 65.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.101 1.36 . . . . 0.0 113.846 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.51 -172.75 37.18 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.569 1.08 . . . . 0.0 113.667 175.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -67.74 155.62 38.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.127 1.371 . . . . 0.0 113.628 177.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.8 ttp -74.37 67.94 1.48 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 127.162 2.185 . . . . 0.0 114.296 -171.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.29 -41.63 80.14 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.675 -1.265 . . . . 0.0 113.947 178.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -157.89 157.98 34.2 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.2 m -141.07 146.7 37.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.415 1.486 . . . . 0.0 110.542 169.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.55 146.03 49.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.255 1.822 . . . . 0.0 111.256 179.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -133.69 151.32 51.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.771 1.228 . . . . 0.0 112.901 -171.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -136.68 129.1 30.14 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.026 0.93 . . . . 0.0 110.974 -166.021 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -73.39 165.1 25.69 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 179.056 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -60.26 54.48 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 129.067 2.947 . . . . 0.0 116.663 178.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 151.17 24.52 0.05 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.237 1.875 . . . . 0.0 113.564 -177.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -141.45 154.26 45.47 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.317 1.559 . . . . 0.0 111.821 -171.171 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.9 m -142.92 12.93 1.86 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -173.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -125.92 131.16 52.37 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 159.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.8 t -63.09 155.5 27.69 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -172.513 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.0 m -131.14 0.99 4.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.275 1.83 . . . . 0.0 112.732 168.207 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -143.76 132.79 22.87 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.917 1.287 . . . . 0.0 109.642 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 ' NE2' ' B' ' 13' ' ' HIS . 1.7 m -146.85 162.11 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 125.432 1.493 . . . . 0.0 111.734 -168.728 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 36.3 mt -143.88 130.44 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 126.053 1.741 . . . . 0.0 106.332 -172.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -111.45 153.36 26.24 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.502 0.592 . . . . 0.0 109.479 177.315 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.04 -167.48 18.23 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 114.154 0.422 . . . . 0.0 114.154 -176.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.79 136.35 25.23 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.953 2.435 . . . . 0.0 111.554 -176.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.27 -17.14 0.21 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 126.545 2.021 . . . . 0.0 114.684 174.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 63.95 -29.7 0.1 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.061 2.544 . . . . 0.0 116.362 -178.073 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -168.15 156.84 9.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.884 1.674 . . . . 0.0 109.778 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -76.55 -30.25 57.02 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.32 -0.863 . . . . 0.0 112.873 165.052 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 125.56 1.544 . . . . 0.0 112.455 -164.237 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . 0.413 ' HA3' ' HA3' ' A' ' 52' ' ' GLY . . . . . . . . 0 N--CA 1.436 -1.332 0 CA-C-O 120.029 -0.317 . . . . 0.0 113.088 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.476 ' NE2' HG23 ' A' ' 109' ' ' VAL . 49.3 p-80 . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 122.451 1.119 . . . . 0.0 112.582 170.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.25 21.66 1.89 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.231 1.012 . . . . 0.0 112.456 174.432 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -167.55 -18.13 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 117.466 2.395 . . . . 0.0 117.466 -164.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -105.67 -20.44 13.46 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.965 1.306 . . . . 0.0 113.037 -178.006 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.2 t -36.09 145.93 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 -174.518 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.675 HD23 HG11 ' A' ' 63' ' ' VAL . 61.3 tp -92.02 120.68 32.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 162.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -78.64 132.85 37.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.971 1.709 . . . . 0.0 110.007 163.251 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 CA--C 1.544 0.742 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 -164.502 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.7 p . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 121.093 0.473 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.73 -30.12 70.56 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.306 -0.871 . . . . 0.0 113.293 -177.724 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.89 -26.94 55.8 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 120.131 1.332 . . . . 0.0 114.704 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -99.2 -32.23 11.33 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.367 1.467 . . . . 0.0 113.041 176.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -71.96 -44.13 64.06 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.807 0.73 . . . . 0.0 112.588 174.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -62.07 -37.65 85.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.339 1.456 . . . . 0.0 111.69 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -56.91 -45.39 82.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.046 1.338 . . . . 0.0 111.176 170.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -69.61 -46.55 65.99 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.853 0.861 . . . . 0.0 112.172 176.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.6 mt -64.94 -32.3 73.95 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.558 1.143 . . . . 0.0 113.279 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -61.86 -40.26 94.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.676 0.79 . . . . 0.0 110.85 167.273 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.74 -35.43 77.11 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.878 -1.058 . . . . 0.0 113.333 172.482 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -55.44 -38.49 69.1 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 120.52 1.509 . . . . 0.0 113.706 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.74 -46.95 73.81 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 118.3 -0.857 . . . . 0.0 112.5 174.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.23 -49.47 77.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.649 1.113 . . . . 0.0 111.385 177.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -64.41 -10.12 22.81 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 127.949 2.5 . . . . 0.0 114.982 175.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -128.53 -41.04 0.28 Allowed Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.367 0.907 . . . . 0.0 115.367 -163.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.452 HG22 ' CE1' ' A' ' 108' ' ' TYR . 32.2 p -97.61 173.25 7.23 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.464 1.905 . . . . 0.0 112.638 -175.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -75.56 -34.46 60.71 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.931 0.892 . . . . 0.0 112.229 165.205 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -151.73 109.96 3.74 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 175.529 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -62.18 -28.43 69.66 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.092 1.357 . . . . 0.0 113.437 171.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.49 -8.88 54.5 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -166.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -84.56 -11.49 55.95 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.81 1.186 . . . . 0.0 112.558 171.14 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.7 m-85 -84.27 154.16 23.14 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.345 1.058 . . . . 0.0 113.03 -179.288 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -140.39 -38.34 0.45 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.79 0.836 . . . . 0.0 112.615 -166.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -149.87 174.89 12.16 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.941 0.896 . . . . 0.0 112.962 175.115 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -155.34 161.25 41.11 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 125.978 1.711 . . . . 0.0 112.807 -176.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.27 135.96 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.55 1.54 . . . . 0.0 109.977 177.578 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.4 mt -123.38 131.52 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.729 1.612 . . . . 0.0 108.454 -164.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 mt -122.47 135.0 54.57 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.533 1.133 . . . . 0.0 110.045 -179.215 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.5 p -127.31 174.01 9.31 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -167.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HB2' ' HA3' ' A' ' 91' ' ' GLY . 14.9 mt-10 -50.35 159.7 0.45 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.183 0.516 . . . . 0.0 109.927 160.122 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 61.99 35.54 16.04 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 171.03 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt 62.29 18.55 10.3 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 128.423 2.689 . . . . 0.0 115.204 173.056 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.49 142.34 46.88 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.655 -0.653 . . . . 0.0 113.21 174.156 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -145.92 129.46 16.97 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 128.694 2.798 . . . . 0.0 106.279 174.638 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -142.35 128.45 19.7 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.101 0.961 . . . . 0.0 110.693 -177.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.5 t -101.92 143.19 32.1 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 118.979 0.809 . . . . 0.0 111.799 174.535 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.5 t -143.97 123.06 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.643 1.577 . . . . 0.0 110.82 -179.206 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -77.18 122.43 25.02 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.338 -0.851 . . . . 0.0 110.133 164.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.0 mt -79.77 -26.87 40.52 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.482 1.513 . . . . 0.0 112.461 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -74.01 18.76 0.13 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.863 1.665 . . . . 0.0 115.044 -169.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.8 p -145.04 157.01 54.77 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 127.07 2.148 . . . . 0.0 109.911 175.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.91 153.01 33.29 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.674 2.916 . . . . 0.0 113.592 167.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.5 tp -56.38 148.06 19.9 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.661 1.984 . . . . 0.0 113.275 178.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.64 140.24 46.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.566 1.146 . . . . 0.0 111.358 175.097 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -65.09 -4.99 5.49 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -178.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -58.45 -50.57 73.24 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.735 -1.228 . . . . 0.0 110.518 163.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -67.96 -32.26 72.56 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.285 1.434 . . . . 0.0 111.689 -179.07 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -61.29 -18.1 56.88 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 176.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -125.91 -14.75 6.07 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -169.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.41 134.99 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 119.146 0.885 . . . . 0.0 111.118 174.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.21 125.04 35.34 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.545 0.738 . . . . 0.0 109.949 174.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.82 129.49 40.29 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.504 -0.747 . . . . 0.0 110.766 173.189 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.58 -27.26 48.27 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.312 1.045 . . . . 0.0 113.491 175.081 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.415 ' HA3' ' HB2' ' A' ' 67' ' ' GLU . . . -172.42 -176.23 41.02 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 126.116 1.817 . . . . 0.0 113.696 -178.363 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -69.02 153.55 43.6 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.207 1.403 . . . . 0.0 114.772 -179.243 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.5 ttp -69.8 65.97 0.23 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.113 2.565 . . . . 0.0 115.013 -175.088 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.18 -39.24 85.82 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.383 -1.448 . . . . 0.0 114.47 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -147.19 151.12 36.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.203 1.401 . . . . 0.0 111.971 -178.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.8 m -138.11 151.0 47.37 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.113 1.365 . . . . 0.0 110.044 161.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -130.97 145.2 51.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.821 1.648 . . . . 0.0 110.424 175.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -138.46 145.16 40.53 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.785 1.634 . . . . 0.0 112.302 -164.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -132.44 132.02 42.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.344 1.058 . . . . 0.0 110.269 -164.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 47.0 mttt -69.27 169.4 12.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.908 0.883 . . . . 0.0 112.386 173.23 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -59.04 43.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.213 3.005 . . . . 0.0 117.077 175.321 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.79 41.87 0.02 OUTLIER Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.286 -1.286 . . . . 0.0 114.416 -176.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -138.1 159.61 41.59 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -171.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.9 p -138.09 -1.43 1.96 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.081 2.552 . . . . 0.0 113.954 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -139.23 128.35 23.85 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.171 2.189 . . . . 0.0 108.169 166.061 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.5 p -58.59 157.05 9.68 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 -166.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.0 t -120.65 -17.46 8.02 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.444 1.498 . . . . 0.0 113.682 176.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.452 ' CE1' HG22 ' A' ' 53' ' ' THR . 25.7 t80 -127.1 153.52 45.9 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.409 1.083 . . . . 0.0 108.77 170.398 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.476 HG13 ' CD2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -159.09 147.57 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 C-N-CA 125.323 1.449 . . . . 0.0 110.569 -171.505 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.3 mt -141.39 124.16 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -167.151 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -84.5 153.62 23.2 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.251 1.02 . . . . 0.0 110.115 176.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.45 -173.28 31.96 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-O 119.625 -0.542 . . . . 0.0 113.886 174.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.02 140.1 34.05 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.106 2.537 . . . . 0.0 110.535 -177.343 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 150.16 -21.23 1.1 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 126.794 2.14 . . . . 0.0 113.929 176.129 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 59.91 -34.75 0.07 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 128.763 2.825 . . . . 0.0 118.161 175.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.2 t -160.12 146.67 15.87 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 120.871 1.669 . . . . 0.0 109.287 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -76.27 -18.82 58.8 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.662 -0.649 . . . . 0.0 112.552 172.278 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 126.355 1.862 . . . . 0.0 114.062 -161.953 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.593 0 N-CA-C 115.232 0.853 . . . . 0.0 115.232 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.476 ' CD2' HG13 ' A' ' 109' ' ' VAL . 45.0 p-80 . . . . . 0 N--CA 1.467 0.398 0 O-C-N 121.124 -1.221 . . . . 0.0 113.248 175.457 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t70 . . . . . 0 CA--C 1.547 0.832 0 CA-C-O 121.081 0.467 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -136.76 -4.56 1.99 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.127 2.171 . . . . 0.0 113.451 -178.644 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -31.59 0.54 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -179.278 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.39 81.67 5.63 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.053 0.93 . . . . 0.0 109.257 162.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -138.77 154.54 48.52 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.437 1.095 . . . . 0.0 111.799 -177.094 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.36 113.59 27.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 105.378 -2.082 . . . . 0.0 105.378 172.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -86.62 134.49 33.62 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 125.366 1.466 . . . . 0.0 111.283 169.299 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -166.525 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 121.414 0.626 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.64 -25.92 68.37 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 176.56 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.54 -34.62 43.18 Favored Glycine 0 N--CA 1.472 1.092 0 CA-C-N 120.378 1.445 . . . . 0.0 115.357 172.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -87.92 -43.81 11.51 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.033 0.917 . . . . 0.0 112.01 175.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.95 -49.38 58.48 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.03 -41.74 99.61 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.913 0.779 . . . . 0.0 110.381 -177.41 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -58.73 -37.15 75.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.965 0.906 . . . . 0.0 112.655 173.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 mtm105 -67.67 -56.17 10.38 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.203 169.555 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.52 -37.62 78.82 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.59 1.541 . . . . 0.0 113.351 -174.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.0 ttm-85 -64.91 -33.03 75.06 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.086 2.154 . . . . 0.0 112.359 175.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -75.88 -40.63 54.15 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.138 0.975 . . . . 0.0 113.221 164.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -59.15 -39.62 83.02 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 124.295 1.038 . . . . 0.0 112.774 -172.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -41.59 84.76 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -70.71 -46.38 63.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.232 1.013 . . . . 0.0 112.335 177.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -69.83 -16.78 63.33 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 173.497 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.03 -22.13 7.73 Favored Glycine 0 CA--C 1.535 1.329 0 CA-C-O 119.113 -0.826 . . . . 0.0 114.248 -168.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.8 p -116.94 167.45 11.12 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.941 1.371 . . . . 0.0 112.996 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mtmm -79.49 -28.63 41.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.276 1.03 . . . . 0.0 112.908 175.225 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -148.39 115.44 6.11 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.51 1.524 . . . . 0.0 111.239 166.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 t -82.65 -20.1 36.93 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 178.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.87 -13.47 59.67 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.018 -1.676 . . . . 0.0 115.308 -175.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -75.02 -24.91 58.43 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.159 -0.963 . . . . 0.0 112.782 175.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -83.22 140.15 32.7 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.127 0.971 . . . . 0.0 111.323 -177.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -122.66 -22.07 5.48 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.023 0.929 . . . . 0.0 112.522 -175.177 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -148.96 169.25 21.01 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.412 0.894 . . . . 0.0 113.412 171.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -141.75 154.83 45.53 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 126.57 1.948 . . . . 0.0 111.274 178.36 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.732 HG11 HD23 ' B' ' 20' ' ' LEU . 10.5 p -138.71 135.42 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.201 1.401 . . . . 0.0 109.893 178.243 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.9 mt -120.22 128.55 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 125.294 1.438 . . . . 0.0 107.467 -168.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.2 mt -113.59 123.86 50.98 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.8 1.24 . . . . 0.0 109.362 177.153 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 p -116.64 167.35 11.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.371 0.668 . . . . 0.0 111.466 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -54.01 164.42 0.62 Allowed 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.708 -0.62 . . . . 0.0 111.925 163.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.29 34.2 18.69 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 176.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 70.15 11.21 7.55 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.797 2.439 . . . . 0.0 114.985 172.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.95 137.1 43.71 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-N 119.295 0.952 . . . . 0.0 113.293 -179.345 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -144.31 110.25 5.37 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.975 2.11 . . . . 0.0 108.743 -179.318 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -127.33 117.36 22.08 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.25 -0.906 . . . . 0.0 109.304 -172.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -122.6 131.91 54.04 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.672 0.789 . . . . 0.0 112.921 -172.515 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.5 t -143.07 122.11 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.672 1.189 . . . . 0.0 110.841 -160.14 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -78.09 130.11 36.02 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 122.147 0.975 . . . . 0.0 110.453 168.351 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.5 mt -77.27 -0.36 25.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.191 1.797 . . . . 0.0 112.613 178.389 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -68.07 -10.29 52.77 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.009 1.724 . . . . 0.0 114.389 176.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.5 p -142.8 144.02 27.99 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 119.523 1.056 . . . . 0.0 111.355 -177.529 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.25 157.64 25.16 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.936 3.091 . . . . 0.0 114.314 171.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.95 155.28 13.65 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.445 1.498 . . . . 0.0 112.598 171.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.15 158.34 43.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.727 1.611 . . . . 0.0 112.142 -175.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -57.06 -33.35 67.17 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -165.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -66.58 -44.94 80.83 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 120.971 -1.08 . . . . 0.0 111.002 176.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -68.5 -22.95 64.5 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.339 1.456 . . . . 0.0 112.23 176.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -68.98 -24.7 64.27 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 171.058 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -124.86 -6.95 7.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -167.164 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.15 139.6 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.49 1.116 . . . . 0.0 111.593 170.481 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.42 151.96 22.22 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.314 1.046 . . . . 0.0 111.584 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.3 mt -90.09 145.07 25.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.51 1.124 . . . . 0.0 112.412 -178.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.6 mt -70.13 -32.1 69.94 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.282 1.033 . . . . 0.0 113.716 174.369 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.93 -175.3 41.48 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 123.865 0.745 . . . . 0.0 114.045 -175.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -63.69 147.36 51.82 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.844 1.257 . . . . 0.0 113.372 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttt -67.03 65.42 0.06 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 129.107 2.963 . . . . 0.0 113.885 -176.419 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -55.3 -47.97 74.79 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.914 -1.116 . . . . 0.0 112.672 -175.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -158.57 160.09 36.23 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 176.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.1 m -132.91 142.16 48.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.563 1.145 . . . . 0.0 109.409 167.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -125.51 149.98 47.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.283 1.833 . . . . 0.0 110.562 179.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -134.72 151.73 51.22 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.236 1.014 . . . . 0.0 112.506 -172.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.507 ' HE1' HG12 ' A' ' 63' ' ' VAL . 37.6 m-85 -134.66 131.33 37.61 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.392 -0.817 . . . . 0.0 110.715 -168.746 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -75.09 163.39 27.63 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.488 0.715 . . . . 0.0 111.895 178.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . 0.254 53.6 pttt -65.95 64.34 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.507 1.923 . . . . 0.0 114.603 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.62 32.71 0.05 OUTLIER Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.489 1.995 . . . . 0.0 114.213 178.457 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -132.66 160.43 36.73 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.082 1.441 . . . . 0.0 112.822 -163.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 99.0 p -142.83 10.55 1.79 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 174.028 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -141.66 129.86 22.21 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.921 -1.112 . . . . 0.0 108.828 163.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.4 t -62.41 154.27 28.77 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -172.268 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.7 m -131.43 -0.16 4.02 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.49 1.916 . . . . 0.0 113.799 172.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -139.23 137.48 35.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.308 1.443 . . . . 0.0 110.161 176.31 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.432 HG23 ' CD2' ' B' ' 13' ' ' HIS . 2.5 m -149.58 160.61 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 125.484 1.513 . . . . 0.0 112.837 -164.279 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.8 mt -144.09 121.3 5.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 -177.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -100.6 145.04 28.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.706 1.202 . . . . 0.0 110.267 -172.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.87 -174.26 27.34 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 114.764 0.666 . . . . 0.0 114.764 -175.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -64.11 138.24 60.9 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.821 2.347 . . . . 0.0 111.691 -175.126 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.05 149.43 5.46 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 127.511 2.481 . . . . 0.0 110.989 173.192 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -135.51 -10.94 2.14 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.954 1.702 . . . . 0.0 113.838 -170.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -157.96 114.75 2.89 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 122.616 1.198 . . . . 0.0 113.955 164.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -69.79 5.79 1.39 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.79 1.236 . . . . 0.0 113.036 168.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 . . . . . 0 N--CA 1.473 0.725 0 C-N-CA 124.819 1.248 . . . . 0.0 114.019 -170.27 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.472 0 CA-C-O 119.368 -0.685 . . . . 0.0 113.826 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.432 ' CD2' HG23 ' A' ' 109' ' ' VAL . 54.2 p-80 . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 122.608 1.194 . . . . 0.0 111.623 160.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 120.694 0.283 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -139.64 6.43 2.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.088 1.355 . . . . 0.0 113.726 -179.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -25.05 11.99 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.313 0.961 . . . . 0.0 112.524 163.547 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -101.17 93.7 5.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.753 1.621 . . . . 0.0 108.573 166.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.4 t -138.58 174.38 10.59 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.561 1.544 . . . . 0.0 110.926 179.255 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.732 HD23 HG11 ' A' ' 63' ' ' VAL . 48.7 tp -123.39 129.82 51.84 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.436 1.494 . . . . 0.0 107.974 161.852 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -98.14 90.91 5.03 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.825 2.85 . . . . 0.0 111.997 -175.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 CA--C 1.556 1.186 0 C-N-CA 128.442 2.697 . . . . 0.0 112.848 176.732 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.4 m -139.78 15.37 2.5 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -167.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.58 52.73 32.52 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.271 0.938 . . . . 0.0 113.299 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.2 mt -126.77 147.74 62.25 Favored Pre-proline 0 CA--C 1.542 0.642 0 C-N-CA 125.433 1.493 . . . . 0.0 111.244 -170.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -68.32 156.97 63.78 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 121.843 1.695 . . . . 0.0 110.188 163.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -132.77 -2.01 3.35 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.8 p -131.1 127.5 38.27 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 121.025 1.739 . . . . 0.0 111.383 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -42.69 82.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.103 0.961 . . . . 0.0 112.473 -173.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.75 -37.99 44.08 Favored Glycine 0 CA--C 1.534 1.231 0 N-CA-C 115.107 0.803 . . . . 0.0 115.107 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -69.17 -41.79 76.74 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.352 1.076 . . . . 0.0 112.313 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 tt -70.25 -40.2 74.55 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.276 1.03 . . . . 0.0 112.037 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -54.54 -46.23 73.57 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.429 1.492 . . . . 0.0 112.146 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.88 -40.76 96.53 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.479 0.311 . . . . 0.0 110.718 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.7 ttp85 -63.75 -44.1 94.51 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 118.976 -0.535 . . . . 0.0 111.832 174.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.4 mt -66.54 -41.02 89.36 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -71.72 -26.16 62.37 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.036 -1.04 . . . . 0.0 112.703 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -64.98 -46.89 79.58 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 118.809 -0.615 . . . . 0.0 112.038 161.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.418 ' HB3' ' CD1' ' A' ' 110' ' ' ILE . 6.0 m-85 -53.13 -31.92 44.81 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.668 1.587 . . . . 0.0 114.511 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mt -64.04 -52.47 59.24 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 120.047 1.294 . . . . 0.0 113.06 170.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -66.14 -40.98 91.03 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.904 0.774 . . . . 0.0 112.23 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -71.59 -17.49 62.29 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.774 2.029 . . . . 0.0 114.49 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -137.1 -6.78 1.63 Allowed Glycine 0 CA--C 1.534 1.221 0 N-CA-C 116.982 1.553 . . . . 0.0 116.982 -162.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.6 p -100.59 170.43 8.38 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 119.447 1.623 . . . . 0.0 110.737 163.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -82.1 -31.72 30.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.596 1.159 . . . . 0.0 110.528 161.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -148.85 121.34 8.51 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.25 1.42 . . . . 0.0 112.884 173.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.3 t -90.3 -22.43 21.57 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.699 1.199 . . . . 0.0 113.628 177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.52 -15.68 19.65 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -168.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -81.04 -17.86 48.72 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.28 1.832 . . . . 0.0 114.317 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 70.6 m-85 -80.51 156.97 26.28 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.106 0.963 . . . . 0.0 113.217 -172.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -136.24 -40.57 0.66 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.267 1.427 . . . . 0.0 112.307 -167.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' HE3' ' CD2' ' B' ' 22' ' ' LEU . 35.0 pttt -150.15 171.48 16.83 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.859 0.837 . . . . 0.0 113.197 174.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -141.02 154.28 45.92 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.952 1.701 . . . . 0.0 111.248 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.64 HG11 HD23 ' B' ' 20' ' ' LEU . 14.3 p -140.29 140.9 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.734 1.614 . . . . 0.0 109.358 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.4 mt -130.35 126.35 61.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.149 1.379 . . . . 0.0 108.027 -160.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.9 mt -117.42 127.06 53.66 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.308 1.043 . . . . 0.0 109.317 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.1 p -119.21 171.88 7.98 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.411 0.684 . . . . 0.0 112.019 -173.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -52.09 164.53 0.28 Allowed 'General case' 0 CA--C 1.55 0.946 0 O-C-N 121.736 -0.602 . . . . 0.0 110.462 160.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 59.62 30.8 20.44 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.658 1.183 . . . . 0.0 112.898 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 48.37 31.12 2.59 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 128.556 2.742 . . . . 0.0 115.171 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.33 141.78 47.39 Favored Glycine 0 CA--C 1.535 1.283 0 O-C-N 121.141 -0.974 . . . . 0.0 112.668 171.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -140.44 129.5 23.48 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 127.022 2.129 . . . . 0.0 107.629 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -143.64 143.83 31.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.441 1.497 . . . . 0.0 109.165 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 t -144.08 135.56 25.84 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.002 0.819 . . . . 0.0 112.655 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.0 t -143.0 116.36 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.952 1.301 . . . . 0.0 110.569 -168.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -67.64 118.16 10.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.269 0.627 . . . . 0.0 109.921 162.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.7 mt -69.52 -20.13 63.71 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.985 1.714 . . . . 0.0 112.285 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -65.79 -19.29 65.83 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.422 1.489 . . . . 0.0 114.591 -177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 72.4 p -142.2 138.9 17.13 Favored Pre-proline 0 N--CA 1.479 0.995 0 CA-C-N 119.802 1.183 . . . . 0.0 111.846 -170.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.26 130.6 36.8 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.416 2.744 . . . . 0.0 114.095 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -76.83 136.13 38.92 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.748 -0.595 . . . . 0.0 111.578 170.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.4 167.06 22.43 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -49.11 -42.58 39.65 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.721 1.209 . . . . 0.0 114.18 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -68.78 -20.54 64.35 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.263 -0.898 . . . . 0.0 112.609 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -89.37 -35.38 16.1 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.158 1.383 . . . . 0.0 111.336 171.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.8 -26.77 66.02 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.403 -0.811 . . . . 0.0 112.524 170.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -113.82 7.41 17.05 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.248 1.419 . . . . 0.0 113.09 -173.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.74 145.94 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.795 -1.191 . . . . 0.0 110.686 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.21 134.35 36.11 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -167.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.4 mt -82.06 128.79 34.47 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.804 1.242 . . . . 0.0 111.876 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.48 -30.46 61.84 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.715 1.606 . . . . 0.0 114.491 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.03 -179.53 40.63 Favored Glycine 0 CA--C 1.53 1.008 0 CA-C-N 119.083 0.856 . . . . 0.0 114.357 -174.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -68.38 154.19 42.27 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.498 1.119 . . . . 0.0 113.602 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 35.8 ttp -73.33 62.93 0.72 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.939 2.496 . . . . 0.0 114.598 -170.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -57.34 -46.38 83.35 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -147.45 150.27 34.29 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.056 0.943 . . . . 0.0 112.632 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.8 m -136.53 144.42 44.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.46 1.504 . . . . 0.0 109.836 166.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -129.44 147.31 51.24 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.403 1.881 . . . . 0.0 110.492 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -139.37 147.94 42.18 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.33 1.052 . . . . 0.0 112.754 -169.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.419 ' HE1' HG12 ' A' ' 63' ' ' VAL . 17.4 m-85 -135.25 136.97 42.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.857 1.263 . . . . 0.0 110.828 -167.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -74.02 165.55 24.94 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 173.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -54.89 67.56 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 129.725 3.21 . . . . 0.0 113.848 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 137.71 8.95 1.2 Allowed Glycine 0 CA--C 1.541 1.667 0 C-N-CA 125.925 1.726 . . . . 0.0 116.555 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -103.43 157.02 17.32 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 121.023 2.411 . . . . 0.0 114.5 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.1 m -137.92 24.41 2.82 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.548 1.539 . . . . 0.0 113.511 168.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -147.25 124.69 11.65 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.861 1.664 . . . . 0.0 108.131 160.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.2 p -62.33 156.78 21.42 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -167.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t -127.7 -5.13 5.81 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -131.78 142.15 49.67 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.981 1.312 . . . . 0.0 109.117 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.486 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.7 OUTLIER -152.43 154.68 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 126.161 1.784 . . . . 0.0 111.144 -169.417 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 48' ' ' TYR . 12.6 mt -147.14 130.45 8.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -104.22 167.57 9.67 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -175.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.56 -172.78 35.78 Favored Glycine 0 CA--C 1.526 0.769 0 O-C-N 121.543 -0.723 . . . . 0.0 114.174 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.02 133.53 29.25 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.488 2.125 . . . . 0.0 110.589 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 157.24 -25.07 0.47 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 126.214 1.864 . . . . 0.0 113.823 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.9 tttt 58.4 -24.65 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 129.121 2.968 . . . . 0.0 117.669 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.4 t -164.83 161.96 20.66 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.37 1.868 . . . . 0.0 109.118 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -78.97 -23.77 44.28 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.305 -0.872 . . . . 0.0 112.701 167.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -75.84 108.34 8.64 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.506 1.122 . . . . 0.0 112.603 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -14.27 95.05 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 127.685 2.394 . . . . 0.0 117.305 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.85 86.15 0.09 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.154 1.782 . . . . 0.0 112.74 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.253 1.249 0 C-N-CA 124.934 1.294 . . . . 0.0 112.283 -168.732 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -154.21 130.19 10.23 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 127.711 2.404 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -157.94 146.59 14.38 Favored Pre-proline 0 N--CA 1.478 0.951 0 O-C-N 121.524 -0.735 . . . . 0.0 112.383 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -51.63 143.9 35.36 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.564 2.843 . . . . 0.0 111.503 154.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . 0.27 21.0 m-20 47.44 -144.46 0.33 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.626 1.97 . . . . 0.0 113.886 165.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.409 ' HA2' HG12 ' A' ' 110' ' ' ILE . . . 78.61 138.5 1.41 Allowed Glycine 0 CA--C 1.534 1.273 0 CA-C-N 108.74 -3.845 . . . . 0.0 117.139 160.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.486 ' CD2' HG23 ' A' ' 109' ' ' VAL . 51.3 p-80 -154.71 154.36 32.75 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 123.023 1.392 . . . . 0.0 113.638 160.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -140.66 143.42 35.12 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 120.669 -1.269 . . . . 0.0 111.769 -171.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -129.58 19.42 5.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.186 0.994 . . . . 0.0 113.559 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -34.31 2.46 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.738 -1.226 . . . . 0.0 114.229 166.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -72.18 -10.83 60.31 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.195 0.998 . . . . 0.0 113.013 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -40.28 154.24 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 128.274 2.63 . . . . 0.0 116.999 -172.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.64 HD23 HG11 ' A' ' 63' ' ' VAL . 51.6 tp -101.7 132.87 47.17 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.584 1.183 . . . . 0.0 108.355 161.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -108.73 82.12 1.56 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 131.597 3.959 . . . . 0.0 111.679 -168.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.428 ' CD2' ' HE3' ' A' ' 61' ' ' LYS . 6.1 mp -63.45 16.69 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 127.942 2.497 . . . . 0.0 115.766 -176.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -137.1 -5.58 1.87 Allowed 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 116.288 1.958 . . . . 0.0 116.288 -166.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 9.5 t -157.73 148.44 16.16 Favored Pre-proline 0 N--CA 1.48 1.041 0 CA-C-N 119.794 1.179 . . . . 0.0 112.334 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -89.6 169.35 4.74 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 124.795 3.663 . . . . 0.0 113.151 169.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . 0.266 8.1 p 51.95 128.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 130.966 3.706 . . . . 0.0 117.895 170.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -122.83 -21.84 5.46 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.624 1.57 . . . . 0.0 113.487 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -79.85 148.54 31.3 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 122.289 1.043 . . . . 0.0 111.486 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 120.444 -1.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t -140.37 -14.95 0.98 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 172.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.93 -174.0 28.53 Favored Glycine 0 CA--C 1.535 1.312 0 CA-C-N 119.418 1.008 . . . . 0.0 115.585 168.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.5 mt -120.12 164.82 20.36 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 126.585 1.954 . . . . 0.0 111.503 -172.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -49.17 156.74 2.22 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 124.497 3.464 . . . . 0.0 116.809 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t -148.66 14.07 0.94 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.9 1.68 . . . . 0.0 113.83 175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 34.1 p -97.39 144.43 27.15 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.944 -1.098 . . . . 0.0 110.97 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.6 tp -66.85 -32.76 74.25 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.457 0.703 . . . . 0.0 112.528 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.95 -42.59 94.9 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 120.018 1.281 . . . . 0.0 114.397 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -65.98 -35.56 80.9 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.624 -0.927 . . . . 0.0 112.195 174.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tt -70.12 -41.06 74.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.424 1.089 . . . . 0.0 112.325 175.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.88 -41.93 88.27 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.272 1.429 . . . . 0.0 112.123 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -61.02 -41.92 97.46 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.886 -0.508 . . . . 0.0 110.483 172.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -64.34 -46.02 85.3 Favored 'General case' 0 C--O 1.221 -0.402 0 O-C-N 121.79 -0.569 . . . . 0.0 111.526 177.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 mt -65.36 -36.3 83.59 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.589 1.086 . . . . 0.0 113.136 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -66.12 -31.57 72.5 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.371 0.669 . . . . 0.0 111.614 171.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -67.34 -48.95 66.01 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.423 166.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -54.33 -34.38 60.9 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.09 -49.87 68.34 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.194 -0.941 . . . . 0.0 113.321 174.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -69.1 -43.33 74.71 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.301 0.501 . . . . 0.0 111.578 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -60.42 -28.34 68.19 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.481 1.912 . . . . 0.0 113.779 171.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.69 -14.15 4.39 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 117.682 1.833 . . . . 0.0 117.682 -160.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.1 p -119.13 160.48 22.01 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 118.746 1.273 . . . . 0.0 111.107 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -69.56 -40.02 77.04 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.072 0.549 . . . . 0.0 112.192 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -153.08 90.2 1.43 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.093 1.757 . . . . 0.0 110.998 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.3 p -60.0 -19.55 53.01 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.08 -22.33 64.51 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.061 1.875 . . . . 0.0 116.061 -175.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -74.29 -23.47 59.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.243 1.017 . . . . 0.0 112.898 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 94.3 m-85 -76.08 146.33 39.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.305 1.042 . . . . 0.0 111.055 177.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -128.34 -23.67 3.2 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -174.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -152.19 172.31 16.58 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.061 1.344 . . . . 0.0 112.554 168.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -138.92 157.44 46.03 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 126.71 2.004 . . . . 0.0 110.436 175.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.5 t -135.8 138.22 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.548 1.139 . . . . 0.0 108.827 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.9 mt -126.8 134.44 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.22 1.408 . . . . 0.0 108.162 -163.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.9 mt -122.28 134.86 54.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.455 1.502 . . . . 0.0 109.65 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.9 p -128.54 173.86 9.89 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.501 0.72 . . . . 0.0 112.51 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -54.04 169.9 0.15 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.71 0.767 . . . . 0.0 111.1 160.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 52.93 32.19 12.18 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.214 1.406 . . . . 0.0 113.069 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt 49.98 32.64 5.85 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.79 2.836 . . . . 0.0 115.466 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.21 147.49 49.14 Favored Glycine 0 CA--C 1.534 1.252 0 O-C-N 121.88 -0.513 . . . . 0.0 113.168 170.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -151.03 127.88 10.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.901 2.08 . . . . 0.0 109.156 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -143.17 121.82 12.55 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.552 0.741 . . . . 0.0 111.015 -173.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.9 t -94.75 136.62 34.85 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.018 0.826 . . . . 0.0 110.866 167.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.9 t -142.9 127.55 15.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.536 1.534 . . . . 0.0 109.851 -175.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -84.63 144.27 28.7 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.558 -0.714 . . . . 0.0 112.153 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.1 mt -107.72 -18.47 13.82 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -72.96 -0.35 13.47 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.524 1.057 . . . . 0.0 113.032 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.7 p -148.77 156.25 41.27 Favored Pre-proline 0 C--O 1.24 0.559 0 C-N-CA 126.015 1.726 . . . . 0.0 110.658 -164.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.11 148.92 83.29 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 122.805 2.337 . . . . 0.0 111.329 157.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -91.52 151.32 20.81 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.32 0.581 . . . . 0.0 111.602 170.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.67 148.31 49.34 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.562 0.745 . . . . 0.0 112.58 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -57.05 -34.45 68.26 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -174.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -60.21 -29.82 68.98 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.263 1.025 . . . . 0.0 112.046 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -90.15 -28.87 18.65 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 126.796 2.038 . . . . 0.0 111.203 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -61.8 -35.29 77.76 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.113 0.869 . . . . 0.0 111.53 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -105.16 2.04 28.88 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.49 140.98 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.731 1.151 . . . . 0.0 112.187 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -79.22 116.7 19.64 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.257 1.423 . . . . 0.0 110.757 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.48 135.63 57.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.547 1.139 . . . . 0.0 112.255 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.1 -26.7 68.33 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.903 0.881 . . . . 0.0 113.072 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.51 -172.37 36.8 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.347 1.451 . . . . 0.0 113.474 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -69.76 153.01 43.95 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.88 2.072 . . . . 0.0 113.05 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 40.3 ttp -70.03 64.56 0.23 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 127.488 2.315 . . . . 0.0 115.107 -171.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.24 -49.43 33.3 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -163.14 156.7 19.71 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-N 119.694 1.134 . . . . 0.0 112.196 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.6 m -138.35 151.03 47.16 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.076 1.35 . . . . 0.0 111.02 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -132.28 143.6 50.01 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.638 2.375 . . . . 0.0 110.201 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -135.88 141.19 44.57 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.91 0.884 . . . . 0.0 112.21 -170.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -132.11 131.58 42.47 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.462 1.105 . . . . 0.0 111.382 -163.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -81.72 166.63 19.91 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 177.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -36.92 101.71 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.114 2.166 . . . . 0.0 114.085 170.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.8 4.0 79.65 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.602 1.096 . . . . 0.0 115.543 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -86.4 161.65 18.55 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.953 1.377 . . . . 0.0 112.165 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.9 m -139.83 25.66 2.33 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.025 1.73 . . . . 0.0 112.676 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -144.63 140.85 28.96 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.696 1.598 . . . . 0.0 108.369 163.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.3 p -70.78 155.25 41.01 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 p -125.69 -8.83 6.76 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.908 1.283 . . . . 0.0 113.798 167.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -130.68 140.72 50.38 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.162 1.385 . . . . 0.0 108.758 173.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.464 HG23 ' NE2' ' B' ' 13' ' ' HIS . 2.5 m -149.77 154.95 8.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 125.861 1.664 . . . . 0.0 110.846 -171.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.6 mt -145.63 132.74 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -173.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -102.74 138.92 39.0 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 124.331 1.052 . . . . 0.0 109.743 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -149.41 -178.74 24.67 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 114.131 0.412 . . . . 0.0 114.131 -174.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.71 131.33 27.26 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.732 2.288 . . . . 0.0 112.621 -173.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.35 -30.05 0.18 Allowed Glycine 0 CA--C 1.539 1.533 0 N-CA-C 116.086 1.194 . . . . 0.0 116.086 173.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? 69.23 -32.74 0.23 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 127.093 2.157 . . . . 0.0 115.575 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -164.33 161.33 21.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.081 1.352 . . . . 0.0 110.867 172.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -76.21 -33.31 59.25 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.795 -0.566 . . . . 0.0 111.974 164.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -85.95 52.73 2.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.454 1.502 . . . . 0.0 112.523 -170.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 31.1 p90 50.37 148.75 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 131.04 3.736 . . . . 0.0 117.941 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -149.03 17.76 0.97 Allowed 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 116.772 2.138 . . . . 0.0 116.772 -167.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 34.6 t80 . . . . . 0 C--O 1.252 1.193 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 179.888 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.9 t -138.44 11.57 2.76 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.414 1.086 . . . . 0.0 113.84 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.17 160.04 31.05 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 124.784 1.234 . . . . 0.0 112.327 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.97 160.54 0.47 Allowed 'Trans proline' 0 CA--C 1.543 0.929 1 C-N-CA 125.529 4.153 . . . . 0.0 116.784 171.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.3 104.12 10.63 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.083 -1.011 . . . . 0.0 109.582 167.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.94 176.72 4.4 Favored Glycine 0 CA--C 1.535 1.313 1 CA-C-N 107.145 -4.571 . . . . 0.0 113.893 170.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.464 ' NE2' HG23 ' A' ' 109' ' ' VAL . 44.3 p-80 -155.4 149.0 25.18 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.097 -1.237 . . . . 0.0 111.94 173.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -161.25 171.21 18.79 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 120.614 -1.304 . . . . 0.0 112.335 -169.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -141.86 -26.12 0.67 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.844 2.058 . . . . 0.0 112.306 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -70.0 -25.37 63.57 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.17 0.896 . . . . 0.0 113.208 -171.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -114.65 8.14 16.18 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.513 1.925 . . . . 0.0 113.179 -174.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -55.28 150.34 11.36 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -172.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.3 tp -92.71 123.57 36.09 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 166.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -102.63 96.87 7.17 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.831 2.452 . . . . 0.0 111.637 -173.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -81.11 -1.81 45.85 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 128.464 2.706 . . . . 0.0 115.119 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.07 148.98 42.43 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 123.148 1.451 . . . . 0.0 113.616 -167.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.401 ' H ' ' HD3' ' B' ' 25' ' ' PRO . 11.0 t -158.44 28.33 0.03 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 -170.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.401 ' HD3' ' H ' ' B' ' 24' ' ' THR . 71.7 Cg_endo -70.76 153.45 64.33 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.858 2.372 . . . . 0.0 113.782 -178.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.8 p -159.34 10.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 173.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 55.27 -21.16 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 128.35 2.66 . . . . 0.0 117.94 -171.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -152.5 81.65 1.24 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.168 1.787 . . . . 0.0 111.116 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 120.885 -1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t -155.92 -45.71 0.08 Allowed 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.477 1.111 . . . . 0.0 111.732 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.44 -176.63 31.12 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 123.894 0.759 . . . . 0.0 113.961 -177.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.68 146.81 54.62 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 124.613 1.165 . . . . 0.0 110.877 176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -60.26 166.94 8.4 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 122.435 2.09 . . . . 0.0 111.155 158.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t -144.13 1.18 1.09 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -176.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 p -136.9 132.44 34.51 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.17 -33.28 70.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.059 0.943 . . . . 0.0 113.039 -177.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.71 -44.09 79.95 Favored Glycine 0 CA--C 1.536 1.351 0 O-C-N 120.966 -1.084 . . . . 0.0 114.06 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HA ' ' HE2' ' A' ' 40' ' ' LYS . 10.5 mmpt? -65.92 -37.42 86.01 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.353 1.076 . . . . 0.0 112.667 174.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.4 tp -66.72 -44.12 82.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 118.491 -0.766 . . . . 0.0 112.397 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -55.41 -43.46 75.31 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.161 1.346 . . . . 0.0 111.974 173.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -67.0 -22.76 65.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.572 1.549 . . . . 0.0 112.449 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -86.05 -48.07 8.99 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 120.752 -1.217 . . . . 0.0 112.796 165.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.15 -34.33 77.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 120.638 1.563 . . . . 0.0 113.629 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -64.17 -34.15 77.41 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.496 0.589 . . . . 0.0 111.447 169.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -71.33 -39.39 71.39 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.785 169.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.43 ' HA ' ' HE1' ' B' ' 11' ' ' TYS . 71.4 m-85 -60.44 -24.7 65.42 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.369 1.44 . . . . 0.0 114.507 170.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.1 mt -71.85 -51.45 22.34 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.797 1.18 . . . . 0.0 113.716 164.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -68.68 -40.7 79.96 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.297 0.953 . . . . 0.0 112.313 -174.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -75.99 -10.61 59.56 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.301 1.84 . . . . 0.0 113.742 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.16 -17.58 2.44 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 117.361 1.704 . . . . 0.0 117.361 -170.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.4 p -112.4 159.93 18.23 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.116 1.958 . . . . 0.0 112.563 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.425 ' H ' ' HO3' ' B' ' 14' ' ' TYS . 34.9 mtmm -67.67 -34.18 76.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.704 1.602 . . . . 0.0 112.576 176.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -163.34 97.29 0.89 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.844 2.458 . . . . 0.0 111.155 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.8 t -59.64 -23.87 63.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.237 1.415 . . . . 0.0 114.781 176.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -5.77 2.95 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -172.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -92.58 -6.12 50.19 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.767 -1.208 . . . . 0.0 113.403 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 78.6 m-85 -88.05 153.44 21.27 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.987 1.267 . . . . 0.0 113.031 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -134.94 -40.66 0.76 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.079 1.351 . . . . 0.0 112.465 -165.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -147.15 171.7 14.94 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 169.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -135.62 159.72 40.75 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 125.201 1.4 . . . . 0.0 112.076 172.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.0 t -138.99 135.09 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 126.284 1.834 . . . . 0.0 108.562 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 mt -127.9 133.11 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.674 1.59 . . . . 0.0 108.395 -165.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -117.78 113.14 21.37 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.631 1.172 . . . . 0.0 107.925 173.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.1 p -98.68 171.23 8.24 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.333 0.587 . . . . 0.0 111.476 -177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -58.47 165.27 2.19 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.451 -0.78 . . . . 0.0 110.67 160.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 54.11 39.85 31.07 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.212 1.405 . . . . 0.0 113.858 -175.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt 56.83 25.93 10.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.088 2.155 . . . . 0.0 114.999 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.1 143.72 40.01 Favored Glycine 0 CA--C 1.533 1.178 0 O-C-N 121.182 -0.949 . . . . 0.0 112.789 169.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -138.79 132.52 30.75 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 127.081 2.152 . . . . 0.0 107.015 170.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -145.46 144.38 30.57 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.814 0.846 . . . . 0.0 111.058 -177.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.8 t -135.02 143.6 46.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.361 1.065 . . . . 0.0 112.393 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.85 128.98 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.836 1.655 . . . . 0.0 110.135 -172.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -86.44 92.72 8.93 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.357 1.463 . . . . 0.0 112.247 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.02 -13.34 2.68 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.777 2.431 . . . . 0.0 115.215 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -59.55 -16.09 22.68 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 163.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.6 p -146.01 148.64 36.23 Favored Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 125.445 1.498 . . . . 0.0 110.885 -167.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -71.36 122.26 8.5 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 123.934 3.09 . . . . 0.0 111.024 171.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -63.81 136.56 57.52 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.581 -0.699 . . . . 0.0 111.82 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.15 158.82 15.95 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.894 0.878 . . . . 0.0 112.976 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -59.14 -33.27 70.69 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -170.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -71.86 -33.19 68.19 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.723 -1.236 . . . . 0.0 112.136 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -74.75 -28.23 60.67 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.327 1.051 . . . . 0.0 111.964 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -61.16 -26.32 67.62 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.842 -1.162 . . . . 0.0 112.3 166.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -118.02 20.38 13.28 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.378 1.471 . . . . 0.0 112.621 -171.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.1 p -86.35 142.3 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 CA-C-N 119.452 1.023 . . . . 0.0 111.225 176.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -68.59 133.16 48.09 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.982 1.713 . . . . 0.0 114.02 -168.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.3 122.02 34.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.226 1.411 . . . . 0.0 112.527 172.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 mt -72.11 -28.85 63.55 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.296 1.438 . . . . 0.0 114.826 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -175.05 -177.98 44.55 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-N 119.78 1.173 . . . . 0.0 114.551 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 147.06 12.02 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.853 2.061 . . . . 0.0 113.711 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.4 ttp -66.15 51.5 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 129.116 2.967 . . . . 0.0 115.011 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -50.34 -47.62 55.82 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.996 1.318 . . . . 0.0 113.921 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.48 140.52 26.29 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.947 0.794 . . . . 0.0 112.273 -177.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.8 m -136.65 145.08 44.41 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.908 0.883 . . . . 0.0 111.043 168.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -124.63 139.3 53.99 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 128.57 2.748 . . . . 0.0 109.834 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -131.81 139.83 48.99 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.291 1.436 . . . . 0.0 110.948 -172.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -129.87 126.47 38.06 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.72 1.208 . . . . 0.0 110.112 -163.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 37.0 mttt -67.79 164.77 18.83 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -63.45 61.18 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 129.632 3.173 . . . . 0.0 112.022 168.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 144.93 40.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.943 0 C-N-CA 125.903 1.716 . . . . 0.0 113.569 -176.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -153.17 146.09 24.49 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.049 1.339 . . . . 0.0 111.761 -167.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.7 m -142.44 38.48 1.54 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.13 1.372 . . . . 0.0 111.367 169.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.516 ' CE ' HG21 ' B' ' 19' ' ' THR . 72.8 tttt -152.71 119.49 5.72 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.204 2.202 . . . . 0.0 106.251 162.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.0 p -51.68 147.29 6.72 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -168.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 45.8 t -109.93 -15.26 14.11 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.276 0.63 . . . . 0.0 112.428 170.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -133.65 140.99 47.42 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 125.206 1.402 . . . . 0.0 109.635 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.418 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -151.44 154.93 7.58 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.719 0 C-N-CA 125.46 1.504 . . . . 0.0 111.861 -174.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.59 118.36 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -170.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -90.27 109.99 21.06 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 174.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -113.49 -167.96 16.69 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.865 0.745 . . . . 0.0 113.491 -171.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -64.65 122.7 10.65 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.82 2.346 . . . . 0.0 109.499 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 132.48 159.78 9.39 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 127.469 2.461 . . . . 0.0 109.883 -171.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -137.83 -15.39 1.36 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -165.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.8 t -169.08 155.78 6.81 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 126.269 1.828 . . . . 0.0 108.051 -175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -74.98 -23.82 58.34 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.085 -1.009 . . . . 0.0 111.72 167.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.47 106.95 18.79 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.412 1.085 . . . . 0.0 113.172 -171.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 42.2 p90 37.43 58.22 1.3 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 117.015 2.228 . . . . 0.0 117.015 160.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.16 21.52 0.07 Allowed 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 117.03 2.233 . . . . 0.0 117.03 -169.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 C--O 1.25 1.117 0 C-N-CA 125.844 1.658 . . . . 0.0 110.105 168.492 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.9 t -132.72 11.46 4.38 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 127.51 2.324 . . . . 0.0 112.977 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.605 ' H ' ' CD ' ' B' ' 9' ' ' PRO . 3.8 t -147.71 -18.14 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.676 0 N-CA-C 117.863 2.542 . . . . 0.0 117.863 171.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.605 ' CD ' ' H ' ' B' ' 8' ' ' THR . 58.0 Cg_endo -80.94 81.85 2.62 Favored 'Trans proline' 0 C--N 1.355 0.871 0 CA-C-N 123.56 2.307 . . . . 0.0 112.369 -171.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -142.43 72.22 1.37 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.736 2.014 . . . . 0.0 106.674 173.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . 0.43 ' HE1' ' HA ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.16 173.33 0.38 Allowed Glycine 0 CA--C 1.537 1.448 1 CA-C-N 106.647 -4.797 . . . . 0.0 117.698 161.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.418 ' NE2' HG13 ' A' ' 109' ' ' VAL . 44.2 p-80 -153.21 151.36 30.0 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.849 -1.383 . . . . 0.0 113.133 176.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . 0.425 ' HO3' ' H ' ' A' ' 54' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.1 -179.51 4.98 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -164.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -136.21 -18.47 1.53 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 169.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -147.34 -17.87 0.39 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 175.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.53 -21.79 66.78 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.516 HG21 ' CE ' ' A' ' 105' ' ' LYS . 8.9 t -37.05 155.72 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.287 2.635 . . . . 0.0 116.491 177.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 41.3 tp -98.33 117.49 32.86 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 160.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -77.83 134.83 37.91 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.665 0.745 . . . . 0.0 110.413 167.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -113.78 -9.76 13.09 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.662 2.385 . . . . 0.0 110.759 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.2 164.5 38.73 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 128.229 2.611 . . . . 0.0 108.291 169.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 6.6 t -50.59 137.46 23.82 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.435 1.894 . . . . 0.0 113.02 167.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -73.0 152.0 50.93 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.704 2.269 . . . . 0.0 112.114 -179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p 142.19 139.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 131.414 3.885 . . . . 0.0 110.384 172.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.54 -32.59 1.01 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.134 0.974 . . . . 0.0 112.454 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -144.73 110.66 5.42 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.864 1.266 . . . . 0.0 110.438 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 120.321 -1.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 118.556 -0.735 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.3 m -152.27 144.61 24.01 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.005 1.322 . . . . 0.0 111.424 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.97 -39.36 0.08 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.709 1.147 . . . . 0.0 113.635 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.8 mt -120.89 151.07 54.28 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 125.06 1.344 . . . . 0.0 111.53 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -71.73 166.37 29.69 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 123.457 2.771 . . . . 0.0 113.357 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 t -136.33 -4.75 2.09 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.959 2.104 . . . . 0.0 113.074 178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.0 p -129.9 156.31 44.61 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.348 1.059 . . . . 0.0 111.547 165.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 mt -57.84 -34.41 69.68 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.897 173.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.98 -41.38 45.19 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-N 119.592 1.087 . . . . 0.0 114.637 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -87.09 -35.87 18.45 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.419 1.087 . . . . 0.0 113.068 177.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.94 -41.85 99.62 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.748 0.704 . . . . 0.0 111.922 176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.1 -40.72 86.18 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 126.224 1.81 . . . . 0.0 113.254 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.8 -40.83 95.88 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -63.8 -47.89 79.07 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.212 174.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.41 -37.51 83.72 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.281 1.401 . . . . 0.0 114.221 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -66.19 -30.34 70.78 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.538 -0.726 . . . . 0.0 111.245 172.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -74.88 -34.98 62.31 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 117.847 -1.073 . . . . 0.0 112.998 169.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -58.49 -34.03 70.46 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.611 1.55 . . . . 0.0 113.127 171.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.56 -49.85 69.57 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.158 -0.964 . . . . 0.0 112.922 174.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -65.73 -43.45 88.99 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.546 0.612 . . . . 0.0 112.172 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -65.68 -19.16 65.8 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.526 1.13 . . . . 0.0 114.023 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -130.43 -9.44 2.94 Favored Glycine 0 CA--C 1.535 1.317 0 N-CA-C 117.584 1.794 . . . . 0.0 117.584 -161.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.3 p -128.11 151.8 48.76 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 120.339 2.07 . . . . 0.0 111.89 -178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -67.17 -30.71 70.75 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -158.17 91.5 1.11 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.825 1.65 . . . . 0.0 112.328 -173.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.6 p -54.75 -27.37 40.67 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.223 1.809 . . . . 0.0 115.118 175.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.6 -22.71 66.7 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -166.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -74.86 -18.99 60.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.676 1.19 . . . . 0.0 113.346 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -77.17 155.17 32.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.639 0.775 . . . . 0.0 112.327 -176.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -126.45 -48.05 1.56 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.15 1.38 . . . . 0.0 110.507 -166.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -151.53 178.02 9.73 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.906 1.283 . . . . 0.0 112.339 172.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -145.47 163.6 34.17 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 125.653 1.581 . . . . 0.0 111.904 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.664 HG11 HD23 ' B' ' 20' ' ' LEU . 11.5 p -145.18 137.14 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.231 1.412 . . . . 0.0 110.437 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.58 137.84 47.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 126.895 2.078 . . . . 0.0 108.817 -170.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 mt -121.97 128.69 51.77 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.584 1.554 . . . . 0.0 109.364 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.3 p -125.1 174.39 8.08 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -171.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -54.72 167.87 0.33 Allowed 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.588 -0.695 . . . . 0.0 110.064 160.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 56.24 33.84 22.9 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.298 1.039 . . . . 0.0 113.377 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt 48.2 30.6 2.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 128.075 2.55 . . . . 0.0 115.315 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.44 138.97 45.35 Favored Glycine 0 CA--C 1.535 1.322 0 O-C-N 121.312 -0.867 . . . . 0.0 112.82 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -138.31 126.07 22.34 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.66 2.384 . . . . 0.0 106.927 172.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -144.98 137.1 25.87 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.302 1.041 . . . . 0.0 110.115 -177.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.3 t -127.54 143.58 51.16 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 120.025 1.284 . . . . 0.0 112.498 173.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.7 t -144.16 144.86 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.274 1.829 . . . . 0.0 108.915 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -77.02 154.47 33.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.894 0.854 . . . . 0.0 113.111 177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.6 mt -105.89 -18.61 14.0 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.824 1.649 . . . . 0.0 112.35 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -58.34 -27.66 64.37 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.372 0.669 . . . . 0.0 112.497 170.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.6 p -145.23 159.57 48.61 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 126.822 2.049 . . . . 0.0 109.946 -169.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -76.91 147.56 27.2 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 124.099 3.2 . . . . 0.0 112.779 171.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.28 164.01 23.75 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -171.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.76 143.49 55.84 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.448 1.099 . . . . 0.0 113.891 177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -62.35 -22.93 66.49 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 120.89 -1.131 . . . . 0.0 113.961 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -66.94 -36.58 82.56 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 119.871 -1.768 . . . . 0.0 111.54 170.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -73.96 -13.87 60.95 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.697 1.199 . . . . 0.0 111.996 174.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -73.18 -13.83 61.24 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 163.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -110.59 -19.18 12.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.963 1.305 . . . . 0.0 113.755 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 p -64.73 132.44 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.686 0.795 . . . . 0.0 112.029 -172.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -68.92 125.56 27.02 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.702 0.801 . . . . 0.0 110.999 172.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.5 mt -64.87 127.61 32.29 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.552 -0.718 . . . . 0.0 111.048 169.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.67 -33.19 69.84 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.37 -174.73 39.28 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.498 1.046 . . . . 0.0 113.799 177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -63.88 148.82 48.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.422 1.089 . . . . 0.0 112.79 175.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 37.9 ttp -71.42 63.7 0.39 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 129.198 2.999 . . . . 0.0 115.058 -170.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -56.06 -39.75 72.51 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.843 -1.161 . . . . 0.0 114.028 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -144.1 158.64 43.59 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.407 1.083 . . . . 0.0 112.415 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.0 m -141.72 149.11 40.09 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.417 1.487 . . . . 0.0 110.072 163.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -131.48 150.22 52.23 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.111 1.764 . . . . 0.0 111.545 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -139.47 144.29 37.93 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.546 1.538 . . . . 0.0 112.12 -169.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -132.54 141.23 48.65 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.105 1.362 . . . . 0.0 111.879 -166.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 160.72 19.44 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -52.76 89.92 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.461 2.704 . . . . 0.0 113.769 178.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.74 -7.0 17.77 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 126.081 1.8 . . . . 0.0 115.266 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -104.28 162.29 13.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.178 1.791 . . . . 0.0 111.525 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.3 p -141.87 14.11 2.09 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.765 1.626 . . . . 0.0 114.314 -172.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -133.35 142.15 48.27 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.574 1.55 . . . . 0.0 107.434 165.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.7 p -64.2 162.37 14.68 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.261 1.029 . . . . 0.0 113.253 -170.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.2 t -132.89 -10.1 3.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.238 -1.346 . . . . 0.0 112.397 165.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -137.15 140.09 41.61 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.177 1.391 . . . . 0.0 109.125 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.401 HG13 ' CD2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -156.02 153.37 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.691 1.596 . . . . 0.0 111.283 -169.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.1 mt -142.33 133.09 24.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -167.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -95.59 142.89 27.38 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 124.132 0.973 . . . . 0.0 110.922 175.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.53 -169.81 14.57 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 123.27 0.462 . . . . 0.0 113.696 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -66.4 145.25 76.71 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.793 2.328 . . . . 0.0 109.945 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.32 -24.9 2.19 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.883 1.706 . . . . 0.0 113.57 169.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt 60.54 -18.39 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.872 2.869 . . . . 0.0 117.175 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.3 t -171.83 157.58 4.59 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.862 1.665 . . . . 0.0 110.1 -178.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -78.93 -20.35 49.53 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 121.325 -0.859 . . . . 0.0 112.419 165.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -71.96 68.42 0.67 Allowed 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.714 2.006 . . . . 0.0 114.793 -170.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 55.12 29.5 12.68 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 118.287 2.699 . . . . 0.0 118.287 160.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 40.83 40.4 0.98 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.314 2.246 . . . . 0.0 115.757 173.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 56.6 t80 . . . . . 0 C--O 1.252 1.185 0 C-N-CA 128.007 2.523 . . . . 0.0 110.009 -173.558 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.1 t -76.71 19.22 0.29 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 22.9 m -139.56 138.28 20.01 Favored Pre-proline 0 N--CA 1.479 0.997 0 C-N-CA 125.792 1.637 . . . . 0.0 109.567 172.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -56.19 159.98 11.61 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.495 2.13 . . . . 0.0 112.82 172.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.46 129.74 42.63 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.372 -0.83 . . . . 0.0 110.348 168.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.21 177.46 6.31 Favored Glycine 0 CA--C 1.533 1.16 1 CA-C-N 108.172 -4.104 . . . . 0.0 114.807 167.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.401 ' CD2' HG13 ' A' ' 109' ' ' VAL . 47.6 p-80 -148.89 143.06 25.99 Favored 'General case' 0 CA--C 1.513 -0.447 0 O-C-N 121.219 -1.165 . . . . 0.0 111.787 171.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.17 159.44 23.29 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 125.069 1.347 . . . . 0.0 113.197 -174.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -142.01 31.24 1.59 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.107 1.763 . . . . 0.0 111.321 164.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -163.73 -27.2 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 125.164 1.385 . . . . 0.0 114.599 -167.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -95.84 -17.87 20.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 127.182 2.193 . . . . 0.0 112.052 -166.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -49.0 153.05 0.94 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 129.989 3.316 . . . . 0.0 118.767 -165.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.664 HD23 HG11 ' A' ' 63' ' ' VAL . 37.9 tp -99.61 134.41 42.53 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 125.107 1.363 . . . . 0.0 108.042 160.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -111.04 95.5 5.58 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 127.225 2.21 . . . . 0.0 111.052 -174.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.5 mp -74.14 -31.59 62.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.484 1.514 . . . . 0.0 111.696 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 15.4 m120 10.76 91.95 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 130.528 3.531 . . . . 0.0 115.577 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.517 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 9.0 t -146.33 -2.69 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.158 0 N-CA-C 117.343 2.349 . . . . 0.0 117.343 -160.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.517 ' CD ' ' H ' ' B' ' 24' ' ' THR . 74.1 Cg_endo -67.06 147.63 80.03 Favored 'Trans proline' 0 C--N 1.358 1.033 0 CA-C-N 123.965 2.452 . . . . 0.0 112.088 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 p -151.63 161.96 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.252 1.021 . . . . 0.0 111.089 -172.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -110.1 -28.33 8.73 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.084 0.954 . . . . 0.0 112.017 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -151.89 102.11 2.8 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.461 1.504 . . . . 0.0 109.312 168.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 120.252 -1.53 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.3 t -152.99 -73.68 0.14 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.289 1.036 . . . . 0.0 111.119 173.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.27 178.2 26.71 Favored Glycine 0 CA--C 1.538 1.524 0 CA-C-N 119.39 0.996 . . . . 0.0 115.291 176.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.6 mt -78.95 154.79 77.86 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.462 1.505 . . . . 0.0 111.137 171.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -65.31 146.19 85.4 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.568 2.178 . . . . 0.0 113.77 -172.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.3 t -145.92 57.03 1.21 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.41 1.884 . . . . 0.0 108.267 160.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -126.72 154.75 43.73 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.792 1.237 . . . . 0.0 111.982 -168.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.7 mt -63.67 -29.92 71.09 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 118.36 -0.828 . . . . 0.0 111.673 167.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -45.83 -36.64 6.73 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-N 120.153 1.342 . . . . 0.0 115.086 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -95.02 -45.92 7.04 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 118.418 1.109 . . . . 0.0 113.393 166.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.36 -43.91 76.41 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -172.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.21 -38.74 90.31 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 120.185 1.357 . . . . 0.0 110.867 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.27 -45.99 92.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.979 0.912 . . . . 0.0 111.163 169.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -68.07 -38.81 82.84 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.396 1.078 . . . . 0.0 113.126 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.79 -31.69 66.85 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 120.453 -1.405 . . . . 0.0 113.039 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -62.07 -34.0 75.46 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.559 0.618 . . . . 0.0 111.042 166.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -68.06 -45.59 73.45 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.576 170.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -54.13 -41.75 68.72 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.7 mt -65.0 -43.24 93.19 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.075 1.307 . . . . 0.0 113.337 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -69.09 -43.87 73.63 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.58 1.082 . . . . 0.0 112.007 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -61.54 -21.06 63.94 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.956 1.302 . . . . 0.0 113.954 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.16 -41.82 0.53 Allowed Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -160.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.5 p -92.85 167.88 11.54 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.884 1.342 . . . . 0.0 112.238 -177.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -73.25 -35.84 66.3 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.251 -0.906 . . . . 0.0 111.936 168.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -146.41 112.97 5.96 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.098 0.959 . . . . 0.0 112.466 172.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.9 t -67.82 -28.17 67.34 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.02 1.328 . . . . 0.0 113.258 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.88 -12.18 58.44 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -81.73 -14.82 56.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.021 0.928 . . . . 0.0 113.446 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -90.1 132.98 35.13 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.522 1.129 . . . . 0.0 111.038 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -116.94 -25.71 7.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.002 0.921 . . . . 0.0 112.902 -170.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -150.47 173.29 14.23 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.475 1.11 . . . . 0.0 112.699 168.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -145.08 158.72 43.73 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 126.079 1.751 . . . . 0.0 111.216 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.418 HG21 HD11 ' B' ' 22' ' ' LEU . 94.6 t -137.01 134.82 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 C-N-CA 125.072 1.349 . . . . 0.0 109.474 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.3 mt -120.75 130.86 74.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 C-N-CA 125.876 1.671 . . . . 0.0 107.807 -166.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.1 mt -117.17 117.64 30.15 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.0 0.92 . . . . 0.0 108.633 177.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.9 p -107.81 175.62 5.42 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.558 0.743 . . . . 0.0 111.995 -171.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -53.95 172.98 0.07 Allowed 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.303 -0.873 . . . . 0.0 111.546 160.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 53.43 29.5 8.97 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.126 1.37 . . . . 0.0 113.702 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp 56.83 35.48 26.34 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.53 1.932 . . . . 0.0 113.626 174.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -81.07 150.55 30.68 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.107 0.86 . . . . 0.0 113.438 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.67 136.01 26.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.73 2.412 . . . . 0.0 107.595 176.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -143.1 137.5 29.2 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.134 0.973 . . . . 0.0 110.503 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -117.0 134.16 55.1 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.255 1.022 . . . . 0.0 109.997 176.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.92 113.63 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.019 0.928 . . . . 0.0 109.747 -160.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -80.84 118.11 22.07 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.47 0.708 . . . . 0.0 110.695 -176.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.5 mt -77.48 -27.77 52.08 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.837 1.255 . . . . 0.0 111.066 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -64.11 0.92 0.8 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.407 1.883 . . . . 0.0 114.125 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 43.1 p -134.31 138.31 29.98 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.794 1.638 . . . . 0.0 110.218 171.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.71 153.08 45.01 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.704 2.936 . . . . 0.0 113.066 170.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tt -64.73 130.81 44.93 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.599 1.16 . . . . 0.0 110.749 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.65 174.84 9.71 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.488 1.515 . . . . 0.0 112.13 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -47.78 -34.89 9.11 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 116.59 2.071 . . . . 0.0 116.59 -168.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -71.35 -27.79 63.6 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.987 0.812 . . . . 0.0 112.398 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -89.87 -29.0 18.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.465 1.506 . . . . 0.0 109.986 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -62.12 -27.88 69.24 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.434 1.094 . . . . 0.0 113.825 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -127.56 -1.92 6.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -165.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.93 141.33 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 118.9 0.773 . . . . 0.0 110.836 168.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -106.86 139.56 41.08 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 122.56 1.171 . . . . 0.0 111.893 172.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.1 mt -78.27 149.48 33.55 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.958 2.103 . . . . 0.0 110.728 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.3 -24.91 64.91 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.449 1.099 . . . . 0.0 113.329 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.26 -175.03 36.24 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.987 0.803 . . . . 0.0 114.292 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -66.96 155.14 39.33 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.122 1.369 . . . . 0.0 113.305 174.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ttt -66.18 64.11 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 129.223 3.009 . . . . 0.0 114.372 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.403 ' CZ ' ' HE2' ' A' ' 95' ' ' LYS . 31.0 t80 -61.24 -45.41 94.66 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.41 -1.432 . . . . 0.0 113.993 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.403 ' HE2' ' CZ ' ' A' ' 94' ' ' TYR . 71.8 mmtt -142.83 155.86 44.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.93 1.292 . . . . 0.0 111.499 176.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 54.6 m -141.02 147.78 39.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.199 1.0 . . . . 0.0 110.085 166.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -129.48 138.41 51.38 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.421 2.289 . . . . 0.0 109.322 -175.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -130.94 140.95 50.23 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.823 0.849 . . . . 0.0 112.652 -170.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.519 ' CZ ' HD13 ' B' ' 22' ' ' LEU . 63.7 m-85 -126.7 128.95 47.49 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.927 1.291 . . . . 0.0 110.962 -163.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -77.88 164.25 25.32 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -43.13 109.94 0.16 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.127 1.771 . . . . 0.0 113.056 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.73 25.58 73.62 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.189 0.9 . . . . 0.0 115.102 176.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -122.12 158.04 30.18 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.154 1.477 . . . . 0.0 111.454 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.407 ' HB2' HD22 ' B' ' 23' ' ' ASN . 39.3 p -134.16 3.7 3.42 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -165.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -126.3 134.76 51.05 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.217 1.407 . . . . 0.0 108.476 161.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 p -62.46 163.02 9.3 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.5 t -132.76 -16.79 2.56 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.372 1.069 . . . . 0.0 113.746 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -125.31 140.06 53.15 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 169.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.439 HG23 ' NE2' ' B' ' 13' ' ' HIS . 14.8 m -141.96 154.01 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 C-N-CA 123.981 0.912 . . . . 0.0 111.273 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.8 mt -145.46 137.77 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.133 -167.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -113.73 133.37 55.39 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 125.634 1.574 . . . . 0.0 109.771 -169.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.47 -172.06 19.34 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 114.205 0.442 . . . . 0.0 114.205 -169.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -72.34 134.07 22.1 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.018 2.478 . . . . 0.0 111.774 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 154.63 -12.65 0.48 Allowed Glycine 0 CA--C 1.539 1.55 0 C-N-CA 126.987 2.232 . . . . 0.0 114.787 174.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt 63.45 -37.3 0.17 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.554 2.741 . . . . 0.0 116.795 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.1 t -170.52 153.54 4.28 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.744 1.617 . . . . 0.0 110.115 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -74.36 -26.35 60.07 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.252 -0.905 . . . . 0.0 112.896 171.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -69.38 20.63 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.593 1.957 . . . . 0.0 114.813 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.308 0.1 OUTLIER 58.24 153.63 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 129.265 3.026 . . . . 0.0 116.429 -163.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -149.33 73.77 1.21 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.592 1.957 . . . . 0.0 110.782 -167.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.8 t80 . . . . . 0 C--O 1.255 1.366 0 C-N-CA 124.403 1.081 . . . . 0.0 111.678 179.758 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.7 t -68.59 159.58 31.68 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.507 ' H ' ' HD2' ' B' ' 9' ' ' PRO . 4.8 t -151.09 -33.64 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 171.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.507 ' HD2' ' H ' ' B' ' 8' ' ' THR . 24.7 Cg_endo -86.25 57.66 4.02 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 123.777 2.985 . . . . 0.0 113.884 -169.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -136.2 88.96 2.43 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 126.737 2.015 . . . . 0.0 107.006 175.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 74.79 177.16 38.52 Favored Glycine 0 CA--C 1.533 1.2 1 CA-C-N 108.172 -4.104 . . . . 0.0 113.086 167.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.439 ' NE2' HG23 ' A' ' 109' ' ' VAL . 26.5 p-80 -157.24 154.04 28.51 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.405 1.103 . . . . 0.0 112.535 174.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -139.78 159.31 42.46 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.153 1.381 . . . . 0.0 111.698 -175.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.17 0.34 1.91 Allowed 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 166.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -117.19 -24.15 7.6 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -173.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -96.47 -14.3 22.47 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.662 1.185 . . . . 0.0 112.743 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.6 t -37.26 144.09 0.08 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 128.707 2.803 . . . . 0.0 116.145 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 65.5 tp -92.47 125.17 37.0 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 166.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.33 112.81 22.46 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.646 1.212 . . . . 0.0 109.819 164.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.519 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 5.0 mp -73.09 -24.43 60.65 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.38 1.072 . . . . 0.0 111.039 171.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . 0.407 HD22 ' HB2' ' A' ' 104' ' ' SER . 2.9 m-80 -146.62 150.2 35.0 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.331 2.252 . . . . 0.0 106.307 175.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.4 ' N ' ' CD ' ' B' ' 25' ' ' PRO . 8.9 t -150.22 26.75 0.04 OUTLIER Pre-proline 0 CA--C 1.559 1.311 0 N-CA-C 117.182 2.289 . . . . 0.0 117.182 -171.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' B' ' 24' ' ' THR . 82.7 Cg_endo -72.4 167.41 27.05 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.232 2.621 . . . . 0.0 113.343 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 p -148.46 153.94 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.678 1.591 . . . . 0.0 111.3 171.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -137.91 154.96 49.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.559 1.543 . . . . 0.0 111.089 173.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -145.9 124.77 12.68 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.669 1.587 . . . . 0.0 111.211 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.3 t -55.65 -34.97 65.44 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 -169.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 135.26 163.11 9.96 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.66 1.124 . . . . 0.0 113.985 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.7 mt -144.65 154.77 56.4 Favored Pre-proline 0 CA--C 1.542 0.639 0 C-N-CA 126.857 2.063 . . . . 0.0 109.621 174.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.54 137.82 28.48 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.919 1.746 . . . . 0.0 111.311 -178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.1 t -134.0 9.08 3.82 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.984 1.714 . . . . 0.0 111.746 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.8 p -130.78 140.04 50.27 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.592 1.557 . . . . 0.0 110.637 174.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.69 -38.94 67.62 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.521 1.128 . . . . 0.0 113.019 -171.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.78 -32.85 59.2 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.508 1.052 . . . . 0.0 115.515 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -77.16 -30.03 54.76 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.358 1.079 . . . . 0.0 112.365 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 tp -76.75 -44.92 31.14 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.44 1.096 . . . . 0.0 111.832 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -52.28 -44.49 65.01 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.067 1.347 . . . . 0.0 111.16 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.04 -38.26 67.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.489 0.715 . . . . 0.0 112.779 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -73.31 -48.61 32.99 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.219 -0.926 . . . . 0.0 111.035 173.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.3 -40.17 96.6 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.743 1.217 . . . . 0.0 113.748 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.5 ttm-85 -67.6 -35.36 78.83 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.63 1.972 . . . . 0.0 111.558 177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -70.72 -41.5 71.81 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 166.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CD1' HD13 ' A' ' 110' ' ' ILE . 1.0 OUTLIER -54.08 -34.32 59.86 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.922 1.289 . . . . 0.0 113.903 178.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.34 -45.77 75.39 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 177.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -66.33 -48.56 69.89 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.013 0.525 . . . . 0.0 110.773 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -68.93 -20.36 64.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.121 2.168 . . . . 0.0 114.514 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.18 -13.57 6.36 Favored Glycine 0 CA--C 1.535 1.289 0 N-CA-C 117.066 1.586 . . . . 0.0 117.066 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.5 p -101.79 168.22 9.58 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.819 1.81 . . . . 0.0 113.357 175.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -74.77 -37.87 62.32 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.39 0.676 . . . . 0.0 111.825 169.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -149.54 97.15 2.59 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.521 1.928 . . . . 0.0 112.768 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -61.6 -23.66 66.17 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.617 1.567 . . . . 0.0 114.198 174.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.84 -20.05 33.35 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 116.253 1.946 . . . . 0.0 116.253 -171.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -81.08 -17.58 49.56 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.265 1.426 . . . . 0.0 113.56 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 85.5 m-85 -78.48 154.29 30.66 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.216 1.006 . . . . 0.0 112.671 -177.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -139.55 -30.26 0.71 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.123 0.969 . . . . 0.0 113.034 -168.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -153.73 175.01 13.78 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 171.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -143.8 154.72 43.7 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.713 1.605 . . . . 0.0 112.342 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.7 137.28 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.416 1.486 . . . . 0.0 109.395 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.4 mt -122.18 134.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.769 1.628 . . . . 0.0 108.48 -164.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 38.7 mt -121.83 132.84 54.8 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.255 1.422 . . . . 0.0 110.083 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.4 p -124.19 174.54 7.61 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 122.195 0.998 . . . . 0.0 113.202 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -54.63 165.56 0.57 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 121.113 -0.992 . . . . 0.0 110.422 159.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 56.23 30.32 16.41 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 175.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm 64.87 10.59 6.27 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 128.38 2.672 . . . . 0.0 116.963 172.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.05 147.48 50.77 Favored Glycine 0 CA--C 1.542 1.728 0 N-CA-C 115.562 0.985 . . . . 0.0 115.562 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -138.36 131.27 29.71 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.441 2.296 . . . . 0.0 109.057 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -141.35 143.98 34.3 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.488 1.115 . . . . 0.0 111.117 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.9 t -131.52 132.99 44.62 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.273 1.029 . . . . 0.0 112.343 -175.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.5 t -143.04 137.83 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.998 1.319 . . . . 0.0 110.614 -170.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -87.91 155.97 19.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 123.146 1.45 . . . . 0.0 112.764 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.7 mt -113.24 -1.74 14.24 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.065 1.746 . . . . 0.0 112.211 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -56.58 -35.07 67.79 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.636 0.774 . . . . 0.0 111.784 167.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.2 p -144.94 165.47 22.19 Favored Pre-proline 0 N--CA 1.469 0.513 0 C-N-CA 126.257 1.823 . . . . 0.0 109.253 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.77 134.99 64.09 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 122.502 2.135 . . . . 0.0 110.465 160.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -58.91 156.57 11.24 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.53 144.86 50.49 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.093 0.957 . . . . 0.0 112.699 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -59.0 -30.17 67.79 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.925 -1.109 . . . . 0.0 112.017 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.46 -22.16 66.2 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.734 1.614 . . . . 0.0 112.827 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -97.14 -29.29 13.69 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.218 1.807 . . . . 0.0 111.15 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.81 -43.45 94.5 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.636 1.107 . . . . 0.0 111.681 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -80.65 3.26 22.62 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 p -83.65 145.86 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 120.478 1.49 . . . . 0.0 111.623 -173.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.88 149.74 49.44 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.013 1.325 . . . . 0.0 113.842 -173.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 87.5 mt -105.38 116.82 32.6 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.256 1.422 . . . . 0.0 111.781 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.6 mt -60.0 -25.23 65.1 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.268 1.827 . . . . 0.0 114.13 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -175.06 179.37 46.38 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 124.103 0.859 . . . . 0.0 114.421 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -65.57 156.14 33.59 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.368 1.467 . . . . 0.0 113.845 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.8 ttt -69.3 73.48 0.33 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 127.271 2.228 . . . . 0.0 113.778 -175.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -54.69 -56.43 19.3 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.886 -1.134 . . . . 0.0 112.718 174.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -151.59 161.66 42.29 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 119.477 1.035 . . . . 0.0 112.565 176.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 63.2 m -138.78 144.77 39.52 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.975 1.31 . . . . 0.0 109.696 171.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -125.7 138.5 53.88 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 126.795 2.038 . . . . 0.0 109.718 -172.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -129.54 143.35 50.79 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.852 0.861 . . . . 0.0 111.799 -171.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -128.96 127.73 42.29 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.318 1.047 . . . . 0.0 111.21 -163.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 36.3 mttt -67.85 161.24 26.73 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 121.175 0.512 . . . . 0.0 111.612 172.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -51.76 123.53 10.38 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.251 1.02 . . . . 0.0 112.129 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.83 -2.86 47.55 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.871 1.508 . . . . 0.0 116.871 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -85.63 165.48 16.98 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.733 1.766 . . . . 0.0 112.617 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.6 p -136.08 1.37 2.71 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.975 1.71 . . . . 0.0 114.773 -177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -127.53 132.93 49.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.798 1.239 . . . . 0.0 109.477 165.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 p -63.78 154.92 31.89 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -170.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.2 t -123.6 -16.73 6.66 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.451 ' CE2' HD11 ' A' ' 110' ' ' ILE . 69.8 t80 -135.31 132.78 38.12 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 126.362 1.865 . . . . 0.0 107.426 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.565 HG22 ' OD1' ' B' ' 15' ' ' ASP . 4.0 m -138.94 162.42 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 123.169 1.461 . . . . 0.0 113.095 177.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.451 HD11 ' CE2' ' A' ' 108' ' ' TYR . 5.8 mt -149.05 141.72 18.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.9 -169.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -113.64 148.07 36.95 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.432 1.493 . . . . 0.0 110.453 -170.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.19 -172.44 18.15 Favored Glycine 0 CA--C 1.528 0.849 0 O-C-N 121.975 -0.453 . . . . 0.0 112.881 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -66.65 126.97 16.28 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.866 1.711 . . . . 0.0 110.428 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.88 -37.51 0.34 Allowed Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.702 1.62 . . . . 0.0 114.12 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp 50.33 -15.67 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 130.012 3.325 . . . . 0.0 119.886 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.1 t -163.26 145.4 9.95 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.396 1.453 . . . . 0.0 110.467 -175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -76.92 -19.89 56.85 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.516 -0.74 . . . . 0.0 112.38 170.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -74.01 62.29 0.87 Allowed 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.177 2.191 . . . . 0.0 114.906 -168.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 61.7 t80 47.01 38.71 6.64 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.898 2.079 . . . . 0.0 115.705 162.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 36.84 41.94 0.2 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.46 2.304 . . . . 0.0 117.185 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.8 t80 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 124.955 1.302 . . . . 0.0 111.58 -178.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.1 t -139.96 168.1 20.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.799 1.24 . . . . 0.0 112.044 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.84 155.36 32.23 Favored Pre-proline 0 N--CA 1.476 0.869 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -51.14 179.86 0.03 OUTLIER 'Trans proline' 0 CA--C 1.548 1.188 1 C-N-CA 126.309 4.673 . . . . 0.0 119.889 171.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.26 -37.54 87.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 127.069 2.148 . . . . 0.0 116.153 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.21 170.6 0.01 OUTLIER Glycine 0 CA--C 1.54 1.596 0 CA-C-N 108.447 -3.979 . . . . 0.0 118.429 162.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -152.29 164.82 36.64 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.155 -1.203 . . . . 0.0 112.327 170.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.565 ' OD1' HG22 ' A' ' 109' ' ' VAL . 3.4 m-20 -131.57 157.43 43.64 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 114.794 -1.093 . . . . 0.0 113.613 -160.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -135.91 -17.7 1.64 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.46 12.24 2.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.542 1.537 . . . . 0.0 113.803 -176.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -135.99 57.05 1.8 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.837 2.055 . . . . 0.0 109.481 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.5 t -119.33 157.2 28.6 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.005 1.322 . . . . 0.0 111.591 -173.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.1 tp -99.36 117.29 33.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 167.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.68 111.43 17.94 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 122.222 1.01 . . . . 0.0 109.818 160.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -68.71 -29.15 67.52 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.493 1.117 . . . . 0.0 110.256 165.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -154.82 157.71 38.33 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.968 2.907 . . . . 0.0 106.329 171.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -132.13 -4.7 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.255 0 N-CA-C 118.025 2.602 . . . . 0.0 118.025 -170.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -77.89 164.66 27.38 Favored 'Trans proline' 0 C--N 1.357 0.989 0 CA-C-N 123.603 2.322 . . . . 0.0 111.793 174.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 p -143.07 134.07 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.787 0.835 . . . . 0.0 111.342 174.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -141.49 4.25 1.75 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.49 1.516 . . . . 0.0 113.426 -175.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt 53.46 73.46 0.37 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.023 1.729 . . . . 0.0 112.533 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 120.11 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 m 31.01 48.66 0.07 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 129.293 3.037 . . . . 0.0 117.006 168.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.3 -28.66 0.98 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.288 0.946 . . . . 0.0 113.949 175.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.3 mt -141.67 144.95 35.09 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 125.544 1.538 . . . . 0.0 110.532 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -50.47 138.86 38.63 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.666 2.911 . . . . 0.0 113.644 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 t -72.38 -14.43 61.71 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.0 p -96.0 140.55 30.57 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.978 1.717 . . . . 0.0 113.18 -174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.85 -36.3 72.13 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.026 1.33 . . . . 0.0 112.391 175.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.05 -48.85 57.68 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 123.703 0.668 . . . . 0.0 113.334 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.3 -33.06 69.37 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.527 -0.984 . . . . 0.0 113.138 175.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.45 -41.67 98.91 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 118.986 0.812 . . . . 0.0 111.757 171.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.44 -35.25 77.06 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.169 0.895 . . . . 0.0 113.142 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.03 -43.21 93.16 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.526 0.73 . . . . 0.0 111.213 172.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -62.8 -49.69 73.94 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.473 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.32 -32.78 74.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 120.162 1.347 . . . . 0.0 113.135 -175.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -64.06 -37.39 87.27 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.239 0.927 . . . . 0.0 111.718 167.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -67.66 -47.51 69.31 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.471 -0.775 . . . . 0.0 112.201 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CE1' HG23 ' B' ' 8' ' ' THR . 17.0 m-85 -53.08 -44.23 67.37 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.727 1.211 . . . . 0.0 111.169 171.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.62 -56.79 10.3 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -66.23 -42.78 88.19 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.359 0.527 . . . . 0.0 111.509 -174.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -74.96 -13.81 60.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.213 1.005 . . . . 0.0 113.464 176.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.53 -28.31 4.35 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -170.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.3 p -115.52 172.69 6.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 119.487 1.643 . . . . 0.0 113.317 -167.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.69 -46.06 80.47 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.05 -38.87 1.22 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 -174.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t 59.61 -34.51 0.06 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.253 2.221 . . . . 0.0 115.868 -163.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.18 -10.75 24.97 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -93.96 -10.26 34.31 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -71.32 144.17 50.04 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.188 0.904 . . . . 0.0 112.116 172.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -122.74 -37.83 2.71 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.906 1.682 . . . . 0.0 111.025 -171.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 pttm -143.05 169.68 17.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.71 0.767 . . . . 0.0 112.52 165.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -141.2 162.32 35.77 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.198 1.799 . . . . 0.0 111.262 174.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.66 HG11 HD23 ' B' ' 20' ' ' LEU . 8.9 p -138.05 141.55 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.011 1.324 . . . . 0.0 110.197 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.4 mt -123.73 121.56 62.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.826 1.65 . . . . 0.0 108.289 -165.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp -118.13 111.21 18.57 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.005 1.722 . . . . 0.0 109.708 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.9 p -108.79 174.28 5.94 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.457 1.103 . . . . 0.0 112.367 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -50.71 164.13 0.15 Allowed 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.396 -0.815 . . . . 0.0 110.996 160.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 62.1 31.89 17.66 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.587 1.155 . . . . 0.0 113.992 168.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 62.96 21.89 13.14 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.026 2.131 . . . . 0.0 113.55 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.7 124.57 24.33 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 168.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -142.05 123.15 14.61 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.246 1.818 . . . . 0.0 106.97 177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -139.88 140.53 36.5 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.316 1.047 . . . . 0.0 110.231 -172.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -117.53 143.29 46.23 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.792 0.837 . . . . 0.0 111.593 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.0 t -143.02 127.21 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.512 1.925 . . . . 0.0 109.731 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -93.72 123.68 37.21 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.505 0.722 . . . . 0.0 109.455 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.8 mt -82.09 -10.28 59.25 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.199 1.4 . . . . 0.0 113.701 -171.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -63.65 -13.74 45.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.29 1.436 . . . . 0.0 114.236 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.8 p -147.1 155.95 46.96 Favored Pre-proline 0 C--O 1.238 0.46 0 C-N-CA 125.801 1.641 . . . . 0.0 110.513 -167.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -64.1 154.83 68.35 Favored 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 123.884 3.056 . . . . 0.0 112.056 169.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -62.6 162.37 10.64 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.945 1.298 . . . . 0.0 114.44 172.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.56 162.41 13.65 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.736 1.215 . . . . 0.0 111.7 161.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -58.66 -22.61 57.37 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.294 1.038 . . . . 0.0 113.741 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -59.46 -43.57 93.17 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.07 -1.019 . . . . 0.0 111.003 178.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -66.57 -34.49 78.02 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.143 0.977 . . . . 0.0 111.864 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -63.59 -11.37 24.33 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.148 0.979 . . . . 0.0 113.485 173.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -128.79 0.7 5.41 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.94 1.696 . . . . 0.0 114.132 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -91.04 120.44 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 120.759 1.618 . . . . 0.0 110.676 -175.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -77.12 101.47 6.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.746 1.618 . . . . 0.0 112.198 -172.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.5 mt -47.36 120.4 3.19 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.886 1.675 . . . . 0.0 112.281 177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.75 -29.99 63.12 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.683 1.193 . . . . 0.0 114.029 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -151.12 -179.45 26.86 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.538 1.066 . . . . 0.0 114.944 -176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.44 152.46 45.37 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.594 1.158 . . . . 0.0 111.983 167.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.3 ttp -74.79 70.19 1.88 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.307 1.843 . . . . 0.0 113.872 -171.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -59.0 -47.11 86.39 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -147.87 164.36 33.94 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.8 m -146.38 145.36 30.25 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.157 1.383 . . . . 0.0 109.612 171.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -134.34 147.23 50.51 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.111 0.965 . . . . 0.0 111.291 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -137.13 144.16 42.87 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.383 1.073 . . . . 0.0 112.354 -166.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.436 ' CZ ' HD13 ' B' ' 22' ' ' LEU . 50.4 m-85 -133.57 120.94 21.38 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.054 1.341 . . . . 0.0 109.465 -164.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -69.4 165.9 19.82 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.732 -0.605 . . . . 0.0 111.664 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -43.28 101.92 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.488 1.515 . . . . 0.0 112.997 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.89 -11.23 68.05 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.939 1.536 . . . . 0.0 116.939 177.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -63.37 165.09 8.09 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 120.402 2.101 . . . . 0.0 112.865 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.2 p -136.52 7.71 3.06 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.621 1.568 . . . . 0.0 113.054 168.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -135.63 136.26 40.85 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.89 -1.131 . . . . 0.0 109.462 163.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.46 126.99 31.2 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -165.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.1 t -81.41 -26.92 35.02 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.12 1.368 . . . . 0.0 113.662 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -131.21 137.53 48.97 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 124.705 1.202 . . . . 0.0 109.658 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.457 HG23 ' NE2' ' B' ' 13' ' ' HIS . 12.0 m -141.32 163.51 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 122.536 1.16 . . . . 0.0 112.661 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 mt -144.33 144.93 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 125.268 1.427 . . . . 0.0 107.678 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -121.86 161.91 21.91 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.749 1.22 . . . . 0.0 111.99 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.94 -166.52 28.14 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-N 115.224 -0.898 . . . . 0.0 113.82 -173.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -72.44 133.13 20.22 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.019 2.479 . . . . 0.0 111.245 -173.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 152.21 -23.77 0.88 Allowed Glycine 0 CA--C 1.536 1.405 0 C-N-CA 126.514 2.007 . . . . 0.0 113.957 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 76.8 tttt 59.93 -23.77 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 128.292 2.637 . . . . 0.0 117.234 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -161.78 158.24 25.41 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.815 1.646 . . . . 0.0 110.248 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -86.65 -2.29 58.39 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 167.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -115.78 99.34 7.23 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 120.427 -1.421 . . . . 0.0 112.403 -163.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 47.86 27.79 1.21 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 171.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 47.46 36.04 4.72 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.95 2.5 . . . . 0.0 116.152 -171.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 33.4 t80 . . . . . 0 C--O 1.253 1.243 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -176.491 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -151.27 32.52 0.58 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.743 1.617 . . . . 0.0 111.266 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.471 ' H ' ' HD2' ' B' ' 9' ' ' PRO . 0.9 OUTLIER -163.93 -44.37 0.0 OUTLIER Pre-proline 0 N--CA 1.477 0.881 0 N-CA-C 116.795 2.146 . . . . 0.0 116.795 -177.649 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.471 ' HD2' ' H ' ' B' ' 8' ' ' THR . 55.3 Cg_endo -73.97 81.01 2.01 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 CA-C-N 123.505 2.287 . . . . 0.0 116.046 -167.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -136.75 99.31 4.01 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 128.208 2.603 . . . . 0.0 105.521 160.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.37 179.75 6.78 Favored Glycine 0 N--CA 1.435 -1.38 1 CA-C-N 104.324 -5.853 . . . . 0.0 114.502 160.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.457 ' NE2' HG23 ' A' ' 109' ' ' VAL . 36.7 p-80 -160.2 147.7 16.34 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 123.022 1.392 . . . . 0.0 114.359 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -124.78 157.49 35.65 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.696 1.599 . . . . 0.0 112.496 -161.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -138.43 12.61 2.77 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -140.78 -25.53 0.75 Allowed 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 125.873 1.669 . . . . 0.0 114.631 -171.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -127.98 22.57 6.21 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.839 2.456 . . . . 0.0 111.685 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -55.47 162.61 1.51 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.471 1.908 . . . . 0.0 112.741 161.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.66 HD23 HG11 ' A' ' 63' ' ' VAL . 25.0 tp -108.69 128.15 54.61 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 125.999 1.72 . . . . 0.0 107.224 164.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.38 140.63 29.84 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.059 0.944 . . . . 0.0 111.125 169.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.436 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 2.0 mp -120.99 13.08 11.3 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 128.222 2.609 . . . . 0.0 113.313 -174.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -61.69 -20.15 63.15 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 -171.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.477 ' H ' ' HD2' ' B' ' 25' ' ' PRO . 12.5 t -134.0 -26.96 0.02 OUTLIER Pre-proline 0 N--CA 1.487 1.392 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 -174.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.477 ' HD2' ' H ' ' B' ' 24' ' ' THR . 41.5 Cg_endo -86.17 170.65 8.18 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.823 2.349 . . . . 0.0 112.199 171.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 8.7 p -131.18 -27.62 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 38.76 15.75 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 130.672 3.589 . . . . 0.0 117.689 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -157.78 111.05 2.47 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.783 1.633 . . . . 0.0 111.471 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 O-C-N 120.995 -1.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 117.611 -1.185 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.1 p -149.12 -7.05 0.36 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 -165.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.56 -10.42 0.33 Allowed Glycine 0 CA--C 1.539 1.576 0 CA-C-N 120.494 1.497 . . . . 0.0 116.761 -175.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.7 mt -145.99 164.66 24.07 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 127.709 2.403 . . . . 0.0 109.831 175.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -58.27 162.21 12.38 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.25 2.633 . . . . 0.0 113.461 173.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.7 t -116.86 -14.7 10.7 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -171.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.6 p -83.75 131.61 34.9 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.751 -1.218 . . . . 0.0 111.109 176.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.25 -38.76 63.31 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.0 -42.76 61.14 Favored Glycine 0 CA--C 1.538 1.524 0 CA-C-N 119.368 0.985 . . . . 0.0 114.984 172.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.91 -41.21 71.55 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.337 1.069 . . . . 0.0 112.267 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.5 tp -63.07 -42.22 99.62 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.615 0.643 . . . . 0.0 111.939 174.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.47 -39.38 83.48 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.74 1.154 . . . . 0.0 112.753 174.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.12 -46.91 86.94 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.363 0.528 . . . . 0.0 110.676 173.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -61.86 -41.57 98.01 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 123.829 0.852 . . . . 0.0 112.881 174.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.86 -35.23 76.66 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 120.252 1.387 . . . . 0.0 112.832 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 -69.8 -31.31 69.14 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.642 -0.662 . . . . 0.0 111.254 170.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -64.64 -47.75 77.38 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.503 166.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CD1' HG21 ' A' ' 110' ' ' ILE . 5.1 m-85 -55.07 -32.81 62.23 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.77 1.228 . . . . 0.0 113.281 176.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.75 -51.02 62.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 119.53 1.059 . . . . 0.0 113.521 171.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -67.77 -41.15 83.72 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.232 0.924 . . . . 0.0 112.185 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -64.1 -28.62 69.9 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.935 2.094 . . . . 0.0 113.65 174.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.92 -9.12 5.36 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 117.182 1.633 . . . . 0.0 117.182 -160.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.2 p -120.53 158.09 28.04 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.251 1.525 . . . . 0.0 112.178 175.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.42 -34.87 76.77 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.152 0.581 . . . . 0.0 111.354 174.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -147.58 113.93 5.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.016 1.327 . . . . 0.0 112.723 173.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.7 p -76.59 -17.21 59.32 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.12 6.61 3.33 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -171.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -107.1 -11.32 15.66 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.005 1.722 . . . . 0.0 113.782 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 90.9 m-85 -87.41 144.08 26.93 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.863 0.865 . . . . 0.0 111.753 -173.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -124.44 -28.71 3.59 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.161 0.984 . . . . 0.0 111.916 -170.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -152.19 171.22 18.26 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 122.157 0.98 . . . . 0.0 113.138 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -145.41 159.84 42.47 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 126.275 1.83 . . . . 0.0 111.515 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.635 HG11 HD23 ' B' ' 20' ' ' LEU . 10.4 p -146.88 137.77 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 125.3 1.44 . . . . 0.0 109.397 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.4 mt -126.19 129.46 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.735 1.614 . . . . 0.0 109.565 -160.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 mt -121.48 130.67 53.7 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.014 1.326 . . . . 0.0 110.836 -179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.5 p -121.5 174.92 6.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.694 1.198 . . . . 0.0 112.405 -172.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -54.27 167.42 0.31 Allowed 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.73 -0.607 . . . . 0.0 109.668 160.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 58.48 26.42 14.23 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.146 0.978 . . . . 0.0 112.455 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt 42.98 35.76 0.8 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 129.641 3.176 . . . . 0.0 115.947 -175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -61.83 143.26 48.59 Favored Glycine 0 CA--C 1.534 1.229 0 N-CA-C 112.313 -0.315 . . . . 0.0 112.313 169.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -141.63 130.81 23.41 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.113 2.165 . . . . 0.0 108.178 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -147.84 130.06 15.57 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.313 1.045 . . . . 0.0 110.827 -176.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 m -108.53 141.36 40.55 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.22 1.008 . . . . 0.0 110.47 176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.3 t -142.94 124.02 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.89 1.276 . . . . 0.0 109.238 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -74.92 147.97 40.49 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.926 0.869 . . . . 0.0 112.06 171.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.07 -10.81 15.8 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.728 2.011 . . . . 0.0 113.083 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.3 -15.21 23.16 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.118 0.872 . . . . 0.0 113.003 165.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.9 p -147.19 159.66 41.8 Favored Pre-proline 0 C--O 1.239 0.548 0 C-N-CA 127.361 2.265 . . . . 0.0 109.832 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.87 156.94 40.74 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 123.36 2.706 . . . . 0.0 112.321 162.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -66.99 149.4 50.69 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.739 0.78 . . . . 0.0 112.92 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.23 150.94 33.0 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.361 1.064 . . . . 0.0 113.21 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -59.56 -22.93 62.43 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.076 -1.015 . . . . 0.0 113.358 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -61.13 -20.42 62.66 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.225 1.81 . . . . 0.0 113.405 171.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -118.2 -12.62 9.96 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.134 1.774 . . . . 0.0 113.773 -173.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -63.74 -22.67 67.02 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.667 -1.271 . . . . 0.0 114.093 -171.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -135.37 2.97 3.05 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.779 1.232 . . . . 0.0 113.352 -171.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.76 137.85 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.587 1.155 . . . . 0.0 111.442 -176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -83.64 126.99 33.41 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.83 0.824 . . . . 0.0 112.877 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.52 138.64 58.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.174 2.19 . . . . 0.0 112.853 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 mt -63.64 -21.95 66.64 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 115.243 1.572 . . . . 0.0 115.243 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -172.51 -175.54 40.59 Favored Glycine 0 CA--C 1.527 0.817 0 CA-C-N 119.559 1.072 . . . . 0.0 113.784 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -58.5 141.14 52.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.407 1.483 . . . . 0.0 110.555 172.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 58.5 ttp -63.52 130.82 45.98 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.346 -0.846 . . . . 0.0 110.616 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -111.88 -38.48 4.81 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.338 0.517 . . . . 0.0 112.07 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -158.44 153.53 25.39 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.0 m -134.95 147.15 49.7 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.156 1.382 . . . . 0.0 109.102 171.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -127.96 137.59 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 125.812 1.645 . . . . 0.0 109.772 -174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -131.46 142.92 50.09 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.888 1.275 . . . . 0.0 111.918 -170.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -131.75 124.19 29.21 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 125.441 1.496 . . . . 0.0 108.503 -163.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -64.95 167.17 8.11 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 118.333 0.515 . . . . 0.0 111.282 170.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -36.93 112.08 0.18 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.653 1.581 . . . . 0.0 113.315 168.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.83 -1.12 85.07 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 125.562 1.553 . . . . 0.0 116.547 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -73.56 148.15 43.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 120.025 1.913 . . . . 0.0 113.38 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.467 ' HB2' ' HA ' ' B' ' 23' ' ' ASN . 72.4 p -126.2 3.62 7.12 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.26 1.424 . . . . 0.0 113.652 175.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -137.86 123.51 19.8 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.406 1.483 . . . . 0.0 107.745 165.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 81.3 p -54.71 158.75 2.47 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -169.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.7 t -124.59 -17.52 5.95 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.327 1.451 . . . . 0.0 114.117 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -133.3 141.69 48.09 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.39 1.476 . . . . 0.0 107.745 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.421 HG23 ' NE2' ' B' ' 13' ' ' HIS . 3.1 m -146.24 153.39 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 124.989 1.316 . . . . 0.0 111.535 -171.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.42 HG21 ' CD1' ' A' ' 48' ' ' TYR . 4.7 mt -145.6 126.55 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -175.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -93.07 162.88 13.86 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.943 0.497 . . . . 0.0 110.3 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.16 167.25 28.97 Favored Glycine 0 CA--C 1.535 1.335 0 O-C-N 121.76 -0.588 . . . . 0.0 114.453 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.54 36.57 0.62 Allowed 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 124.538 3.492 . . . . 0.0 113.937 -166.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.95 -14.81 57.33 Favored Glycine 0 CA--C 1.533 1.217 0 O-C-N 121.07 -1.019 . . . . 0.0 113.583 173.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 53.71 -5.94 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 128.534 2.733 . . . . 0.0 117.743 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -175.1 160.47 2.74 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.851 2.46 . . . . 0.0 108.896 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -82.2 -19.93 38.81 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 121.228 -0.92 . . . . 0.0 112.057 163.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -75.43 78.9 2.48 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.211 1.804 . . . . 0.0 114.397 -170.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 47.63 33.63 3.14 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 117.624 2.453 . . . . 0.0 117.624 162.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 46.41 46.29 13.84 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.211 1.805 . . . . 0.0 114.884 -176.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 37.3 t80 . . . . . 0 C--O 1.253 1.278 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 169.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -137.78 19.28 2.86 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.431 1.492 . . . . 0.0 113.543 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 59.7 m -124.39 134.4 25.49 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.706 1.202 . . . . 0.0 110.634 -175.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.96 177.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 124.628 3.552 . . . . 0.0 115.392 167.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.87 127.16 29.97 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.347 -0.845 . . . . 0.0 109.583 161.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.99 178.39 2.29 Favored Glycine 0 CA--C 1.532 1.136 1 CA-C-N 108.325 -4.034 . . . . 0.0 115.867 173.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.421 ' NE2' HG23 ' A' ' 109' ' ' VAL . 40.5 p-80 -161.12 150.68 16.92 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.228 -1.16 . . . . 0.0 111.016 165.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -160.43 165.73 30.54 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 113.765 -1.562 . . . . 0.0 109.686 -176.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -142.28 2.14 1.45 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.386 1.875 . . . . 0.0 112.557 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -90.57 -18.36 25.36 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -120.21 -0.07 10.55 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.039 1.335 . . . . 0.0 113.213 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -49.36 149.28 2.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.871 2.068 . . . . 0.0 114.57 -168.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.635 HD23 HG11 ' A' ' 63' ' ' VAL . 31.7 tp -92.28 117.22 29.68 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 167.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.5 85.98 4.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.642 2.377 . . . . 0.0 111.419 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.1 mp -61.4 -49.07 78.36 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.709 1.604 . . . . 0.0 111.261 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 104' ' ' SER . 7.4 m120 45.31 -10.38 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 130.848 3.659 . . . . 0.0 120.845 175.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 9.9 t -57.25 -28.64 4.87 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 118.56 2.8 . . . . 0.0 118.56 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.61 163.03 31.69 Favored 'Trans proline' 0 C--N 1.355 0.876 0 CA-C-N 123.489 2.282 . . . . 0.0 112.059 170.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.503 HG22 ' H ' ' B' ' 28' ' ' LYS . 12.2 p -156.38 145.1 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.883 0.873 . . . . 0.0 110.952 -170.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -80.21 -4.08 51.66 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.503 ' H ' HG22 ' B' ' 26' ' ' VAL . 36.7 ttmt -121.65 94.13 4.22 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 127.993 2.517 . . . . 0.0 109.827 176.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 120.319 -1.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 m -143.63 2.0 1.21 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.397 1.479 . . . . 0.0 113.633 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.76 177.91 39.96 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.862 1.22 . . . . 0.0 112.561 -177.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -140.17 145.07 40.15 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 124.083 0.953 . . . . 0.0 111.637 -175.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -69.47 141.56 46.76 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.358 2.705 . . . . 0.0 113.236 -175.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.8 t -136.58 19.1 3.1 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.176 1.79 . . . . 0.0 112.129 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.3 p -95.83 144.89 25.8 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.112 -0.993 . . . . 0.0 112.539 170.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.55 -41.5 66.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.581 1.552 . . . . 0.0 112.835 -176.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.23 -39.12 94.16 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 123.964 0.792 . . . . 0.0 114.432 -178.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -77.19 -36.69 54.74 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.724 -0.868 . . . . 0.0 111.551 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.32 -44.46 92.57 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 118.562 -0.732 . . . . 0.0 112.64 166.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -55.48 -42.65 74.66 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.111 1.364 . . . . 0.0 112.677 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.51 -36.73 85.16 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.057 -0.402 . . . . 0.0 111.169 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -69.48 -42.5 74.75 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.839 0.856 . . . . 0.0 111.966 172.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.47 -39.13 88.63 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.338 1.427 . . . . 0.0 113.521 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.9 mtt-85 -63.8 -31.17 72.27 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.443 0.565 . . . . 0.0 111.11 170.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.01 -41.93 70.25 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 117.644 -1.169 . . . . 0.0 112.709 167.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -58.68 -31.74 68.49 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 120.915 1.688 . . . . 0.0 113.019 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 mt -65.85 -51.08 61.88 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 121.124 -0.985 . . . . 0.0 113.249 171.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -65.25 -44.98 86.42 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.641 0.655 . . . . 0.0 112.094 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -61.11 -27.05 68.1 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.842 1.657 . . . . 0.0 113.816 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -123.65 -3.89 8.32 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 116.66 1.424 . . . . 0.0 116.66 -161.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.8 p -132.62 156.93 46.02 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 120.395 2.098 . . . . 0.0 111.339 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -63.84 -31.28 72.4 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 117.469 -1.253 . . . . 0.0 113.501 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.85 -21.46 3.04 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 118.474 2.768 . . . . 0.0 118.474 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.6 p 41.59 32.34 0.24 Allowed 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.15 -21.09 0.63 Allowed 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 -168.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -69.84 -18.39 63.44 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.536 1.934 . . . . 0.0 112.892 171.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.45 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.0 m-85 -77.97 151.35 33.69 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.767 2.027 . . . . 0.0 112.23 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -123.52 -28.58 3.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.033 0.933 . . . . 0.0 113.341 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -155.53 169.24 24.75 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.345 1.458 . . . . 0.0 111.977 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -145.99 156.51 43.54 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.225 1.81 . . . . 0.0 110.855 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.631 HG11 HD23 ' B' ' 20' ' ' LEU . 11.5 p -143.59 142.11 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 124.401 1.08 . . . . 0.0 110.055 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.0 mt -127.42 124.92 64.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 125.37 1.468 . . . . 0.0 107.505 -163.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.6 mt -118.55 129.13 55.17 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.506 0.722 . . . . 0.0 109.685 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.5 p -119.14 171.36 8.33 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.952 -169.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -52.97 159.83 1.09 Allowed 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.694 -0.629 . . . . 0.0 109.672 160.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 65.82 33.61 7.96 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.344 1.058 . . . . 0.0 113.554 170.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 61.51 38.06 16.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 126.889 2.076 . . . . 0.0 113.935 170.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.93 141.07 18.32 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 123.714 0.673 . . . . 0.0 113.6 171.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -139.59 128.48 23.47 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 128.452 2.701 . . . . 0.0 106.848 170.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.54 134.87 31.23 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.897 0.879 . . . . 0.0 110.304 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.0 t -122.25 139.54 53.66 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.498 1.119 . . . . 0.0 111.495 -178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.6 t -144.22 131.92 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.364 1.466 . . . . 0.0 110.296 -173.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -81.23 138.59 35.78 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 122.032 0.92 . . . . 0.0 111.921 172.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.5 mt -90.12 -14.0 34.58 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.975 1.71 . . . . 0.0 111.902 175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -55.75 -28.45 55.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.974 1.31 . . . . 0.0 112.857 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.1 p -148.86 169.34 9.31 Favored Pre-proline 0 CA--C 1.54 0.592 0 C-N-CA 127.492 2.317 . . . . 0.0 109.77 -171.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -70.26 151.41 66.22 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 123.016 2.477 . . . . 0.0 111.301 164.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -76.53 155.24 33.88 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.783 0.801 . . . . 0.0 112.929 173.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.17 143.7 57.56 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.455 1.102 . . . . 0.0 112.409 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -57.05 -35.03 68.85 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 120.468 -1.395 . . . . 0.0 114.128 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -71.49 -13.96 61.97 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.918 -1.114 . . . . 0.0 112.885 177.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -96.19 -33.47 12.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.049 1.74 . . . . 0.0 111.548 168.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -56.38 -41.21 75.87 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 120.148 1.34 . . . . 0.0 111.665 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -83.71 -3.51 57.85 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 p -79.39 139.89 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 CA-C-N 120.683 1.583 . . . . 0.0 110.527 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -81.22 137.91 35.83 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.188 0.994 . . . . 0.0 112.41 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.7 132.01 44.75 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.396 1.878 . . . . 0.0 110.691 174.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.8 -30.65 65.86 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -162.86 -172.25 30.1 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.79 1.186 . . . . 0.0 113.032 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -65.42 151.33 46.58 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.183 1.393 . . . . 0.0 113.071 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 36.6 ttp -70.07 69.45 0.34 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.109 2.163 . . . . 0.0 113.802 -174.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -49.26 -48.57 45.72 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.243 1.017 . . . . 0.0 112.387 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.52 ' HE2' ' CE2' ' A' ' 97' ' ' TYR . 63.4 tttt -163.88 156.11 17.28 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -139.39 149.94 44.71 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.853 1.661 . . . . 0.0 109.708 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.52 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 4.4 m-85 -133.69 150.24 51.53 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.616 1.566 . . . . 0.0 111.784 -174.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -141.49 145.47 35.24 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.597 1.159 . . . . 0.0 112.683 -168.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.43 ' HE1' HG12 ' A' ' 63' ' ' VAL . 31.0 m-85 -135.88 128.83 31.34 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.256 1.422 . . . . 0.0 110.005 -163.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -69.44 162.22 27.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.688 0.795 . . . . 0.0 111.253 171.723 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -44.51 109.43 0.16 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.521 1.528 . . . . 0.0 112.113 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.71 -6.39 70.33 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.016 1.293 . . . . 0.0 116.303 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -76.12 154.46 35.48 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.189 1.995 . . . . 0.0 113.465 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.1 m -135.47 12.65 3.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.976 2.51 . . . . 0.0 112.481 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -142.25 130.94 22.71 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.939 2.096 . . . . 0.0 107.865 163.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -61.7 163.38 7.33 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -169.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.3 t -127.68 -15.14 5.03 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.503 1.521 . . . . 0.0 113.093 173.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -139.13 134.78 33.31 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 125.843 1.657 . . . . 0.0 108.346 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.478 HG23 ' NE2' ' B' ' 13' ' ' HIS . 16.1 m -142.96 160.84 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.829 1.251 . . . . 0.0 111.98 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.3 mt -146.0 130.93 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -172.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -96.51 167.08 11.37 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.458 0.703 . . . . 0.0 110.761 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.03 -166.25 21.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 121.871 -0.518 . . . . 0.0 113.311 178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -68.81 124.38 11.41 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.146 2.564 . . . . 0.0 110.461 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 148.82 126.39 1.52 Allowed Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.763 2.125 . . . . 0.0 108.929 -177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -99.3 -21.82 15.88 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -165.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.0 t -167.11 150.22 6.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.481 1.513 . . . . 0.0 108.576 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -71.74 -23.19 61.57 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.595 -0.691 . . . . 0.0 112.262 173.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -74.27 20.9 0.11 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -168.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 8.2 t80 84.21 120.33 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 128.163 2.585 . . . . 0.0 112.307 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -151.19 20.5 0.76 Allowed 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -175.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 65.5 t80 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.204 1.402 . . . . 0.0 111.925 173.836 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.019 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 12.0 t -145.89 7.51 1.08 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.494 1.518 . . . . 0.0 113.798 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -156.42 166.58 16.19 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 126.122 1.769 . . . . 0.0 110.3 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -48.36 164.49 0.2 Allowed 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 124.882 3.721 . . . . 0.0 115.999 167.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -75.34 98.65 3.89 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 122.172 0.987 . . . . 0.0 112.336 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.16 174.63 1.37 Allowed Glycine 0 CA--C 1.539 1.55 1 CA-C-N 106.014 -5.085 . . . . 0.0 115.64 160.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.478 ' NE2' HG23 ' A' ' 109' ' ' VAL . 33.4 p-80 -158.38 150.68 21.87 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.836 1.303 . . . . 0.0 112.942 169.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.18 161.2 13.99 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 119.885 -1.759 . . . . 0.0 113.649 -165.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -136.59 -11.28 1.84 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.555 1.142 . . . . 0.0 114.002 167.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.61 -8.69 0.56 Allowed 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 172.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -87.91 4.59 44.21 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.905 0.775 . . . . 0.0 112.715 175.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -54.04 163.18 0.81 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.012 2.125 . . . . 0.0 115.718 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.631 HD23 HG11 ' A' ' 63' ' ' VAL . 52.3 tp -110.1 126.93 54.55 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.802 1.641 . . . . 0.0 106.788 160.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -82.45 121.59 26.94 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 125.386 1.474 . . . . 0.0 110.311 166.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -93.43 -44.43 8.26 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.62 1.568 . . . . 0.0 110.505 170.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 15.1 m120 56.47 156.86 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.595 3.158 . . . . 0.0 116.557 -178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 6.2 t -154.94 22.73 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.413 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -172.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -65.52 132.04 29.81 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.537 2.825 . . . . 0.0 112.987 -163.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -160.17 142.61 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.241 1.417 . . . . 0.0 110.274 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -105.31 -4.28 21.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.253 1.421 . . . . 0.0 113.239 -176.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -139.69 55.25 1.66 Allowed 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 124.043 1.878 . . . . 0.0 110.254 166.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 119.064 -2.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.746 0.307 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.7 t -150.72 -19.54 0.22 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.785 1.634 . . . . 0.0 113.577 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.39 -165.66 24.93 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.974 1.273 . . . . 0.0 112.976 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.52 119.72 67.77 Favored Pre-proline 0 CA--C 1.548 0.887 0 O-C-N 121.045 -1.267 . . . . 0.0 111.832 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -83.36 163.97 14.81 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 123.208 2.605 . . . . 0.0 111.265 171.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -146.43 5.88 0.95 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 171.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.2 p -131.45 140.48 49.6 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.889 1.275 . . . . 0.0 110.574 173.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -39.62 79.88 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -168.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.32 -47.18 92.09 Favored Glycine 0 N--CA 1.476 1.307 0 CA-C-N 119.965 1.257 . . . . 0.0 114.923 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -62.23 -40.11 95.06 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 117.89 0.845 . . . . 0.0 111.483 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.48 -48.85 73.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.694 0.798 . . . . 0.0 112.337 173.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.1 -42.03 80.01 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.629 1.572 . . . . 0.0 112.651 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.67 -32.85 74.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.855 0.462 . . . . 0.0 112.143 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -69.56 -50.74 41.84 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.282 0.633 . . . . 0.0 110.755 169.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.01 -38.44 86.09 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.5 1.52 . . . . 0.0 113.748 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -61.63 -36.82 81.87 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.537 0.608 . . . . 0.0 111.075 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -70.97 -33.29 70.3 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.102 -0.951 . . . . 0.0 113.399 172.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -56.21 -40.07 73.46 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 120.249 1.386 . . . . 0.0 112.908 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.81 -42.11 98.6 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.133 0.879 . . . . 0.0 112.474 176.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -67.67 -41.09 84.3 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.481 1.037 . . . . 0.0 112.179 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -69.49 -15.65 63.3 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.54 1.936 . . . . 0.0 114.456 176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.01 -38.9 0.44 Allowed Glycine 0 CA--C 1.536 1.398 0 N-CA-C 115.897 1.119 . . . . 0.0 115.897 -164.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.8 p -99.89 167.73 10.33 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.822 1.311 . . . . 0.0 113.067 -172.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -74.78 -31.24 61.7 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.216 1.007 . . . . 0.0 112.711 173.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -154.41 115.88 4.12 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.313 2.245 . . . . 0.0 111.807 172.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.0 p -74.65 -17.64 60.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.57 -13.11 59.75 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -168.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -75.13 -17.22 60.46 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.213 1.005 . . . . 0.0 113.16 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.43 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 97.2 m-85 -79.5 152.03 30.44 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.706 1.202 . . . . 0.0 112.199 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -134.38 -38.74 0.84 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.472 1.109 . . . . 0.0 112.404 -168.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -144.7 172.46 12.96 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 166.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -143.6 155.84 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.971 1.708 . . . . 0.0 110.963 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.633 HG11 HD23 ' B' ' 20' ' ' LEU . 12.6 p -140.09 136.85 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.145 1.378 . . . . 0.0 109.957 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.6 mt -119.38 123.12 70.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 125.567 1.547 . . . . 0.0 107.604 -164.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.38 114.81 27.14 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 123.998 0.919 . . . . 0.0 109.595 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.9 p -101.8 168.54 9.38 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.46 0.648 . . . . 0.0 111.163 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -56.24 165.05 1.12 Allowed 'General case' 0 CA--C 1.551 1.008 0 O-C-N 121.332 -0.855 . . . . 0.0 110.15 160.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 62.33 32.72 16.86 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.382 1.073 . . . . 0.0 113.107 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt 53.7 23.92 3.98 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 128.206 2.602 . . . . 0.0 116.142 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.12 138.69 48.61 Favored Glycine 0 CA--C 1.534 1.274 0 O-C-N 121.453 -0.779 . . . . 0.0 112.302 169.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -145.27 120.74 10.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.338 2.255 . . . . 0.0 107.128 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -139.24 142.36 37.82 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.881 1.272 . . . . 0.0 109.093 -176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.1 t -134.92 138.14 43.8 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.884 1.22 . . . . 0.0 112.064 -175.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.3 t -143.01 121.19 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.703 1.201 . . . . 0.0 110.549 -168.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -68.92 127.29 32.57 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.669 0.747 . . . . 0.0 111.003 167.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 55.5 mt -78.43 -23.51 46.61 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.191 1.796 . . . . 0.0 112.089 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -56.08 -19.81 14.62 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.696 1.598 . . . . 0.0 114.108 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 71.9 p -137.76 157.59 73.17 Favored Pre-proline 0 C--O 1.24 0.57 0 C-N-CA 125.766 1.626 . . . . 0.0 109.965 -175.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.86 145.2 73.79 Favored 'Trans proline' 0 C--O 1.237 0.469 0 C-N-CA 122.505 2.136 . . . . 0.0 110.649 170.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.7 tp -55.08 132.31 47.02 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.334 1.053 . . . . 0.0 111.335 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.82 143.06 56.9 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -62.31 -26.3 68.35 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 -167.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -73.55 -39.0 65.05 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.011 -1.056 . . . . 0.0 112.111 170.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -69.45 -29.64 67.38 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.204 1.402 . . . . 0.0 111.337 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -56.71 -22.87 38.29 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.761 0.824 . . . . 0.0 113.029 169.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -124.17 22.34 8.67 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.359 1.464 . . . . 0.0 112.461 -166.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 p -96.67 136.1 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.589 0.756 . . . . 0.0 110.863 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -67.39 146.74 53.74 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.767 1.227 . . . . 0.0 112.847 176.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.88 146.02 26.35 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.151 1.38 . . . . 0.0 111.499 174.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.6 mt -76.77 -23.32 52.95 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.309 1.444 . . . . 0.0 114.811 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.26 -177.02 37.37 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.412 1.006 . . . . 0.0 111.921 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -60.94 147.0 44.8 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.043 1.337 . . . . 0.0 112.727 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 ttt -67.01 62.72 0.05 Allowed 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 127.803 2.441 . . . . 0.0 113.717 -178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.433 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 9.0 t80 -56.27 -46.99 79.45 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.003 -1.06 . . . . 0.0 112.15 -175.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.433 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 29.1 pttt -160.28 166.77 28.9 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 166.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.7 m -134.08 148.02 50.96 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.754 2.022 . . . . 0.0 109.633 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -123.63 151.5 42.96 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.7 1.6 . . . . 0.0 111.57 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -138.6 146.65 42.03 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 125.341 1.456 . . . . 0.0 111.345 -171.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.422 ' HE1' HG12 ' A' ' 63' ' ' VAL . 30.5 m-85 -133.68 131.93 40.07 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 125.125 1.37 . . . . 0.0 109.58 -167.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -72.08 166.27 22.61 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 172.263 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -47.01 97.3 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.517 1.927 . . . . 0.0 111.886 173.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.21 -3.79 47.88 Favored Glycine 0 CA--C 1.542 1.759 0 C-N-CA 125.779 1.657 . . . . 0.0 117.157 177.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -72.78 163.58 27.89 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.917 1.859 . . . . 0.0 113.982 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.0 p -144.26 11.57 1.53 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.26 1.824 . . . . 0.0 114.338 173.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -143.32 134.68 26.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.621 1.968 . . . . 0.0 106.968 160.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.7 p -59.59 163.98 3.86 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -166.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.8 t -126.76 -16.86 5.11 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 169.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -131.95 143.58 50.21 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.299 1.04 . . . . 0.0 109.962 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.44 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -151.03 152.38 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.723 0 C-N-CA 125.147 1.379 . . . . 0.0 111.461 -176.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.9 mt -143.02 136.22 25.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -166.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -103.38 161.05 14.17 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.075 1.35 . . . . 0.0 111.013 -174.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -161.94 -161.15 11.59 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 119.727 -0.485 . . . . 0.0 113.65 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -61.82 135.34 55.37 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.511 2.141 . . . . 0.0 109.808 172.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.74 161.49 11.16 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 127.863 2.649 . . . . 0.0 110.209 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -139.3 -9.26 1.28 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -173.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t -166.04 149.88 7.79 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.8 1.24 . . . . 0.0 110.12 173.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -71.69 -27.66 63.19 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.512 -0.742 . . . . 0.0 112.115 169.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -78.87 71.79 5.35 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.847 1.659 . . . . 0.0 113.409 -173.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 45.71 49.56 11.23 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.774 1.629 . . . . 0.0 115.234 171.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 43.82 45.62 6.26 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.828 2.051 . . . . 0.0 116.026 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 61.6 t80 . . . . . 0 C--O 1.251 1.172 0 C-N-CA 124.098 0.959 . . . . 0.0 112.955 165.548 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.0 t -161.81 146.9 13.17 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.558 1.143 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.496 ' H ' ' CD ' ' B' ' 9' ' ' PRO . 11.5 t -162.24 -38.08 0.0 OUTLIER Pre-proline 0 N--CA 1.481 1.103 0 N-CA-C 117.457 2.391 . . . . 0.0 117.457 -178.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.496 ' CD ' ' H ' ' B' ' 8' ' ' THR . 3.4 Cg_endo -85.76 12.71 2.96 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 123.351 2.7 . . . . 0.0 114.716 -164.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 63.6 94.16 0.05 Allowed 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 129.266 3.026 . . . . 0.0 110.926 -168.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.82 170.29 34.0 Favored Glycine 0 CA--C 1.537 1.454 0 CA-C-N 109.862 -3.335 . . . . 0.0 112.781 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.44 ' NE2' HG13 ' A' ' 109' ' ' VAL . 46.9 p-80 -151.19 147.13 26.65 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.506 1.153 . . . . 0.0 113.927 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.42 163.33 14.71 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.196 -1.565 . . . . 0.0 115.043 -168.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -135.9 27.21 3.28 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.08 1.752 . . . . 0.0 112.249 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -169.72 -38.29 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.388 1.475 . . . . 0.0 114.272 -174.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -67.84 -27.96 67.15 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.708 0.803 . . . . 0.0 112.67 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.5 t -42.35 144.06 0.55 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.929 2.092 . . . . 0.0 116.463 -163.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.633 HD23 HG11 ' A' ' 63' ' ' VAL . 53.4 tp -95.55 125.63 40.29 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.621 1.168 . . . . 0.0 108.667 165.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.7 119.99 23.39 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.883 2.473 . . . . 0.0 111.605 166.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mp -95.42 31.64 1.94 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.155 2.582 . . . . 0.0 111.367 169.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -150.26 133.54 16.36 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.997 1.319 . . . . 0.0 110.569 173.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.587 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 5.2 t -161.84 -26.53 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.169 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 -167.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.587 ' CD ' ' H ' ' B' ' 24' ' ' THR . 63.7 Cg_endo -82.42 82.8 2.16 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 123.295 2.664 . . . . 0.0 113.392 -169.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 p -155.93 148.87 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 126.331 1.852 . . . . 0.0 109.643 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -117.95 -17.65 9.67 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.324 1.049 . . . . 0.0 112.682 175.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -150.63 102.35 3.01 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.009 2.123 . . . . 0.0 109.752 169.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.427 0 O-C-N 119.46 -2.025 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -166.22 172.43 11.18 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.791 1.637 . . . . 0.0 111.13 -174.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.1 -162.93 13.9 Favored Glycine 0 CA--C 1.532 1.114 0 C-N-CA 124.414 1.007 . . . . 0.0 113.694 -173.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.8 mt -128.58 153.13 79.44 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 125.707 1.603 . . . . 0.0 110.508 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -74.15 166.35 29.78 Favored 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 122.116 1.877 . . . . 0.0 110.435 166.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.3 t -151.96 4.33 0.4 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -175.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 62.4 p -138.08 125.89 22.46 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.904 1.229 . . . . 0.0 111.608 165.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -38.52 63.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.793 0.837 . . . . 0.0 112.551 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.94 -36.46 51.01 Favored Glycine 0 CA--C 1.54 1.617 0 N-CA-C 116.112 1.205 . . . . 0.0 116.112 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -69.22 -31.25 69.7 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 118.826 1.313 . . . . 0.0 112.546 176.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.1 tt -84.66 -44.72 13.17 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.503 1.521 . . . . 0.0 111.715 179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.57 -42.7 67.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.578 1.551 . . . . 0.0 112.582 173.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -65.73 -33.56 76.15 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.85 -0.531 . . . . 0.0 111.233 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -72.98 -41.85 63.91 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.635 -0.666 . . . . 0.0 111.319 172.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.6 mt -62.51 -38.13 88.73 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 120.085 1.311 . . . . 0.0 113.721 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -61.05 -23.59 65.56 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.586 1.154 . . . . 0.0 111.891 169.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -87.3 -33.71 19.13 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 169.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -54.03 -44.84 71.33 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 121.293 1.861 . . . . 0.0 114.021 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.82 -43.37 98.98 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 121.502 -0.748 . . . . 0.0 112.009 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -66.5 -39.33 88.65 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.52 1.054 . . . . 0.0 112.345 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -64.5 -31.02 72.06 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.188 1.795 . . . . 0.0 113.479 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -126.23 -28.54 1.0 Allowed Glycine 0 CA--C 1.536 1.357 0 N-CA-C 117.06 1.584 . . . . 0.0 117.06 -160.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.493 HG22 ' CE1' ' A' ' 108' ' ' TYR . 43.8 p -86.42 172.46 10.36 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.783 1.791 . . . . 0.0 111.497 177.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -80.34 -28.23 38.17 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.811 -0.556 . . . . 0.0 112.454 167.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -152.9 118.12 5.2 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.414 1.886 . . . . 0.0 112.061 171.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.1 t -81.19 -18.51 45.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.08 1.352 . . . . 0.0 114.184 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.79 -8.43 48.15 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -171.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -87.2 -16.01 36.57 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.939 -1.101 . . . . 0.0 113.716 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 99.3 m-85 -83.34 146.23 28.61 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.397 0.999 . . . . 0.0 112.183 -173.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -115.15 -28.03 7.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.784 0.833 . . . . 0.0 113.058 -173.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -160.81 175.25 12.78 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.824 1.65 . . . . 0.0 112.06 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -154.37 159.82 41.35 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 126.217 1.807 . . . . 0.0 112.621 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.652 HG11 HD23 ' B' ' 20' ' ' LEU . 9.3 p -148.48 148.95 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 124.873 1.269 . . . . 0.0 110.074 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.6 mt -130.61 136.36 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 125.845 1.658 . . . . 0.0 108.829 -166.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.7 mt -118.35 129.17 55.28 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.651 1.58 . . . . 0.0 108.584 172.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p -121.17 164.99 16.03 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 122.479 1.133 . . . . 0.0 112.585 -173.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.64 163.98 3.92 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.583 160.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 52.65 31.98 11.11 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.263 1.425 . . . . 0.0 113.935 -166.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 60.03 28.67 18.23 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.822 2.449 . . . . 0.0 115.398 168.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.06 155.42 42.39 Favored Glycine 0 CA--C 1.538 1.475 0 N-CA-C 114.503 0.561 . . . . 0.0 114.503 174.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -142.26 134.38 27.49 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.72 2.408 . . . . 0.0 108.351 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -144.53 141.76 29.73 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.134 0.974 . . . . 0.0 110.529 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 t -135.03 132.05 37.8 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.687 1.195 . . . . 0.0 110.028 -172.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.4 t -145.86 140.87 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.509 1.124 . . . . 0.0 110.383 -171.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -89.73 149.13 22.88 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 122.08 0.943 . . . . 0.0 112.794 175.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.56 -18.2 13.79 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 127.388 2.275 . . . . 0.0 111.868 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -58.57 -15.67 12.42 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.315 1.046 . . . . 0.0 113.504 164.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -142.42 147.55 43.66 Favored Pre-proline 0 C--O 1.239 0.523 0 C-N-CA 125.526 1.53 . . . . 0.0 110.415 -171.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.81 133.23 40.86 Favored 'Trans proline' 0 CA--C 1.537 0.632 0 C-N-CA 122.741 2.294 . . . . 0.0 109.857 159.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -72.68 145.39 47.25 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 118.434 0.561 . . . . 0.0 112.256 175.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.1 160.1 32.67 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -61.87 -31.3 71.56 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -171.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -69.12 -37.74 78.5 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.75 1.614 . . . . 0.0 111.213 171.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -69.65 -29.39 66.84 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.187 1.395 . . . . 0.0 111.181 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.5 mttm -63.25 -21.69 66.4 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 167.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -120.58 1.86 10.64 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.517 1.127 . . . . 0.0 113.889 -167.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.31 142.19 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 119.13 0.877 . . . . 0.0 111.934 -178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -61.19 151.98 30.01 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -176.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.9 mt -117.83 119.13 33.95 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 126.262 1.825 . . . . 0.0 110.747 175.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.51 -28.51 70.0 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -175.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.93 -172.95 38.36 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 119.18 0.9 . . . . 0.0 114.013 -177.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -67.27 149.97 49.68 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.459 1.504 . . . . 0.0 112.091 -178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 38.5 ttp -74.01 66.38 1.19 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.485 1.914 . . . . 0.0 114.653 -173.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -47.84 -55.32 10.02 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.885 1.274 . . . . 0.0 114.332 179.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -150.25 154.58 38.17 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.621 1.101 . . . . 0.0 112.468 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 m -140.99 149.75 42.18 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.49 1.116 . . . . 0.0 110.218 -175.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -135.96 148.75 48.62 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.35 1.06 . . . . 0.0 111.309 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -143.66 147.97 35.1 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 125.362 1.465 . . . . 0.0 111.795 -170.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -138.55 135.36 34.97 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.677 1.191 . . . . 0.0 110.115 -162.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 31.8 mttt -75.17 168.06 20.71 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -59.43 74.69 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 128.721 2.808 . . . . 0.0 114.444 175.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.36 26.62 0.73 Allowed Glycine 0 CA--C 1.535 1.322 0 C-N-CA 126.528 2.013 . . . . 0.0 114.008 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -139.11 143.39 38.23 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.538 1.669 . . . . 0.0 112.442 -169.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.9 m -139.55 28.88 2.18 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.41 1.084 . . . . 0.0 112.316 175.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -146.56 119.84 8.95 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 160.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 85.3 p -48.61 159.41 0.23 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -160.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 t -124.24 -14.44 6.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.876 1.271 . . . . 0.0 112.586 168.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.493 ' CE1' HG22 ' A' ' 53' ' ' THR . 38.1 t80 -136.52 136.13 39.11 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.618 1.167 . . . . 0.0 108.65 177.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.473 HG23 ' NE2' ' B' ' 13' ' ' HIS . 20.1 m -140.68 160.04 24.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 124.631 1.172 . . . . 0.0 111.531 178.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.4 mt -141.99 133.79 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -165.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -98.96 111.6 23.95 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.41 -171.95 23.04 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.93 120.33 6.98 Favored 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.421 2.081 . . . . 0.0 109.384 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.7 135.52 2.99 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 126.807 2.146 . . . . 0.0 110.187 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -110.81 -21.63 11.96 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -166.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -165.11 167.6 18.08 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.023 1.729 . . . . 0.0 108.883 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -80.73 -17.62 50.42 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 120.961 -1.087 . . . . 0.0 113.455 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -50.63 -67.1 0.28 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 117.813 2.523 . . . . 0.0 117.813 -163.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -160.55 22.08 0.15 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 -163.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 48.29 33.05 3.48 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.878 2.071 . . . . 0.0 116.341 -176.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 38.3 t80 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 126.203 1.801 . . . . 0.0 112.259 -172.194 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.008 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -149.27 151.43 34.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.587 1.155 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 16.0 m -143.74 140.27 17.13 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 124.777 1.231 . . . . 0.0 109.301 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.73 169.76 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 123.451 2.767 . . . . 0.0 114.394 169.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -68.11 126.92 31.03 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 160.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.96 169.4 39.04 Favored Glycine 0 CA--C 1.534 1.28 0 CA-C-N 110.635 -2.984 . . . . 0.0 113.68 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.473 ' NE2' HG23 ' A' ' 109' ' ' VAL . 36.1 p-80 -155.57 154.72 32.13 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 122.25 1.024 . . . . 0.0 112.21 178.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.37 151.05 26.02 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.427 -1.42 . . . . 0.0 113.03 -171.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -147.27 35.68 0.9 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.327 0.651 . . . . 0.0 112.427 165.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -160.27 -27.63 0.06 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.598 1.703 . . . . 0.0 115.598 -174.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.77 -23.19 21.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.964 0.906 . . . . 0.0 112.002 -179.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.7 t -39.49 134.79 1.2 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 117.597 2.443 . . . . 0.0 117.597 -160.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.652 HD23 HG11 ' A' ' 63' ' ' VAL . 47.2 tp -92.83 141.47 28.4 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.161 1.785 . . . . 0.0 107.636 166.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.58 142.09 35.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.69 1.196 . . . . 0.0 112.177 173.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.4 mp -125.15 -1.82 7.67 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 128.382 2.673 . . . . 0.0 114.124 -168.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -53.4 -48.79 68.38 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -160.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 12.3 t 31.94 51.86 0.68 Allowed Pre-proline 0 N--CA 1.485 1.321 0 C-N-CA 125.963 1.705 . . . . 0.0 115.041 -171.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.46 159.27 46.72 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.697 2.931 . . . . 0.0 111.973 -166.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 6.3 p -146.92 138.58 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 124.055 0.942 . . . . 0.0 110.748 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -92.28 -3.72 55.04 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -176.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -151.22 111.07 4.06 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.364 1.866 . . . . 0.0 109.875 165.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 120.895 -1.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -163.35 -36.14 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.7 29.95 22.51 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 115.847 1.099 . . . . 0.0 115.847 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.5 mt -62.02 124.07 80.4 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 119.713 1.757 . . . . 0.0 112.236 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -74.31 155.83 46.26 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 123.056 2.504 . . . . 0.0 115.413 -169.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -160.18 48.08 0.26 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 127.074 2.15 . . . . 0.0 109.235 160.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.4 p -133.26 158.32 43.21 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.872 0.869 . . . . 0.0 112.323 -171.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.5 mt -51.74 -32.42 30.52 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-O 117.71 -1.138 . . . . 0.0 113.57 174.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.9 -37.1 52.34 Favored Glycine 0 CA--C 1.538 1.47 0 CA-C-N 120.39 1.45 . . . . 0.0 114.449 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 mmtt -86.02 -38.46 17.86 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.846 1.323 . . . . 0.0 114.33 175.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tt -61.08 -39.5 90.14 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -59.32 -43.05 92.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.323 1.849 . . . . 0.0 113.009 171.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.63 -40.19 91.01 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.025 0.53 . . . . 0.0 111.013 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -64.67 -47.96 76.49 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 124.849 1.26 . . . . 0.0 112.417 171.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -66.29 -38.15 87.09 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.57 1.077 . . . . 0.0 113.372 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.2 mtt-85 -61.25 -35.62 77.75 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.01 0.924 . . . . 0.0 110.74 171.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -70.56 -41.48 72.38 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 169.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -54.23 -31.23 52.76 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 175.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.5 mt -66.51 -53.58 33.5 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 119.25 0.932 . . . . 0.0 112.517 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -63.09 -40.22 97.01 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.825 0.739 . . . . 0.0 112.072 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -77.87 -11.97 59.94 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.558 2.343 . . . . 0.0 115.215 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -135.41 -10.52 1.45 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 116.151 1.22 . . . . 0.0 116.151 -168.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.0 p -114.45 154.96 27.24 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.138 1.469 . . . . 0.0 111.414 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -65.39 -30.17 70.96 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.672 -0.643 . . . . 0.0 111.879 173.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -149.38 111.26 4.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.373 1.469 . . . . 0.0 112.035 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.7 t -70.69 -27.78 64.27 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.251 1.42 . . . . 0.0 114.219 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.8 -7.46 27.89 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -170.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -84.76 -15.69 44.16 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.824 -1.172 . . . . 0.0 112.872 175.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 89.4 m-85 -85.97 152.06 23.24 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.266 0.939 . . . . 0.0 113.176 -173.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -135.94 -36.73 0.75 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.893 1.277 . . . . 0.0 112.607 -166.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -149.07 172.37 14.88 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.993 0.917 . . . . 0.0 112.405 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -149.93 155.56 40.2 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 125.701 1.6 . . . . 0.0 111.47 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.01 133.52 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 125.948 1.699 . . . . 0.0 109.094 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.3 mt -124.2 132.29 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 C-N-CA 125.168 1.387 . . . . 0.0 107.72 -162.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.2 mt -122.25 101.64 7.64 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.486 1.115 . . . . 0.0 109.131 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -90.5 174.03 7.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.112 0.965 . . . . 0.0 112.556 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -51.18 162.76 0.28 Allowed 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.813 -1.179 . . . . 0.0 110.44 160.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 61.12 34.8 18.88 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.321 1.048 . . . . 0.0 112.856 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 53.89 24.81 4.79 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 127.665 2.386 . . . . 0.0 114.341 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.78 83.33 0.16 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 124.593 1.092 . . . . 0.0 112.815 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -77.12 134.91 38.57 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 162.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -143.31 149.02 37.23 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.634 1.574 . . . . 0.0 109.941 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 t -134.97 136.65 42.38 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.786 0.721 . . . . 0.0 111.901 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.5 t -144.19 134.04 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.96 1.304 . . . . 0.0 110.66 -166.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -95.01 113.79 25.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 122.228 1.013 . . . . 0.0 111.191 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.5 mt -66.67 -16.63 64.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.194 1.798 . . . . 0.0 111.987 170.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -63.32 -13.45 39.05 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.445 1.498 . . . . 0.0 114.623 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 64.6 p -146.26 158.82 47.11 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 125.053 1.341 . . . . 0.0 111.53 -172.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.27 154.83 17.52 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 124.314 3.343 . . . . 0.0 113.956 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -59.28 124.64 20.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.385 1.074 . . . . 0.0 112.26 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.29 133.78 49.31 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.678 1.191 . . . . 0.0 112.62 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.45 -23.59 62.82 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 176.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -67.45 -38.81 85.06 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.885 -1.134 . . . . 0.0 111.264 173.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -72.32 -24.08 61.26 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.319 -0.863 . . . . 0.0 112.609 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -64.4 -8.64 14.03 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.585 1.154 . . . . 0.0 113.945 166.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -132.81 -11.16 3.04 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -171.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.09 128.85 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.125 1.37 . . . . 0.0 111.54 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -74.57 136.89 42.08 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.318 -0.864 . . . . 0.0 112.671 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -70.72 106.31 3.5 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.504 1.521 . . . . 0.0 112.095 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.4 mt -56.62 -28.12 59.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.51 1.524 . . . . 0.0 114.961 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -172.84 179.86 44.03 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.255 0.931 . . . . 0.0 113.475 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -70.43 152.56 43.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.997 0.919 . . . . 0.0 113.2 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 36.4 ttp -72.7 60.79 0.51 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 128.042 2.537 . . . . 0.0 115.063 -169.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -53.42 -45.92 69.57 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -151.38 149.24 29.08 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.504 -0.747 . . . . 0.0 111.609 -177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.0 m -138.24 150.9 47.15 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.295 1.038 . . . . 0.0 110.303 169.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.413 ' CD2' ' CG1' ' A' ' 109' ' ' VAL . 3.9 m-85 -132.88 151.26 52.06 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.334 1.854 . . . . 0.0 111.056 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -143.14 143.48 31.83 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.207 1.403 . . . . 0.0 112.797 -165.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -126.88 134.44 50.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.026 1.33 . . . . 0.0 111.651 -169.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 28.3 mttt -70.48 163.28 27.14 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.399 0.68 . . . . 0.0 112.725 173.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -69.02 52.26 0.09 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 127.999 2.52 . . . . 0.0 114.249 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.33 41.23 0.02 OUTLIER Glycine 0 CA--C 1.527 0.821 0 C-N-CA 126.893 2.187 . . . . 0.0 110.856 -173.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -152.18 149.96 29.32 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.02 0.91 . . . . 0.0 112.801 -167.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.8 m -139.54 12.89 2.54 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.579 2.351 . . . . 0.0 111.987 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -139.49 116.46 10.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.515 1.526 . . . . 0.0 109.313 166.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.75 118.63 10.56 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -161.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.2 t -77.86 -23.76 48.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.447 1.499 . . . . 0.0 114.955 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.433 ' CE2' HD11 ' A' ' 110' ' ' ILE . 64.7 t80 -124.47 145.16 49.68 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.641 0.777 . . . . 0.0 110.125 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.608 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -152.42 155.59 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.584 1.554 . . . . 0.0 111.606 -170.155 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.433 HD11 ' CE2' ' A' ' 108' ' ' TYR . 5.1 mt -145.25 145.89 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 O-C-N 121.284 -0.885 . . . . 0.0 109.868 -169.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -107.62 144.37 34.76 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.572 1.149 . . . . 0.0 111.296 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.16 -177.67 28.67 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 116.505 -0.316 . . . . 0.0 113.133 174.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.82 138.53 34.63 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.122 2.548 . . . . 0.0 111.379 -177.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 162.05 -19.73 0.18 Allowed Glycine 0 CA--C 1.536 1.379 0 C-N-CA 126.643 2.068 . . . . 0.0 114.197 173.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm 56.12 -21.46 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 129.069 2.948 . . . . 0.0 117.828 -178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -168.94 152.96 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 126.272 1.829 . . . . 0.0 109.806 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -82.75 -22.53 34.33 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.742 -0.599 . . . . 0.0 111.794 167.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -81.55 98.49 8.33 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.832 -1.168 . . . . 0.0 112.349 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.0 t80 55.08 25.31 6.91 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 164.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 45.82 34.14 1.77 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.253 1.821 . . . . 0.0 114.107 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 6.2 t80 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 124.175 0.99 . . . . 0.0 112.572 -161.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.7 t -138.35 17.15 2.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.538 1.135 . . . . 0.0 114.043 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 18.2 p -136.38 156.86 76.32 Favored Pre-proline 0 N--CA 1.478 0.952 0 C-N-CA 125.327 1.451 . . . . 0.0 112.633 -173.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.58 104.57 0.12 Allowed 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 124.533 3.488 . . . . 0.0 115.79 -172.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.8 t70 75.34 -67.65 0.24 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 128.228 2.611 . . . . 0.0 114.82 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.58 170.83 0.42 Allowed Glycine 0 CA--C 1.535 1.335 1 CA-C-N 107.103 -4.59 . . . . 0.0 117.68 163.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.608 ' CD2' HG23 ' A' ' 109' ' ' VAL . 41.1 p-80 -149.68 156.51 42.01 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.906 2.082 . . . . 0.0 110.333 171.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -143.96 164.36 30.8 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.075 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -143.3 5.3 1.45 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.561 1.944 . . . . 0.0 113.098 -173.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -141.7 -26.15 0.68 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.963 1.705 . . . . 0.0 113.266 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -102.2 61.77 0.86 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.018 1.327 . . . . 0.0 110.711 165.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.5 t -115.18 161.38 18.5 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.952 2.501 . . . . 0.0 110.371 -176.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -103.72 101.54 11.37 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 171.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -90.3 102.08 14.8 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 126.57 1.948 . . . . 0.0 110.933 -177.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mp -68.68 6.62 0.8 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.821 2.448 . . . . 0.0 114.09 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -109.14 -37.63 5.74 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 116.511 2.041 . . . . 0.0 116.511 -166.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.474 ' H ' ' HD3' ' B' ' 25' ' ' PRO . 1.3 t -160.75 4.55 0.0 OUTLIER Pre-proline 0 N--CA 1.492 1.628 0 N-CA-C 120.642 3.571 . . . . 0.0 120.642 -159.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.474 ' HD3' ' H ' ' B' ' 24' ' ' THR . 45.3 Cg_endo -62.56 130.23 29.19 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.591 2.861 . . . . 0.0 114.533 -160.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 8.9 p -158.87 120.65 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.64 1.576 . . . . 0.0 109.349 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -127.85 -0.67 6.0 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.712 1.205 . . . . 0.0 114.232 -161.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -142.7 85.02 1.87 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.146 1.378 . . . . 0.0 110.808 174.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 O-C-N 120.994 -1.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -78.53 173.71 12.11 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.602 1.561 . . . . 0.0 114.697 -173.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.65 -35.35 0.05 OUTLIER Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.353 1.454 . . . . 0.0 113.695 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.0 mt -84.69 140.71 38.15 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 118.369 1.085 . . . . 0.0 110.608 169.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.73 139.99 31.62 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.578 2.185 . . . . 0.0 113.256 -169.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.3 t -150.12 42.89 0.86 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.833 1.253 . . . . 0.0 111.169 164.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.4 p -127.81 148.26 50.44 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.901 -1.124 . . . . 0.0 111.781 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -57.63 -35.38 70.41 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 117.633 -1.175 . . . . 0.0 113.624 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.74 -50.57 60.14 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 120.846 1.657 . . . . 0.0 112.913 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -73.96 -33.9 64.06 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.812 1.645 . . . . 0.0 112.435 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tp -71.81 -44.81 63.28 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.502 0.592 . . . . 0.0 112.045 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -58.7 -40.68 84.37 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.65 1.58 . . . . 0.0 112.156 176.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -64.46 -43.74 93.27 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.636 0.374 . . . . 0.0 110.392 176.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -65.79 -42.79 90.32 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.757 -0.639 . . . . 0.0 112.309 174.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.0 -37.94 82.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.175 1.39 . . . . 0.0 113.688 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -62.69 -33.08 74.35 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.71 170.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -71.72 -44.57 63.92 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 118.07 -0.966 . . . . 0.0 113.544 168.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.417 ' HA ' ' HE1' ' B' ' 11' ' ' TYS . 54.0 m-85 -55.44 -30.95 61.46 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.61 1.55 . . . . 0.0 112.456 174.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.38 -48.0 74.42 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 120.87 -1.144 . . . . 0.0 113.89 172.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -70.31 -43.3 70.62 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.78 0.718 . . . . 0.0 112.012 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -57.93 -37.14 73.56 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.782 1.233 . . . . 0.0 113.149 171.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.79 -2.73 25.38 Favored Glycine 0 CA--C 1.532 1.143 0 N-CA-C 116.507 1.363 . . . . 0.0 116.507 -160.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.9 p -122.14 158.94 28.22 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.332 1.566 . . . . 0.0 112.57 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -68.62 -29.2 67.65 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -157.53 100.98 1.82 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 127.475 2.31 . . . . 0.0 111.6 178.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 p -65.51 -21.56 66.63 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.7 -23.12 62.87 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.813 1.783 . . . . 0.0 115.813 -172.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -77.62 -14.31 59.67 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.491 1.116 . . . . 0.0 113.249 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -84.96 144.49 28.29 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.261 0.937 . . . . 0.0 113.111 -173.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -129.8 -30.91 2.0 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.114 1.366 . . . . 0.0 112.89 -165.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -151.35 175.04 12.62 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 122.234 1.016 . . . . 0.0 111.9 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -150.0 159.4 44.42 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.138 -1.847 . . . . 0.0 111.169 174.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.61 HG11 HD23 ' B' ' 20' ' ' LEU . 11.2 p -141.79 136.99 31.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 124.703 1.201 . . . . 0.0 109.555 175.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.4 mt -119.9 124.04 72.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.656 1.582 . . . . 0.0 107.589 -163.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -118.89 130.42 55.72 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.845 1.258 . . . . 0.0 110.166 -176.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.2 p -124.38 171.41 9.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.838 0.855 . . . . 0.0 112.078 -172.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -51.66 163.37 0.31 Allowed 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 120.875 0.369 . . . . 0.0 110.183 160.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.7 m-20 60.67 33.04 20.36 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.454 1.102 . . . . 0.0 113.051 175.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 53.85 31.01 12.38 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 128.125 2.57 . . . . 0.0 114.83 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.03 139.29 38.1 Favored Glycine 0 CA--C 1.537 1.412 0 O-C-N 121.781 -0.574 . . . . 0.0 112.876 167.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -148.97 123.8 9.93 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 128.371 2.669 . . . . 0.0 107.287 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -143.28 116.71 9.09 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.936 0.894 . . . . 0.0 109.753 -175.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.9 t -101.72 139.51 37.27 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 119.103 0.865 . . . . 0.0 111.55 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -142.9 119.53 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 126.366 1.867 . . . . 0.0 109.537 -167.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -77.11 138.02 39.27 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.02 0.914 . . . . 0.0 111.329 172.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.1 mt -95.94 -14.8 22.81 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.384 1.874 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -66.29 -8.97 28.33 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.064 1.346 . . . . 0.0 113.144 170.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.8 p -135.85 152.83 76.54 Favored Pre-proline 0 C--O 1.241 0.615 0 C-N-CA 126.29 1.836 . . . . 0.0 110.975 -169.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.83 153.01 78.11 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 123.43 2.753 . . . . 0.0 111.862 166.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -69.28 135.99 51.25 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.634 -0.666 . . . . 0.0 112.18 171.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.36 130.08 44.35 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.752 -0.593 . . . . 0.0 111.241 163.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.73 -21.84 63.38 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -167.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -66.89 -20.29 65.89 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.575 1.534 . . . . 0.0 112.71 178.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.43 -26.78 66.98 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.839 1.256 . . . . 0.0 112.185 169.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -70.02 -15.72 63.06 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.317 -0.864 . . . . 0.0 112.866 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -105.99 -24.36 12.43 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.9 p -67.36 115.52 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 119.734 1.152 . . . . 0.0 110.997 -175.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.12 133.06 42.8 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.446 -0.784 . . . . 0.0 109.942 168.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.58 150.68 48.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.978 1.311 . . . . 0.0 111.598 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.09 -27.58 68.17 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.936 0.894 . . . . 0.0 113.067 176.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.33 -173.97 35.26 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 124.455 1.026 . . . . 0.0 113.666 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -67.53 146.74 53.63 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.124 0.97 . . . . 0.0 111.158 174.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 52.3 ttp -60.21 112.73 2.03 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.462 1.105 . . . . 0.0 111.046 176.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -85.56 -55.36 4.03 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.328 0.513 . . . . 0.0 109.948 169.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -147.91 154.74 40.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.215 0.606 . . . . 0.0 112.583 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 21.0 m -125.1 142.74 51.3 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 124.378 1.071 . . . . 0.0 108.965 164.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -126.76 133.19 50.9 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.625 1.57 . . . . 0.0 108.284 -172.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -131.46 143.33 50.35 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.159 1.384 . . . . 0.0 111.71 -167.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -134.22 136.49 43.71 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.482 0.713 . . . . 0.0 111.265 -167.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -66.85 165.25 15.66 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.892 0.877 . . . . 0.0 112.62 173.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -51.85 110.85 0.51 Allowed 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.178 1.791 . . . . 0.0 110.536 170.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.0 -1.17 73.75 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 115.735 1.054 . . . . 0.0 115.735 -176.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -96.88 145.08 26.21 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.346 1.573 . . . . 0.0 112.15 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.3 m -138.62 30.59 2.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.439 1.496 . . . . 0.0 111.827 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -143.45 112.0 6.4 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.36 1.464 . . . . 0.0 108.339 160.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 96.5 p -57.8 106.46 0.36 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -163.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.0 t -67.73 -20.78 65.29 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 172.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -126.3 142.11 51.65 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.598 1.159 . . . . 0.0 110.41 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.483 HG23 ' NE2' ' B' ' 13' ' ' HIS . 1.7 m -147.83 154.72 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.748 1.619 . . . . 0.0 112.006 -176.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.4 mt -147.27 136.44 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 124.397 1.079 . . . . 0.0 108.317 -177.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -116.07 152.54 33.4 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.376 0.607 . . . . 0.0 110.883 -168.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -144.06 177.71 22.55 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.064 1.316 . . . . 0.0 113.162 -173.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -80.29 40.05 0.92 Allowed 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 124.109 3.206 . . . . 0.0 114.239 -167.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.5 -25.68 17.74 Favored Glycine 0 CA--C 1.533 1.161 0 O-C-N 120.208 -1.557 . . . . 0.0 114.582 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? 61.3 -27.09 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 127.59 2.356 . . . . 0.0 116.844 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -165.92 163.23 18.53 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.812 2.045 . . . . 0.0 109.709 -177.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -89.59 -17.91 27.58 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.493 -0.754 . . . . 0.0 113.027 165.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -86.02 76.11 9.86 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.31 1.444 . . . . 0.0 113.345 -164.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 12.2 t80 44.58 53.73 6.93 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.278 1.831 . . . . 0.0 115.184 168.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.46 64.66 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.397 1.879 . . . . 0.0 113.024 173.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 77.1 t80 . . . . . 0 C--O 1.253 1.25 0 C-N-CA 127.06 2.144 . . . . 0.0 111.273 170.575 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.8 t -134.42 15.86 3.73 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.708 1.203 . . . . 0.0 113.061 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.606 ' H ' ' CD ' ' B' ' 9' ' ' PRO . 2.8 t -155.63 -16.75 0.0 OUTLIER Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 -176.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.606 ' CD ' ' H ' ' B' ' 8' ' ' THR . 88.2 Cg_endo -79.42 88.57 1.43 Allowed 'Trans proline' 0 C--N 1.355 0.875 0 CA-C-N 124.039 2.478 . . . . 0.0 112.875 -170.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -137.16 69.95 1.4 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 128.087 2.555 . . . . 0.0 106.292 162.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . 0.417 ' HE1' ' HA ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.39 167.77 1.4 Allowed Glycine 0 CA--C 1.528 0.862 1 CA-C-N 105.967 -5.106 . . . . 0.0 116.96 160.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.483 ' NE2' HG23 ' A' ' 109' ' ' VAL . 37.6 p-80 -154.76 149.78 26.85 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 122.307 1.051 . . . . 0.0 111.653 167.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . 0.435 ' H ' ' HD1' ' B' ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -145.77 167.83 22.22 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.11 -1.619 . . . . 0.0 110.472 -176.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -131.56 -19.12 2.73 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.842 1.257 . . . . 0.0 113.79 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.32 -19.43 8.28 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -176.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -97.35 2.29 50.41 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.628 0.771 . . . . 0.0 112.638 179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 t -52.86 159.35 1.15 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.713 2.405 . . . . 0.0 115.207 176.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.61 HD23 HG11 ' A' ' 63' ' ' VAL . 52.7 tp -100.94 120.53 40.3 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.529 -1.285 . . . . 0.0 107.529 160.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -95.75 85.9 4.25 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.57 2.348 . . . . 0.0 111.296 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mp -62.34 -54.27 42.85 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.92 2.088 . . . . 0.0 112.672 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 27.15 6.16 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.344 2 C-N-CA 133.607 4.763 . . . . 0.0 122.163 -173.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.499 ' H ' ' HD2' ' B' ' 25' ' ' PRO . 9.0 t -135.46 -25.65 0.02 OUTLIER Pre-proline 0 N--CA 1.479 1.018 0 N-CA-C 117.705 2.484 . . . . 0.0 117.705 177.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.499 ' HD2' ' H ' ' B' ' 24' ' ' THR . 89.5 Cg_endo -80.47 127.88 6.74 Favored 'Trans proline' 0 C--N 1.353 0.764 0 CA-C-N 123.412 2.254 . . . . 0.0 109.799 168.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -154.81 134.0 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.969 -1.082 . . . . 0.0 112.433 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -145.23 -26.64 0.47 Allowed 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.501 1.296 . . . . 0.0 114.501 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -163.92 165.62 22.52 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.087 1.355 . . . . 0.0 112.159 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 O-C-N 120.838 -1.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 118.49 -0.767 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.7 m -145.46 14.65 1.43 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.407 1.483 . . . . 0.0 114.388 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -159.42 101.13 0.2 Allowed Glycine 0 N--CA 1.47 0.953 0 O-C-N 120.903 -1.123 . . . . 0.0 113.861 -171.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.0 mt -145.11 161.17 43.46 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 126.311 1.845 . . . . 0.0 112.034 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -73.28 -161.88 0.12 Allowed 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 123.415 2.743 . . . . 0.0 109.989 152.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.7 t -152.52 -29.65 0.15 Allowed 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 175.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.0 p -139.95 135.04 32.39 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.96 1.255 . . . . 0.0 113.258 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.18 -36.45 75.35 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.552 1.141 . . . . 0.0 112.832 -171.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.28 -35.93 44.13 Favored Glycine 0 CA--C 1.54 1.614 0 CA-C-N 119.296 0.953 . . . . 0.0 115.078 177.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -71.27 -43.74 66.59 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.342 1.071 . . . . 0.0 111.982 176.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -65.93 -39.77 90.79 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.194 0.998 . . . . 0.0 112.534 175.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -56.02 -39.03 71.32 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.333 1.453 . . . . 0.0 112.508 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.88 -42.47 94.79 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.961 -0.462 . . . . 0.0 111.995 173.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -61.23 -48.04 83.33 Favored 'General case' 0 C--O 1.222 -0.358 0 O-C-N 121.687 -0.633 . . . . 0.0 111.134 172.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -69.94 -34.64 73.69 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.877 -1.14 . . . . 0.0 113.95 -175.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.4 mtt-85 -66.4 -30.03 70.32 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.069 0.85 . . . . 0.0 112.004 168.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -70.3 -45.77 65.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.741 -0.647 . . . . 0.0 112.67 166.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -55.26 -40.68 71.24 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.781 1.173 . . . . 0.0 113.437 -176.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.99 -42.78 89.37 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.955 1.252 . . . . 0.0 113.037 173.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -68.84 -43.73 74.9 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 120.46 1.482 . . . . 0.0 112.287 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -65.89 -21.36 66.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.835 1.654 . . . . 0.0 113.809 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.05 -41.52 0.55 Allowed Glycine 0 CA--C 1.537 1.436 0 N-CA-C 116.548 1.379 . . . . 0.0 116.548 -163.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.4 p -88.71 159.04 17.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.075 1.437 . . . . 0.0 111.598 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -71.08 -33.23 70.03 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.375 -0.828 . . . . 0.0 112.324 172.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -148.64 117.56 6.72 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.604 1.562 . . . . 0.0 112.161 168.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 61.9 p -72.78 -26.3 61.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.822 1.649 . . . . 0.0 114.554 175.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.03 5.31 3.44 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.629 1.714 . . . . 0.0 115.629 -168.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -97.01 -19.53 18.69 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.575 -1.328 . . . . 0.0 112.294 170.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 96.4 m-85 -76.4 149.85 36.86 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.977 0.911 . . . . 0.0 111.259 179.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -121.68 -30.52 4.16 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -174.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 pttm -155.86 168.18 28.02 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.458 1.503 . . . . 0.0 111.196 -176.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -136.78 155.32 49.98 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 126.78 2.032 . . . . 0.0 110.625 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.616 HG11 HD23 ' B' ' 20' ' ' LEU . 14.5 p -138.06 125.94 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 124.51 1.124 . . . . 0.0 110.179 172.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.3 mp -106.18 135.42 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 125.557 1.543 . . . . 0.0 108.97 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.6 mt -116.68 125.64 52.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.288 1.435 . . . . 0.0 108.802 173.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.2 p -118.38 172.38 7.5 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.228 0.611 . . . . 0.0 112.042 -170.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.16 169.26 0.18 Allowed 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.596 -0.69 . . . . 0.0 111.106 160.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 53.87 31.39 13.13 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.44 1.096 . . . . 0.0 112.85 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.6 mttt 66.85 17.09 10.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.358 2.263 . . . . 0.0 114.775 169.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.92 150.81 50.86 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 123.478 0.561 . . . . 0.0 114.163 -178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -148.95 130.77 15.12 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.324 2.25 . . . . 0.0 108.561 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -146.53 120.86 9.6 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.781 -1.104 . . . . 0.0 110.89 -173.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.8 t -113.22 134.88 54.37 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 119.963 1.256 . . . . 0.0 112.623 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.7 t -145.36 125.29 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 125.266 1.426 . . . . 0.0 110.76 -170.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -71.52 140.58 49.97 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.513 -0.742 . . . . 0.0 111.98 170.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.0 mt -103.55 -15.92 15.69 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.44 1.896 . . . . 0.0 113.61 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -70.58 -2.14 13.28 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 171.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 p -138.24 152.9 72.5 Favored Pre-proline 0 C--O 1.24 0.591 0 C-N-CA 127.878 2.471 . . . . 0.0 109.272 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -59.32 150.01 77.37 Favored 'Trans proline' 0 CA--C 1.535 0.558 0 C-N-CA 122.715 2.277 . . . . 0.0 110.89 161.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -70.45 143.74 51.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.631 -0.668 . . . . 0.0 111.312 171.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.06 155.25 24.53 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -50.25 -33.98 21.52 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -69.92 -39.32 76.23 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.81 -1.181 . . . . 0.0 111.665 174.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -78.66 -25.58 44.93 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.771 1.629 . . . . 0.0 113.306 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -54.94 -22.83 16.33 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.79 0.836 . . . . 0.0 112.096 166.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -127.89 13.55 6.83 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.402 1.881 . . . . 0.0 113.445 -168.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -76.61 139.12 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.992 -1.068 . . . . 0.0 110.483 176.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -72.92 149.01 43.79 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.921 0.888 . . . . 0.0 112.684 -169.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.2 mt -105.25 117.7 34.67 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.004 1.322 . . . . 0.0 112.244 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.82 -31.46 72.44 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.871 1.668 . . . . 0.0 114.0 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -157.91 169.55 34.66 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.419 1.009 . . . . 0.0 114.755 -172.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -59.27 153.22 19.09 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.868 1.667 . . . . 0.0 111.926 166.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 33.1 ttp -74.87 69.77 1.89 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.882 1.673 . . . . 0.0 113.085 -172.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -58.64 -42.2 87.79 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -159.25 153.24 23.38 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.043 -1.036 . . . . 0.0 113.095 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.8 m -135.7 150.14 49.46 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.665 1.186 . . . . 0.0 111.02 172.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -128.4 146.94 50.64 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.283 1.833 . . . . 0.0 110.881 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -139.02 145.29 39.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.243 1.417 . . . . 0.0 111.949 -173.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.42 ' HE1' HG12 ' A' ' 63' ' ' VAL . 21.1 m-85 -126.58 135.35 51.13 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.473 1.109 . . . . 0.0 110.748 -164.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 36.5 mttt -73.21 154.18 40.35 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.834 0.743 . . . . 0.0 111.611 171.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -53.33 111.4 0.69 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.84 1.256 . . . . 0.0 113.219 -173.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.82 -15.95 47.81 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 126.66 2.076 . . . . 0.0 115.569 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.41 163.22 21.81 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.353 1.576 . . . . 0.0 113.32 -173.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.601 ' HB2' HD22 ' B' ' 23' ' ' ASN . 83.8 p -135.84 21.47 3.3 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 175.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -139.43 136.78 35.0 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.54 1.936 . . . . 0.0 107.559 164.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.5 p -66.84 160.01 26.95 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -171.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 t -125.04 -17.65 5.7 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.365 1.466 . . . . 0.0 112.437 173.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -128.64 146.97 50.71 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.602 0.761 . . . . 0.0 109.998 172.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.468 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -154.54 146.55 13.61 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 C-N-CA 124.843 1.257 . . . . 0.0 111.518 -170.815 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.3 mt -143.97 110.3 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 -166.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -76.65 149.85 36.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.926 0.89 . . . . 0.0 108.98 174.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.66 -173.95 26.74 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 114.567 0.587 . . . . 0.0 114.567 -175.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -68.35 125.39 12.83 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.267 2.645 . . . . 0.0 112.169 -174.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.98 -19.94 0.14 Allowed Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.63 1.11 . . . . 0.0 115.632 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 83.6 tttt 62.3 -35.04 0.12 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 129.247 3.019 . . . . 0.0 116.416 -174.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.6 t -162.91 155.73 19.17 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.242 1.817 . . . . 0.0 109.274 -170.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -81.92 -27.28 33.42 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 174.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.06 -16.84 63.79 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 117.569 2.433 . . . . 0.0 117.569 -162.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 16.0 t80 113.91 111.02 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 1 C-N-CA 131.733 4.013 . . . . 0.0 109.142 -163.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.25 41.26 0.92 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.134 1.373 . . . . 0.0 114.272 -164.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 73.4 t80 . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.708 1.603 . . . . 0.0 111.981 -174.791 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.208 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.2 -8.89 56.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 127.769 2.428 . . . . 0.0 114.585 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.624 ' H ' ' HD2' ' B' ' 9' ' ' PRO . 0.6 OUTLIER -141.01 -36.46 0.01 OUTLIER Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 126.203 1.801 . . . . 0.0 113.797 162.233 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.624 ' HD2' ' H ' ' B' ' 8' ' ' THR . 62.9 Cg_endo -80.15 77.28 4.13 Favored 'Trans proline' 0 C--N 1.358 1.076 0 CA-C-N 123.348 2.232 . . . . 0.0 113.92 -178.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -143.29 90.07 2.15 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 126.561 1.944 . . . . 0.0 106.647 162.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.65 172.54 21.15 Favored Glycine 0 CA--C 1.533 1.164 1 CA-C-N 108.013 -4.176 . . . . 0.0 113.923 160.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.468 ' NE2' HG13 ' A' ' 109' ' ' VAL . 35.5 p-80 -151.93 153.51 34.26 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.433 -1.039 . . . . 0.0 111.66 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -147.53 160.19 42.89 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.289 -1.507 . . . . 0.0 111.858 173.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -132.45 -7.46 3.3 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.692 1.997 . . . . 0.0 114.55 -174.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -121.05 -33.1 3.8 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.388 1.475 . . . . 0.0 112.036 172.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.94 72.88 10.01 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.823 1.297 . . . . 0.0 108.279 160.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.0 t -134.57 148.69 50.52 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.495 1.518 . . . . 0.0 110.378 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.616 HD23 HG11 ' A' ' 63' ' ' VAL . 60.0 tp -93.1 121.03 34.03 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 163.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.86 110.42 19.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 122.271 1.034 . . . . 0.0 109.66 162.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.69 -29.69 70.27 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.451 169.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . 0.601 HD22 ' HB2' ' A' ' 104' ' ' SER . 22.9 m-80 -149.44 -9.52 0.32 Allowed 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 9.3 t -135.59 54.41 10.37 Favored Pre-proline 0 N--CA 1.488 1.47 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -160.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -68.18 143.78 60.45 Favored 'Trans proline' 0 CA--C 1.537 0.636 0 C-N-CA 122.371 2.048 . . . . 0.0 111.855 166.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -158.69 150.56 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.697 0.799 . . . . 0.0 113.005 -173.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -128.96 174.74 9.24 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.462 1.905 . . . . 0.0 111.748 178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -139.81 65.31 1.43 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.013 1.725 . . . . 0.0 110.886 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 O-C-N 120.417 -1.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.7 p -153.66 162.04 41.61 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.315 1.416 . . . . 0.0 113.855 -175.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 168.19 164.03 23.17 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 115.235 0.854 . . . . 0.0 115.235 170.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.4 mt -79.96 148.03 67.3 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.277 1.431 . . . . 0.0 111.848 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -55.79 138.37 81.39 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.577 2.852 . . . . 0.0 116.924 -170.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.2 t -142.87 45.34 1.58 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.639 1.976 . . . . 0.0 110.634 162.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.7 p -119.49 148.01 43.76 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.077 0.951 . . . . 0.0 111.52 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.36 -38.88 85.22 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -167.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.52 -27.98 66.5 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 121.662 -0.649 . . . . 0.0 113.59 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -85.97 -25.78 25.84 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.11 0.964 . . . . 0.0 111.873 174.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 tp -68.1 -42.95 79.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.781 0.833 . . . . 0.0 111.813 163.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.8 -37.46 66.1 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.635 1.174 . . . . 0.0 112.89 174.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -66.63 -36.82 83.49 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.649 -0.657 . . . . 0.0 112.254 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -63.92 -55.97 18.7 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.638 -0.664 . . . . 0.0 110.353 166.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.9 mt -57.84 -34.32 69.58 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -176.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -68.75 -32.47 72.26 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.574 1.149 . . . . 0.0 112.34 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -71.09 -44.52 65.51 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.054 0.843 . . . . 0.0 110.96 169.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CD1' ' CE2' ' B' ' 11' ' ' TYS . 2.3 m-30 -60.55 -28.11 68.19 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.688 1.595 . . . . 0.0 112.007 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.42 -55.7 9.57 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.624 -1.298 . . . . 0.0 113.358 169.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -65.0 -41.13 95.67 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.192 0.906 . . . . 0.0 112.637 -177.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -79.65 -15.53 57.42 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.436 1.494 . . . . 0.0 111.949 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -102.91 -42.84 2.03 Favored Glycine 0 CA--C 1.527 0.802 0 O-C-N 121.531 -0.731 . . . . 0.0 114.855 -176.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 p -99.57 158.31 15.84 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.97 1.308 . . . . 0.0 111.726 -173.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -68.63 -31.83 71.26 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.697 -0.627 . . . . 0.0 112.59 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -153.02 116.32 4.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.581 1.552 . . . . 0.0 110.621 169.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.4 p -80.47 -17.13 52.58 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.98 -17.45 64.93 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 -173.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -70.48 -22.55 62.65 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.213 1.005 . . . . 0.0 112.659 174.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 89.1 m-85 -79.35 142.49 36.0 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.061 0.944 . . . . 0.0 112.495 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -124.52 -34.83 2.82 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.095 1.358 . . . . 0.0 111.053 -171.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -147.99 174.94 11.4 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 122.295 1.045 . . . . 0.0 113.414 168.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -144.99 162.08 37.8 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 126.648 1.979 . . . . 0.0 110.861 175.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.608 HG11 HD23 ' B' ' 20' ' ' LEU . 10.0 p -138.0 124.75 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 C-N-CA 124.405 1.082 . . . . 0.0 109.953 174.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -96.97 123.51 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 124.831 1.252 . . . . 0.0 108.72 -177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.5 mp -105.98 109.38 21.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 126.265 1.826 . . . . 0.0 108.638 174.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.9 p -102.83 170.22 8.13 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.56 0.695 . . . . 0.0 110.533 -177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -56.05 163.75 1.45 Allowed 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.581 -0.699 . . . . 0.0 111.747 162.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 59.45 38.47 22.66 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt 70.56 21.08 5.61 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.697 1.999 . . . . 0.0 114.495 170.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.71 135.75 20.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 121.216 -0.928 . . . . 0.0 112.719 172.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -146.83 111.76 5.37 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.344 2.258 . . . . 0.0 105.96 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -131.34 107.91 9.28 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 110.706 -169.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.4 t -85.85 137.34 32.84 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.276 0.63 . . . . 0.0 110.932 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -142.92 118.2 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.303 1.441 . . . . 0.0 109.962 -172.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -82.42 125.78 31.45 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.49 0.662 . . . . 0.0 110.179 176.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.2 mt -82.68 -19.24 38.52 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.396 1.478 . . . . 0.0 113.023 -174.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -70.05 -5.09 24.25 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -175.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.8 p -145.83 156.1 51.88 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.775 1.23 . . . . 0.0 110.487 -171.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -73.53 163.21 38.11 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.65 3.566 . . . . 0.0 113.122 172.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.508 HD21 ' HE3' ' A' ' 85' ' ' LYS . 1.1 pt? -106.13 158.01 17.14 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -176.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.12 154.67 33.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.842 2.057 . . . . 0.0 113.231 165.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.91 -25.12 63.13 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.095 -1.003 . . . . 0.0 113.323 173.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.0 -42.38 72.42 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.222 1.009 . . . . 0.0 111.538 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -72.76 -39.07 67.09 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.938 1.295 . . . . 0.0 111.62 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.508 ' HE3' HD21 ' A' ' 80' ' ' LEU . 96.6 mttt -58.89 -14.4 8.95 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 170.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -122.65 -13.45 7.94 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.557 1.143 . . . . 0.0 113.942 -169.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.3 128.67 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.757 1.162 . . . . 0.0 110.189 -176.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.63 121.11 18.21 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.358 0.599 . . . . 0.0 111.156 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.61 140.51 58.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.143 0.577 . . . . 0.0 109.79 168.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 mt -66.22 -22.73 66.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.689 1.196 . . . . 0.0 113.718 178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.12 -172.14 37.02 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.863 1.221 . . . . 0.0 112.881 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.6 tptt -68.56 148.86 49.92 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.143 1.377 . . . . 0.0 113.297 178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 30.4 ttp -68.52 66.68 0.12 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.981 2.113 . . . . 0.0 114.81 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -48.85 -48.69 41.67 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.95 1.3 . . . . 0.0 114.021 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -149.35 161.63 41.67 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.334 1.054 . . . . 0.0 113.293 175.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.7 m -135.53 141.8 45.29 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.456 1.103 . . . . 0.0 110.147 160.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -118.52 142.5 47.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.153 1.781 . . . . 0.0 109.68 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -132.28 145.88 51.6 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.299 1.44 . . . . 0.0 112.131 -168.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -134.56 127.45 31.32 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 125.425 1.49 . . . . 0.0 109.552 -164.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -65.96 168.36 8.28 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.358 0.599 . . . . 0.0 111.963 173.867 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -46.33 107.98 0.12 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.73 1.612 . . . . 0.0 111.378 163.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.52 47.93 5.8 Favored Glycine 0 CA--C 1.543 1.788 0 N-CA-C 116.358 1.303 . . . . 0.0 116.358 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -128.98 163.6 24.99 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.498 1.649 . . . . 0.0 114.053 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.1 t -149.75 22.96 0.89 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.601 1.96 . . . . 0.0 112.617 174.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -151.72 133.71 15.03 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.859 1.663 . . . . 0.0 107.156 163.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.9 p -59.31 158.3 9.49 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 122.482 1.134 . . . . 0.0 114.024 -170.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.1 m -124.29 -14.97 6.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 113.53 -1.668 . . . . 0.0 112.556 171.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -142.24 144.63 33.42 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.053 1.741 . . . . 0.0 108.588 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.423 HG13 ' CD2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -152.76 155.55 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.889 1.276 . . . . 0.0 111.712 -175.558 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -138.28 129.41 36.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 123.8 0.84 . . . . 0.0 108.87 -172.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -89.27 138.3 31.55 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 123.964 0.906 . . . . 0.0 109.476 174.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.4 -175.22 16.3 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 123.332 0.491 . . . . 0.0 113.555 -177.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -67.43 124.82 12.52 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.951 2.434 . . . . 0.0 110.929 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 147.01 162.97 10.23 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 126.652 2.073 . . . . 0.0 109.833 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -141.6 -32.54 0.53 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -166.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.8 t -143.7 116.8 8.92 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.461 1.124 . . . . 0.0 113.554 -177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -70.28 -3.64 18.14 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.701 -1.25 . . . . 0.0 112.485 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -100.12 12.93 35.78 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.179 1.392 . . . . 0.0 113.234 -161.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.255 12.1 t80 75.19 101.69 0.07 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 127.957 2.503 . . . . 0.0 113.081 -176.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.44 77.94 0.27 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.3 1.84 . . . . 0.0 111.407 171.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--O 1.251 1.166 0 C-N-CA 126.225 1.81 . . . . 0.0 113.148 176.417 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.291 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.4 t -155.4 146.06 22.19 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.194 1.397 . . . . 0.0 112.735 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 95.6 m -153.11 140.33 13.08 Favored Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 126.825 2.05 . . . . 0.0 111.055 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.7 177.41 0.07 OUTLIER 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 125.119 3.879 . . . . 0.0 116.301 168.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -75.71 99.29 4.33 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.001 -1.062 . . . . 0.0 112.227 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . 0.439 ' CE2' ' CD1' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.58 -174.47 10.74 Favored Glycine 0 N--CA 1.439 -1.119 1 CA-C-N 104.75 -5.659 . . . . 0.0 118.451 161.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.423 ' CD2' HG13 ' A' ' 109' ' ' VAL . 39.1 p-80 -156.65 149.61 23.93 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 124.812 1.245 . . . . 0.0 111.441 179.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.72 172.04 8.75 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.305 -1.497 . . . . 0.0 114.622 -163.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -135.56 -22.82 1.46 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.266 1.426 . . . . 0.0 114.023 171.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -136.08 -26.85 1.14 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.763 1.225 . . . . 0.0 114.098 -175.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.93 -14.5 61.94 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.2 t -43.35 149.56 0.24 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.648 2.092 . . . . 0.0 116.648 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.608 HD23 HG11 ' A' ' 63' ' ' VAL . 63.7 tp -94.44 112.32 24.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.162 160.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.9 132.46 45.27 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.809 1.644 . . . . 0.0 111.598 160.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mp -106.84 6.92 29.88 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.281 2.232 . . . . 0.0 113.986 -173.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -144.79 -34.24 0.36 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -166.0 146.76 5.61 Favored Pre-proline 0 N--CA 1.478 0.969 0 CA-C-N 120.025 1.284 . . . . 0.0 109.817 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -77.08 173.51 14.31 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 123.352 2.701 . . . . 0.0 113.98 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.9 t -44.54 132.79 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.713 1.605 . . . . 0.0 111.369 165.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -134.51 -29.44 1.2 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.99 1.316 . . . . 0.0 114.212 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -158.01 126.46 5.49 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.498 1.119 . . . . 0.0 111.075 -164.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.582 0 O-C-N 121.043 -1.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.4 m -151.57 -25.04 0.2 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -174.53 167.89 40.37 Favored Glycine 0 CA--C 1.528 0.873 0 O-C-N 121.082 -1.011 . . . . 0.0 114.522 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.8 mt -146.94 141.92 16.51 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.679 1.592 . . . . 0.0 110.864 -169.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -58.46 -19.49 44.23 Favored 'Trans proline' 0 CA--C 1.545 1.054 0 C-N-CA 122.47 2.113 . . . . 0.0 112.19 156.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . 0.328 0.6 OUTLIER 57.09 -7.73 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 131.396 3.878 . . . . 0.0 117.597 174.809 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.7 p -138.83 140.08 38.4 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 119.316 0.962 . . . . 0.0 111.706 160.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -34.34 69.02 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.791 0.836 . . . . 0.0 112.389 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -48.28 -35.12 14.13 Favored Glycine 0 CA--C 1.536 1.373 0 N-CA-C 115.714 1.046 . . . . 0.0 115.714 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -83.29 -36.7 24.28 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 118.27 1.035 . . . . 0.0 112.62 176.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.54 -39.7 81.03 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.295 0.638 . . . . 0.0 112.39 177.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.19 -41.71 68.86 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.457 1.103 . . . . 0.0 111.833 172.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -67.93 -28.65 67.66 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.468 1.107 . . . . 0.0 112.895 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -71.6 -55.86 6.97 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.575 -0.703 . . . . 0.0 110.725 166.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -66.65 -39.82 88.39 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -168.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -63.17 -33.91 76.48 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.317 0.962 . . . . 0.0 111.39 175.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -74.04 -39.73 63.34 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 118.841 -0.599 . . . . 0.0 112.057 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -60.14 -31.38 70.03 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.519 1.054 . . . . 0.0 113.217 172.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -48.32 81.82 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.833 -1.167 . . . . 0.0 112.897 171.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -65.42 -38.16 89.09 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.369 0.668 . . . . 0.0 112.394 176.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' HD3' ' CE1' ' B' ' 11' ' ' TYS . 75.7 mttt -75.48 -29.42 59.57 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.587 1.555 . . . . 0.0 114.611 -178.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.24 -13.77 14.64 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 118.974 0.807 . . . . 0.0 115.098 -172.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.7 p -100.56 165.77 11.25 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.925 1.363 . . . . 0.0 112.383 169.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -71.61 -36.56 70.84 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.624 -0.673 . . . . 0.0 111.118 168.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -149.03 116.37 6.13 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.453 1.501 . . . . 0.0 112.746 175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 t -75.91 -20.29 58.13 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.319 1.448 . . . . 0.0 114.152 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.21 -11.67 61.06 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -169.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -81.03 -12.41 59.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 0.0 113.486 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.444 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 84.3 m-85 -85.13 146.18 27.25 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.162 0.985 . . . . 0.0 112.707 -174.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -128.2 -27.5 2.7 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.005 1.322 . . . . 0.0 111.905 -166.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.2 pttm -153.33 171.63 18.29 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.709 0.803 . . . . 0.0 112.952 168.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -146.93 156.97 43.49 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.635 1.974 . . . . 0.0 111.632 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.68 HG11 HD23 ' B' ' 20' ' ' LEU . 12.1 p -146.51 143.23 20.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.023 1.329 . . . . 0.0 110.358 -176.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mt -128.44 128.26 68.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 124.725 1.21 . . . . 0.0 108.572 -160.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.2 mt -118.58 128.0 54.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.387 1.075 . . . . 0.0 109.821 176.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 69.7 p -119.11 175.6 5.7 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.327 0.651 . . . . 0.0 112.549 -173.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -52.64 164.1 0.39 Allowed 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 160.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 57.68 31.85 21.01 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.288 1.035 . . . . 0.0 113.242 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 55.37 28.54 11.61 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 128.908 2.883 . . . . 0.0 115.407 174.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.56 140.3 34.9 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 117.807 0.276 . . . . 0.0 112.884 174.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -137.9 130.08 28.98 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.811 2.044 . . . . 0.0 108.976 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -143.16 142.53 31.49 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.679 1.191 . . . . 0.0 109.904 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.7 t -132.74 142.42 49.02 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.459 1.027 . . . . 0.0 112.359 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -144.21 123.88 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.178 1.391 . . . . 0.0 110.288 -168.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -75.22 140.35 43.19 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 122.231 1.015 . . . . 0.0 111.296 170.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.3 mt -95.11 0.37 54.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.687 1.595 . . . . 0.0 112.199 177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -66.13 -17.73 64.9 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.157 0.983 . . . . 0.0 113.553 169.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -152.09 153.86 31.76 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 127.348 2.259 . . . . 0.0 109.745 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.45 153.0 79.34 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 124.197 3.264 . . . . 0.0 112.074 168.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -52.11 134.62 32.54 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.778 1.631 . . . . 0.0 113.613 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.67 150.66 48.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.767 1.227 . . . . 0.0 112.191 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -65.13 -35.47 81.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.786 -1.196 . . . . 0.0 113.239 -171.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.36 -10.03 56.09 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.67 -1.268 . . . . 0.0 112.899 174.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -109.71 -25.72 10.24 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.13 1.772 . . . . 0.0 112.697 175.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -54.93 -26.08 33.75 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.666 -1.271 . . . . 0.0 111.965 160.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -112.55 8.2 19.15 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.081 1.752 . . . . 0.0 115.012 -176.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.7 p -84.37 139.97 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 CA-C-N 121.559 1.982 . . . . 0.0 111.879 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -60.01 154.29 19.42 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.871 1.268 . . . . 0.0 113.187 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.7 mt -113.12 129.18 56.59 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.846 1.258 . . . . 0.0 110.715 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.8 mt -72.81 -31.95 65.19 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.037 0.935 . . . . 0.0 113.422 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -160.13 176.84 36.78 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.19 0.9 . . . . 0.0 114.54 -175.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -66.32 157.61 31.25 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.992 1.717 . . . . 0.0 112.435 172.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 ttp -70.58 64.39 0.29 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 128.562 2.745 . . . . 0.0 113.79 -172.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -61.71 -38.79 89.16 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 120.423 -1.423 . . . . 0.0 114.398 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.2 152.42 30.34 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.025 0.93 . . . . 0.0 111.979 -176.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.0 m -143.35 144.15 31.96 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 120.671 -1.268 . . . . 0.0 109.988 169.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -124.24 153.79 41.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.009 1.323 . . . . 0.0 111.866 175.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -143.2 149.07 37.48 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.747 1.619 . . . . 0.0 111.612 -171.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.418 ' HE1' HG12 ' A' ' 63' ' ' VAL . 15.9 m-85 -136.61 130.63 32.58 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 125.256 1.422 . . . . 0.0 109.059 -164.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 25.0 mttt -70.01 170.14 11.94 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.421 0.555 . . . . 0.0 111.086 175.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -53.12 123.02 10.61 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.933 -0.48 . . . . 0.0 111.487 170.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.56 36.87 18.71 Favored Glycine 0 CA--C 1.536 1.386 0 N-CA-C 115.431 0.932 . . . . 0.0 115.431 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -130.17 159.14 37.73 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.668 1.734 . . . . 0.0 113.816 -177.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.1 p -144.19 13.48 1.62 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.976 1.71 . . . . 0.0 114.071 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -140.7 138.37 34.19 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.752 1.621 . . . . 0.0 107.468 160.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.4 p -58.51 161.5 4.5 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -168.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.6 t -123.28 -19.09 6.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.127 1.371 . . . . 0.0 112.502 170.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -142.25 145.63 34.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 125.196 1.398 . . . . 0.0 109.355 -177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.78 155.9 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 125.459 1.504 . . . . 0.0 112.244 -173.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.4 HG12 ' CA ' ' B' ' 12' ' ' GLY . 58.2 mt -133.31 127.69 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 -176.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -91.26 139.59 30.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.775 1.63 . . . . 0.0 108.806 175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.0 -178.64 29.49 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 121.371 -0.831 . . . . 0.0 114.614 -175.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -71.21 133.0 22.04 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 123.303 2.669 . . . . 0.0 112.312 -173.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 164.54 -17.18 0.11 Allowed Glycine 0 CA--C 1.538 1.521 0 C-N-CA 126.006 1.765 . . . . 0.0 115.136 175.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.2 tptt 62.77 -22.72 0.05 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 127.438 2.295 . . . . 0.0 117.04 178.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -175.47 159.62 2.44 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.789 2.036 . . . . 0.0 109.116 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -81.67 -23.73 36.7 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.208 -0.933 . . . . 0.0 112.167 168.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -86.63 34.25 0.65 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.123 1.769 . . . . 0.0 114.316 -163.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.318 0.9 OUTLIER 63.58 141.24 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 128.932 2.893 . . . . 0.0 113.851 -161.359 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.99 60.19 1.38 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.819 0.847 . . . . 0.0 112.341 -162.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 36.3 t80 . . . . . 0 C--O 1.251 1.15 0 C-N-CA 127.651 2.38 . . . . 0.0 108.9 166.08 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.021 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -143.38 -5.7 0.84 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.37 159.31 42.27 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.511 1.524 . . . . 0.0 111.312 -178.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -46.72 167.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.352 0.763 1 C-N-CA 125.518 4.145 . . . . 0.0 117.291 174.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -75.1 98.55 3.71 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.491 1.116 . . . . 0.0 109.832 160.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . 0.406 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.4 ' CA ' HG12 ' A' ' 110' ' ' ILE . . . 163.34 156.66 8.76 Favored Glycine 0 N--CA 1.435 -1.393 0 CA-C-N 111.27 -2.695 . . . . 0.0 113.517 177.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 -146.49 148.82 32.63 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 122.374 1.083 . . . . 0.0 111.385 -173.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.89 163.83 14.57 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.776 -1.202 . . . . 0.0 113.653 -173.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -144.55 21.28 1.68 Allowed 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.073 1.349 . . . . 0.0 112.09 168.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -155.43 -11.83 0.11 Allowed 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 -162.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -120.32 -11.82 9.11 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.168 1.387 . . . . 0.0 112.776 178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.8 t -44.1 142.27 1.48 Allowed 'General case' 0 C--O 1.238 0.472 0 C-N-CA 127.861 2.464 . . . . 0.0 116.699 -170.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.68 HD23 HG11 ' A' ' 63' ' ' VAL . 48.2 tp -87.92 122.7 31.85 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.338 -1.301 . . . . 0.0 107.949 164.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -81.78 133.81 35.37 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.191 1.396 . . . . 0.0 111.678 162.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.4 mp -108.24 27.21 9.54 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.196 2.998 . . . . 0.0 112.279 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -137.56 146.17 43.76 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.472 1.509 . . . . 0.0 110.631 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.468 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 3.6 t -178.7 -34.51 0.0 OUTLIER Pre-proline 0 N--CA 1.479 1.025 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -169.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.468 ' CD ' ' H ' ' B' ' 24' ' ' THR . 81.1 Cg_endo -80.84 152.6 19.34 Favored 'Trans proline' 0 C--N 1.352 0.733 0 CA-C-N 122.75 2.018 . . . . 0.0 115.434 -158.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 14.7 p -157.59 139.43 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.108 1.763 . . . . 0.0 110.642 176.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -147.92 160.91 42.3 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.636 1.574 . . . . 0.0 110.627 178.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -141.75 76.44 1.54 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.574 1.55 . . . . 0.0 110.153 -177.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 120.818 -1.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 119.235 -0.412 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 t -131.89 -13.48 3.22 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.604 1.705 . . . . 0.0 115.604 -170.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.52 -152.25 23.36 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 116.871 1.509 . . . . 0.0 116.871 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.9 mt -146.77 170.64 7.47 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 129.593 3.157 . . . . 0.0 108.428 170.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -61.08 -87.27 0.0 OUTLIER 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 122.685 2.257 . . . . 0.0 110.254 161.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . 0.288 3.5 t 40.96 38.98 0.75 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.326 1.451 . . . . 0.0 113.685 -174.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 p -114.36 147.64 38.85 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 125.792 1.637 . . . . 0.0 111.049 -178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.46 -35.47 63.05 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 118.515 -0.755 . . . . 0.0 112.709 172.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.17 -53.47 46.04 Favored Glycine 0 CA--C 1.535 1.294 0 CA-C-N 119.964 1.256 . . . . 0.0 115.18 174.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -68.46 -39.68 81.35 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 117.954 0.877 . . . . 0.0 111.952 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.61 -46.55 88.63 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 168.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.64 -41.96 91.66 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.481 1.113 . . . . 0.0 112.209 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -58.76 -42.26 88.51 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.375 0.534 . . . . 0.0 110.635 176.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -62.84 -55.97 21.53 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.437 0.695 . . . . 0.0 111.088 171.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.5 mt -65.18 -39.45 92.9 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -172.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -73.06 -22.51 60.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.665 1.12 . . . . 0.0 113.15 173.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -70.85 -39.71 72.79 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 117.489 -1.243 . . . . 0.0 113.165 162.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -54.4 -42.87 70.92 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.857 1.662 . . . . 0.0 113.651 -175.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.16 -43.13 99.17 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.466 1.03 . . . . 0.0 113.05 175.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -68.24 -44.22 76.17 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.5 1.045 . . . . 0.0 111.8 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -64.0 -17.86 63.73 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.737 2.015 . . . . 0.0 114.04 172.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.23 -41.01 0.38 Allowed Glycine 0 CA--C 1.536 1.386 0 N-CA-C 116.44 1.336 . . . . 0.0 116.44 -161.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.427 HG22 ' CE1' ' A' ' 108' ' ' TYR . 43.9 p -93.78 162.55 13.88 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.766 1.626 . . . . 0.0 111.384 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.51 -33.36 69.16 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.42 -0.8 . . . . 0.0 113.004 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -153.05 89.27 1.36 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.369 2.268 . . . . 0.0 112.771 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -52.41 -29.68 25.49 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.889 2.076 . . . . 0.0 115.793 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.61 -20.47 60.72 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -168.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -70.91 -24.09 62.39 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.405 1.482 . . . . 0.0 113.692 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 86.4 m-85 -73.27 152.05 41.13 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.011 0.924 . . . . 0.0 111.476 -178.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -128.83 -30.37 2.27 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.062 -1.023 . . . . 0.0 113.514 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -148.56 170.52 17.9 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 176.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -138.28 159.9 40.85 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 126.453 1.901 . . . . 0.0 111.795 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.668 HG11 HD23 ' B' ' 20' ' ' LEU . 12.7 p -145.71 144.56 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.646 1.579 . . . . 0.0 110.325 176.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 mt -130.91 131.71 64.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 125.584 1.553 . . . . 0.0 108.014 -167.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.9 mt -115.51 116.01 27.46 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.477 1.111 . . . . 0.0 108.348 173.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 51.0 p -104.25 171.08 7.53 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.331 0.653 . . . . 0.0 111.098 -177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -55.59 162.71 1.54 Allowed 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.317 -0.865 . . . . 0.0 111.39 161.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 63.08 40.46 9.06 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.769 1.227 . . . . 0.0 114.235 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.8 mttt 62.93 24.26 14.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.265 1.826 . . . . 0.0 114.638 170.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -78.59 138.76 21.44 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 121.68 0.6 . . . . 0.0 113.264 173.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -142.9 123.87 14.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.59 2.356 . . . . 0.0 107.043 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -140.04 143.01 36.16 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.942 0.897 . . . . 0.0 110.086 -175.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t -141.75 144.4 33.99 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.441 1.018 . . . . 0.0 112.648 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.5 t -143.15 133.22 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 125.174 1.39 . . . . 0.0 109.812 -175.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -78.91 127.95 32.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.83 0.824 . . . . 0.0 110.328 166.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.2 mt -79.58 -9.61 59.65 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.944 1.697 . . . . 0.0 114.287 -172.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -68.03 -9.39 45.45 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.0 p -142.95 147.45 41.48 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 126.076 1.751 . . . . 0.0 110.304 -171.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.94 135.27 58.26 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.239 2.626 . . . . 0.0 110.842 161.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -74.8 158.04 34.13 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -175.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.45 151.24 32.77 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.038 1.335 . . . . 0.0 113.507 -175.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.42 -20.53 64.58 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.599 2.074 . . . . 0.0 116.599 -170.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -65.48 -46.37 80.03 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.343 1.428 . . . . 0.0 110.624 168.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -71.71 -22.59 61.61 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.34 1.056 . . . . 0.0 112.872 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -59.91 -21.22 60.81 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 169.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -128.01 12.21 6.65 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.547 1.539 . . . . 0.0 114.132 -173.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.7 p -83.52 131.85 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-N 119.637 1.108 . . . . 0.0 109.852 176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -78.59 135.8 37.35 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.654 1.181 . . . . 0.0 112.488 -171.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.3 mt -80.81 131.79 35.43 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.906 1.682 . . . . 0.0 110.542 170.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.2 mt -61.02 -25.88 67.22 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.86 -172.72 32.68 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.091 0.853 . . . . 0.0 114.163 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -68.84 152.87 44.74 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.697 1.999 . . . . 0.0 112.798 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 32.9 ttp -69.81 60.13 0.16 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.471 2.308 . . . . 0.0 114.686 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.484 ' CE2' ' HE2' ' A' ' 95' ' ' LYS . 15.7 t80 -51.34 -50.86 58.64 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.349 1.059 . . . . 0.0 113.602 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.484 ' HE2' ' CE2' ' A' ' 94' ' ' TYR . 15.0 ttpt -156.78 145.43 19.91 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 119.497 1.044 . . . . 0.0 112.953 -179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.7 m -132.22 150.68 52.1 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.074 1.35 . . . . 0.0 110.555 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -134.51 151.67 51.28 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 127.029 2.132 . . . . 0.0 111.862 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -145.82 146.05 31.01 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.656 1.183 . . . . 0.0 112.589 -169.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.416 ' HE1' HG12 ' A' ' 63' ' ' VAL . 14.1 m-85 -133.73 136.91 44.93 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.835 1.254 . . . . 0.0 110.945 -163.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -76.53 164.04 26.33 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.781 0.719 . . . . 0.0 111.526 174.184 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -47.67 112.2 0.52 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.793 1.237 . . . . 0.0 112.258 175.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.68 6.21 70.54 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.44 1.495 . . . . 0.0 115.398 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -90.2 164.87 14.25 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.476 1.638 . . . . 0.0 112.984 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.2 p -138.22 -4.07 1.72 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.416 1.886 . . . . 0.0 114.432 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -129.46 139.68 51.53 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.498 1.919 . . . . 0.0 108.329 166.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 t -67.18 156.53 36.0 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -170.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.5 t -122.99 -18.68 6.33 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.299 1.84 . . . . 0.0 113.66 173.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.427 ' CE1' HG22 ' A' ' 53' ' ' THR . 28.0 t80 -129.06 138.6 51.97 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.346 0.976 . . . . 0.0 109.909 175.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.524 HG23 ' NE2' ' B' ' 13' ' ' HIS . 0.9 OUTLIER -143.12 151.39 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 125.295 1.438 . . . . 0.0 110.808 -172.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.2 mt -144.14 124.48 8.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 -170.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -98.4 137.03 37.69 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.026 1.33 . . . . 0.0 109.225 -175.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.34 -176.52 23.43 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.46 0.552 . . . . 0.0 113.649 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.8 136.06 34.54 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.033 2.489 . . . . 0.0 111.772 -173.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 133.92 157.66 8.33 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 127.941 2.686 . . . . 0.0 109.074 -171.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -135.26 -28.31 1.16 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -171.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.1 t -146.5 128.11 15.15 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.294 1.406 . . . . 0.0 112.357 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -71.04 -4.79 26.83 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 172.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -92.28 -15.14 27.84 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -169.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 89.6 t80 127.28 138.5 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.009 1 C-N-CA 131.87 4.068 . . . . 0.0 110.362 -174.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.74 121.68 36.91 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.472 1.109 . . . . 0.0 113.266 -178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 86.4 t80 . . . . . 0 C--O 1.252 1.194 0 C-N-CA 127.203 2.201 . . . . 0.0 109.675 169.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.2 t -139.41 10.86 2.53 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.495 1.118 . . . . 0.0 113.859 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -127.29 -62.28 0.02 OUTLIER Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.109 1.363 . . . . 0.0 113.363 -160.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -69.7 153.32 69.33 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 CA-C-N 122.633 1.976 . . . . 0.0 114.839 -163.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 86.12 92.94 0.03 OUTLIER 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 130.437 3.495 . . . . 0.0 109.382 -163.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 78.72 173.91 43.78 Favored Glycine 0 N--CA 1.432 -1.593 0 CA-C-N 108.567 -3.924 . . . . 0.0 113.665 171.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.524 ' NE2' HG23 ' A' ' 109' ' ' VAL . 37.3 p-80 -154.1 150.13 27.85 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 122.245 1.021 . . . . 0.0 111.868 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -154.81 157.21 37.57 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.792 -1.193 . . . . 0.0 112.36 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -126.84 -9.95 6.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.94 1.696 . . . . 0.0 114.508 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.84 -20.3 5.04 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -175.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -96.39 9.32 41.61 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.768 1.227 . . . . 0.0 112.11 171.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.1 t -57.14 165.7 1.28 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 126.805 2.042 . . . . 0.0 114.785 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.668 HD23 HG11 ' A' ' 63' ' ' VAL . 58.1 tp -110.07 142.47 41.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.445 1.898 . . . . 0.0 107.028 161.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.7 149.4 26.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 123.605 1.669 . . . . 0.0 112.397 162.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -110.73 -32.31 6.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 112.301 -2.227 . . . . 0.0 112.113 -172.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -172.28 177.53 3.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.051 2.14 . . . . 0.0 109.076 -172.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.546 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 11.0 t -148.78 -20.24 0.0 OUTLIER Pre-proline 0 CA--C 1.551 1.018 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 173.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.546 ' CD ' ' H ' ' B' ' 24' ' ' THR . 67.4 Cg_endo -72.53 132.34 18.83 Favored 'Trans proline' 0 C--N 1.355 0.921 0 CA-C-N 124.206 2.538 . . . . 0.0 111.886 -177.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 8.5 p -159.0 137.2 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.343 1.457 . . . . 0.0 110.094 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -71.26 -26.35 62.85 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 120.935 -1.103 . . . . 0.0 113.809 -170.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -155.37 151.53 28.0 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.486 1.914 . . . . 0.0 110.577 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.412 0 O-C-N 121.247 -0.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.8 m -60.99 -29.2 69.54 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 172.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.1 -48.43 0.35 Allowed Glycine 0 CA--C 1.528 0.846 0 CA-C-O 118.296 -1.28 . . . . 0.0 115.255 -164.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.3 mt -146.97 99.59 3.98 Favored Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 119.128 1.464 . . . . 0.0 112.206 -168.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -85.63 150.83 10.13 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 123.78 2.986 . . . . 0.0 111.832 171.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.0 t -140.25 29.22 2.02 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 122.422 1.105 . . . . 0.0 112.592 166.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.5 p -139.29 155.5 47.69 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.961 1.704 . . . . 0.0 109.074 163.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.1 mt -57.81 -37.89 74.57 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.331 169.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.06 -43.07 62.15 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-N 119.808 1.185 . . . . 0.0 113.687 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -76.85 -39.08 52.42 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.923 1.289 . . . . 0.0 112.83 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.1 tp -73.09 -42.58 62.83 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -62.37 -41.25 98.47 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.986 1.715 . . . . 0.0 111.105 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.91 -39.32 93.9 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.37 -0.831 . . . . 0.0 111.862 171.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -55.82 -57.28 12.7 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.653 0.781 . . . . 0.0 110.807 170.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.77 -34.36 78.01 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.096 0.958 . . . . 0.0 113.305 -171.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.3 mtt-85 -64.61 -34.03 77.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.305 0.642 . . . . 0.0 111.874 170.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -72.36 -40.49 67.3 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 172.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.23 -38.09 73.24 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.33 -50.94 71.63 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.886 -1.134 . . . . 0.0 112.785 172.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -58.71 -42.2 88.12 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.329 0.968 . . . . 0.0 111.976 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -65.02 -32.43 74.15 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 127.488 2.315 . . . . 0.0 114.564 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -119.05 -27.3 2.28 Favored Glycine 0 CA--C 1.538 1.508 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 -161.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.8 p -93.33 165.84 12.59 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 118.625 1.212 . . . . 0.0 113.447 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -73.51 -36.16 65.71 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.685 -0.634 . . . . 0.0 110.51 170.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -149.2 148.96 30.22 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.403 2.281 . . . . 0.0 110.3 171.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -105.64 -19.99 13.6 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.921 1.688 . . . . 0.0 113.448 176.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.97 -24.59 67.78 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 116.199 1.925 . . . . 0.0 116.199 -168.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.7 pm0 -79.72 -17.94 52.4 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.018 1.727 . . . . 0.0 112.773 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -73.65 153.67 40.04 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 122.128 0.966 . . . . 0.0 111.407 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -131.3 -40.67 1.12 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.598 1.559 . . . . 0.0 111.576 -171.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HD2' HG23 ' A' ' 73' ' ' THR . 15.9 pttt -144.88 171.9 13.78 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.845 0.831 . . . . 0.0 113.189 174.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -136.6 164.0 29.24 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 125.947 1.699 . . . . 0.0 111.138 167.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.548 HG11 HD23 ' B' ' 20' ' ' LEU . 5.5 p -138.1 130.35 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 125.257 1.423 . . . . 0.0 109.408 172.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.3 mt -110.47 131.68 60.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 125.046 1.338 . . . . 0.0 107.864 -170.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.7 mt -115.34 108.07 16.06 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.287 1.035 . . . . 0.0 109.786 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.1 p -100.59 167.57 10.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.823 0.849 . . . . 0.0 111.853 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -52.63 159.64 1.03 Allowed 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.132 -0.98 . . . . 0.0 111.229 160.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 60.35 42.41 14.88 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.317 1.047 . . . . 0.0 113.307 178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt 63.82 13.19 7.31 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.452 2.301 . . . . 0.0 114.929 166.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.0 126.13 22.98 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.561 0.601 . . . . 0.0 112.077 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -128.81 110.99 12.63 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.402 1.881 . . . . 0.0 106.498 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -124.17 103.39 8.23 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.237 0.615 . . . . 0.0 110.872 -171.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.438 HG23 ' HD2' ' A' ' 61' ' ' LYS . 2.3 m -72.16 138.45 47.65 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.677 0.791 . . . . 0.0 110.208 167.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.5 t -138.71 126.36 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.019 1.327 . . . . 0.0 109.573 171.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -86.3 115.15 23.66 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.952 0.901 . . . . 0.0 110.067 177.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.87 -23.68 44.73 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.77 1.628 . . . . 0.0 112.645 -174.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -67.94 7.99 0.46 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 126.241 1.817 . . . . 0.0 114.579 175.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.86 142.46 17.9 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 126.985 2.114 . . . . 0.0 110.07 169.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -50.04 144.52 21.83 Favored 'Trans proline' 0 CA--C 1.535 0.554 0 C-N-CA 125.206 3.937 . . . . 0.0 113.163 170.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -55.96 141.19 40.54 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -174.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.01 118.48 7.89 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 122.85 0.46 . . . . 0.0 110.436 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.98 -19.36 61.05 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -171.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -65.18 -24.94 67.51 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.813 1.245 . . . . 0.0 113.3 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -58.76 -23.48 60.11 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.824 1.25 . . . . 0.0 112.592 175.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -69.18 -10.22 56.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.457 1.103 . . . . 0.0 113.262 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -126.21 -4.08 6.81 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.123 1.369 . . . . 0.0 113.87 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.6 p -80.86 146.01 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 120.852 -1.155 . . . . 0.0 110.897 175.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -77.83 156.41 30.46 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.53 1.132 . . . . 0.0 113.029 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.15 121.37 43.68 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.636 1.574 . . . . 0.0 109.414 170.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.2 mt -53.11 -30.7 38.0 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.599 1.56 . . . . 0.0 114.164 -177.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -168.07 -172.53 35.15 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.576 1.084 . . . . 0.0 113.174 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -63.82 148.31 49.63 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.079 1.752 . . . . 0.0 114.223 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttt -66.68 64.48 0.05 Allowed 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 128.327 2.651 . . . . 0.0 113.735 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -58.29 -49.02 78.63 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 120.412 -1.43 . . . . 0.0 113.26 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -156.88 158.65 37.1 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.3 m -141.0 148.18 39.89 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.606 1.562 . . . . 0.0 110.515 171.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -126.09 151.17 47.55 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.552 1.541 . . . . 0.0 111.847 174.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -132.18 151.22 51.91 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.032 1.333 . . . . 0.0 112.197 -170.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -140.48 130.89 25.27 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.148 0.979 . . . . 0.0 110.377 -166.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.33 176.99 8.3 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.039 1.336 . . . . 0.0 109.789 169.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -49.06 119.9 3.57 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.94 1.74 49.15 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 118.24 2.056 . . . . 0.0 118.24 172.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -64.93 160.1 21.39 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 120.876 2.338 . . . . 0.0 114.538 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 63.5 p -129.62 6.54 5.19 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.923 1.689 . . . . 0.0 114.348 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -140.34 136.52 33.28 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.749 -1.22 . . . . 0.0 109.568 161.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 22.7 t -70.22 157.39 37.75 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -130.63 7.06 4.81 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.449 2.299 . . . . 0.0 112.596 167.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -143.15 132.98 23.98 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.587 1.54 . . . . 0.0 111.144 170.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.406 HG13 ' NE2' ' B' ' 13' ' ' HIS . 0.1 OUTLIER -147.97 153.01 12.15 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.607 0 C-N-CA 123.999 0.92 . . . . 0.0 111.626 -169.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.7 mt -142.72 137.91 27.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 124.077 0.951 . . . . 0.0 108.607 -164.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -108.29 156.14 19.71 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.189 1.396 . . . . 0.0 110.965 -170.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.61 -170.77 34.49 Favored Glycine 0 CA--C 1.535 1.31 0 N-CA-C 115.295 0.878 . . . . 0.0 115.295 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -67.16 133.51 30.97 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 123.133 2.555 . . . . 0.0 111.159 -178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 149.27 156.29 7.12 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 127.944 2.688 . . . . 0.0 109.636 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -131.72 -26.3 2.02 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -165.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.4 t -156.34 142.18 17.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.395 1.078 . . . . 0.0 110.231 168.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -78.93 -18.37 53.94 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.508 -0.745 . . . . 0.0 111.828 168.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -65.44 -20.98 66.6 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.329 1.604 . . . . 0.0 115.329 -174.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.324 0.0 OUTLIER 121.84 137.84 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.665 1 C-N-CA 133.099 4.559 . . . . 0.0 111.641 -175.347 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.73 54.99 0.65 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.991 2.117 . . . . 0.0 114.255 -170.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 7.6 t80 . . . . . 0 C--O 1.253 1.237 0 C-N-CA 125.248 1.419 . . . . 0.0 112.13 -174.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.008 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.6 t -66.22 -15.15 62.94 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 125.432 1.493 . . . . 0.0 114.52 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.497 ' H ' ' HD2' ' B' ' 9' ' ' PRO . 10.3 t -148.01 -39.63 0.01 OUTLIER Pre-proline 0 CA--C 1.544 0.72 0 CA-C-O 116.128 -1.891 . . . . 0.0 115.547 166.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.497 ' HD2' ' H ' ' B' ' 8' ' ' THR . 34.4 Cg_endo -84.76 57.45 5.0 Favored 'Trans proline' 0 C--N 1.355 0.875 0 CA-C-N 124.059 2.485 . . . . 0.0 114.559 -169.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' B' ' 12' ' ' GLY . 0.9 OUTLIER -130.03 80.4 1.95 Allowed 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 127.629 2.372 . . . . 0.0 106.406 165.662 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' B' ' 10' ' ' ASP . . . 91.38 166.34 40.27 Favored Glycine 0 N--CA 1.427 -1.923 0 CA-C-N 109.872 -3.331 . . . . 0.0 111.345 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.406 ' NE2' HG13 ' A' ' 109' ' ' VAL . 33.2 p-80 -154.52 148.68 25.9 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 123.471 0.708 . . . . 0.0 112.643 -177.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.29 169.1 17.7 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.595 -1.316 . . . . 0.0 113.357 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -140.89 21.13 2.31 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.148 0.979 . . . . 0.0 113.227 167.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -167.04 -35.7 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.252 1.421 . . . . 0.0 113.325 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -78.79 -8.91 59.21 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -173.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 11.3 t -39.09 166.35 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 131.096 3.758 . . . . 0.0 117.55 172.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.548 HD23 HG11 ' A' ' 63' ' ' VAL . 29.2 tp -103.28 117.65 34.98 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.506 1.522 . . . . 0.0 107.461 160.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -78.36 111.92 14.84 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.938 1.695 . . . . 0.0 110.429 162.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tp -81.04 -11.39 59.54 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.723 2.409 . . . . 0.0 114.32 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -69.3 4.43 1.71 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 5.8 t -152.26 139.75 12.85 Favored Pre-proline 0 N--CA 1.474 0.74 0 C-N-CA 124.415 1.086 . . . . 0.0 110.829 169.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -85.46 128.76 3.55 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.851 3.034 . . . . 0.0 111.655 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 p -167.14 150.44 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.15 0.98 . . . . 0.0 111.158 169.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.75 -15.38 0.42 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.985 1.714 . . . . 0.0 114.101 173.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -143.06 -51.63 0.36 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 127.324 2.249 . . . . 0.0 110.019 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 O-C-N 121.025 -1.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 118.836 -0.602 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.3 t -66.43 148.22 52.18 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.662 1.585 . . . . 0.0 113.937 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.53 162.47 22.9 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 115.731 1.052 . . . . 0.0 115.731 167.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.9 mt -147.18 158.1 44.96 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 126.82 2.048 . . . . 0.0 111.36 178.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -63.61 -30.98 70.77 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.514 2.143 . . . . 0.0 112.308 168.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . 0.296 1.0 OUTLIER 58.51 -12.02 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 164.365 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 p -131.28 132.83 44.85 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.497 1.499 . . . . 0.0 111.741 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.9 tp -63.09 -32.57 73.98 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -169.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -49.82 -40.22 33.65 Favored Glycine 0 CA--C 1.54 1.636 0 CA-C-N 119.085 0.857 . . . . 0.0 114.569 176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -65.58 -37.93 88.06 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.18 0.99 . . . . 0.0 113.345 175.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -72.53 -39.21 67.7 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.16 0.584 . . . . 0.0 111.632 175.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.58 -40.57 75.45 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.355 0.98 . . . . 0.0 112.691 173.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -63.7 -47.06 82.66 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.106 0.562 . . . . 0.0 110.48 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 tpp85 -59.06 -46.07 89.19 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.23 1.012 . . . . 0.0 112.096 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.15 -40.79 78.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.836 1.254 . . . . 0.0 113.6 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -65.06 -26.87 68.43 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.406 173.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -74.72 -42.57 58.09 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 167.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.427 ' CD1' ' HE1' ' B' ' 11' ' ' TYS . 4.4 m-85 -57.35 -28.68 63.35 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 172.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.76 -50.99 64.66 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 120.867 -1.145 . . . . 0.0 113.116 167.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -70.72 -34.98 72.48 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -175.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -68.39 -32.81 73.14 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.914 1.286 . . . . 0.0 113.339 171.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -112.43 -22.09 5.93 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 116.447 1.339 . . . . 0.0 116.447 -162.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.1 p -105.69 161.95 13.95 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.515 1.126 . . . . 0.0 112.715 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -64.16 -37.26 86.82 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.856 -0.527 . . . . 0.0 111.383 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -157.48 115.01 3.06 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.824 1.65 . . . . 0.0 112.903 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -61.73 -31.05 71.19 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.794 1.238 . . . . 0.0 114.2 170.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.8 -13.41 62.1 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -164.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -78.09 -19.25 54.56 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.505 1.048 . . . . 0.0 113.003 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 97.0 m-85 -78.95 150.15 32.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.939 0.896 . . . . 0.0 111.209 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -123.85 -29.43 3.68 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -176.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -151.04 172.24 16.05 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 122.078 0.942 . . . . 0.0 112.64 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -142.57 157.99 44.13 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 126.119 1.767 . . . . 0.0 111.13 177.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.643 HG11 HD23 ' B' ' 20' ' ' LEU . 10.8 p -139.12 141.99 34.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.431 1.493 . . . . 0.0 109.306 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.2 mt -128.7 119.82 50.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -164.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.2 mt -105.87 132.89 51.43 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 124.419 1.087 . . . . 0.0 108.755 174.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.2 p -118.58 168.26 10.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.641 0.776 . . . . 0.0 111.178 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -61.64 171.88 1.41 Allowed 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.681 -0.637 . . . . 0.0 110.389 160.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 56.52 32.74 21.36 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.659 1.183 . . . . 0.0 112.926 -177.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt 63.45 21.69 12.88 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 130.191 3.396 . . . . 0.0 117.538 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.0 152.25 41.87 Favored Glycine 0 CA--C 1.54 1.629 0 N-CA-C 115.746 1.058 . . . . 0.0 115.746 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -142.97 136.74 28.81 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 128.544 2.738 . . . . 0.0 107.286 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -146.03 144.45 30.08 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.95 1.3 . . . . 0.0 109.613 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -134.99 139.29 44.77 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 119.791 1.178 . . . . 0.0 112.965 -178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.0 t -146.46 126.31 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.689 1.196 . . . . 0.0 111.193 -171.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -70.05 139.12 52.58 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.849 0.86 . . . . 0.0 112.236 169.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.6 mt -93.83 -14.0 26.64 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.328 2.251 . . . . 0.0 112.864 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -66.56 -12.47 57.92 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.379 -0.826 . . . . 0.0 112.762 170.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.8 p -145.69 146.75 30.41 Favored Pre-proline 0 C--O 1.238 0.461 0 C-N-CA 126.274 1.83 . . . . 0.0 110.489 -166.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.71 144.35 99.53 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.74 2.294 . . . . 0.0 110.879 163.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -68.48 131.24 44.93 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.785 0.72 . . . . 0.0 111.756 177.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.18 163.07 8.66 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -173.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.76 -34.54 53.53 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 -170.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -78.2 -36.0 47.84 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.884 -1.135 . . . . 0.0 111.831 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.22 -26.85 65.01 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.635 1.574 . . . . 0.0 111.746 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -59.32 -29.59 67.75 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.255 1.022 . . . . 0.0 112.733 170.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -127.67 5.99 6.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.727 1.211 . . . . 0.0 114.081 -164.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.8 p -57.88 141.32 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.754 1.222 . . . . 0.0 110.793 168.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -78.16 127.93 33.01 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.628 1.171 . . . . 0.0 111.313 -167.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.83 120.27 23.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.62 0.768 . . . . 0.0 110.953 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.47 -31.74 69.0 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.649 1.579 . . . . 0.0 114.011 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.88 -175.91 39.22 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.913 1.244 . . . . 0.0 111.695 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -57.16 145.25 31.94 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.784 0.834 . . . . 0.0 111.237 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -57.2 116.69 3.42 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 167.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.35 -55.69 3.56 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -154.44 142.05 19.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.078 0.951 . . . . 0.0 110.948 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.2 m -117.32 146.06 43.6 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.808 1.243 . . . . 0.0 109.194 173.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -128.44 148.09 50.7 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.087 1.755 . . . . 0.0 110.971 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -137.67 140.24 40.7 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.675 1.19 . . . . 0.0 112.03 -168.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.427 ' HE1' HG12 ' A' ' 63' ' ' VAL . 27.7 m-85 -129.13 130.37 46.35 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.083 1.353 . . . . 0.0 110.821 -165.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 16.5 mttt -75.43 162.02 28.72 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.201 0.6 . . . . 0.0 112.222 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -46.72 108.25 0.13 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.438 1.895 . . . . 0.0 112.168 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.14 23.31 41.4 Favored Glycine 0 CA--C 1.535 1.283 0 N-CA-C 115.982 1.153 . . . . 0.0 115.982 177.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -120.69 170.79 9.1 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.202 1.501 . . . . 0.0 112.554 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.3 p -142.59 -4.45 0.97 Allowed 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -167.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -130.24 135.99 48.72 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.157 1.783 . . . . 0.0 107.866 167.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.7 p -61.85 166.39 4.52 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -168.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.6 t -133.44 -12.79 2.7 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 170.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.46 ' CE2' HD11 ' A' ' 110' ' ' ILE . 72.0 t80 -135.14 141.77 46.03 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.131 1.372 . . . . 0.0 108.484 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.514 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.0 OUTLIER -150.94 154.77 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 126.285 1.834 . . . . 0.0 110.845 -172.476 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.46 HD11 ' CE2' ' A' ' 108' ' ' TYR . 8.1 mt -148.8 141.78 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 123.808 0.843 . . . . 0.0 108.877 -171.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -99.18 158.0 15.98 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.406 1.482 . . . . 0.0 110.543 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.61 -172.22 12.5 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 121.307 -0.871 . . . . 0.0 114.203 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -79.9 30.87 0.48 Allowed 'Trans proline' 0 CA--C 1.549 1.24 0 C-N-CA 123.837 3.025 . . . . 0.0 113.518 -174.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.37 156.94 21.53 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 127.185 2.326 . . . . 0.0 110.961 171.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -129.0 -18.21 3.78 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.588 1.555 . . . . 0.0 113.671 -160.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.7 t -157.32 143.61 17.9 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.086 1.355 . . . . 0.0 109.628 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -70.22 -31.25 68.59 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.351 -0.843 . . . . 0.0 111.536 173.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.31 78.69 3.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.998 1.719 . . . . 0.0 112.192 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.273 91.7 m-85 47.33 49.49 15.52 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.952 1.701 . . . . 0.0 115.328 171.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 49.29 17.31 0.19 Allowed 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 118.638 2.829 . . . . 0.0 118.638 172.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 28.3 t80 . . . . . 0 C--O 1.256 1.397 0 C-N-CA 124.654 1.182 . . . . 0.0 112.483 175.3 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.166 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -146.25 21.3 1.38 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 128.572 2.749 . . . . 0.0 112.419 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -160.7 158.05 24.27 Favored Pre-proline 0 N--CA 1.48 1.051 0 C-N-CA 124.849 1.26 . . . . 0.0 111.581 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -50.53 174.39 0.06 OUTLIER 'Trans proline' 0 CA--C 1.543 0.956 1 C-N-CA 126.004 4.469 . . . . 0.0 116.345 166.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -79.28 68.3 5.24 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.387 -1.445 . . . . 0.0 113.214 -176.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . 0.427 ' HE1' ' CD1' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.71 171.02 0.46 Allowed Glycine 0 CA--C 1.536 1.402 1 CA-C-N 106.189 -5.005 . . . . 0.0 116.08 162.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.514 ' CD2' HG23 ' A' ' 109' ' ' VAL . 50.9 p-80 -149.03 144.87 26.99 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.265 -1.138 . . . . 0.0 113.51 175.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.34 174.7 5.75 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 -160.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -132.81 -24.06 1.97 Allowed 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.681 1.592 . . . . 0.0 112.981 168.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.61 -6.69 0.52 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 178.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -66.31 -21.54 66.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.039 0.936 . . . . 0.0 111.955 172.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.0 t -47.81 153.85 0.57 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 118.508 2.781 . . . . 0.0 118.508 -174.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.643 HD23 HG11 ' A' ' 63' ' ' VAL . 55.7 tp -104.38 128.98 52.32 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.462 1.905 . . . . 0.0 107.236 160.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 131.37 34.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 126.062 1.745 . . . . 0.0 110.437 160.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.7 mp -94.37 -29.52 14.96 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.545 -1.207 . . . . 0.0 112.242 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 173.76 -168.59 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 129.871 3.269 . . . . 0.0 106.614 -168.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 5.4 t -150.99 147.56 20.97 Favored Pre-proline 0 C--N 1.322 -0.599 0 C-N-CA 125.528 1.531 . . . . 0.0 108.366 166.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -69.9 -177.86 2.12 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.633 2.222 . . . . 0.0 112.674 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 p -32.69 136.24 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 127.58 2.352 . . . . 0.0 113.761 167.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -86.28 -13.63 46.09 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.377 -0.827 . . . . 0.0 112.847 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -152.54 115.6 4.64 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 127.447 2.299 . . . . 0.0 110.915 -172.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 120.223 -1.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.9 t -164.96 -58.58 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.507 1.123 . . . . 0.0 112.858 165.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.41 16.02 41.45 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 116.864 1.506 . . . . 0.0 116.864 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.5 mt -56.23 119.83 30.43 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 119.181 1.49 . . . . 0.0 111.286 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -78.28 153.68 27.96 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.84 2.36 . . . . 0.0 113.153 -171.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.2 t -163.5 25.16 0.08 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.299 1.44 . . . . 0.0 112.27 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.1 p -139.0 154.8 48.3 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.172 0.989 . . . . 0.0 111.486 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -56.83 -31.69 65.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 118.325 -0.845 . . . . 0.0 112.997 173.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -50.69 -27.62 13.3 Favored Glycine 0 CA--C 1.538 1.498 0 N-CA-C 115.844 1.098 . . . . 0.0 115.844 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -101.01 -45.15 5.5 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.426 1.113 . . . . 0.0 112.469 173.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.74 -42.1 96.67 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.94 -35.66 73.49 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.459 1.027 . . . . 0.0 112.312 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -72.35 -32.0 66.1 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.708 -0.62 . . . . 0.0 111.925 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 ttm-85 -73.99 -38.34 64.16 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.604 -0.685 . . . . 0.0 112.528 168.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.04 -34.11 72.84 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.546 1.521 . . . . 0.0 113.418 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -61.52 -36.98 82.06 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.966 0.803 . . . . 0.0 111.122 165.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -65.29 -46.14 81.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.07 -0.966 . . . . 0.0 111.687 170.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.449 ' HA ' ' HE1' ' B' ' 11' ' ' TYS . 33.1 m-85 -56.13 -31.65 63.51 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 120.445 1.475 . . . . 0.0 114.256 173.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mt -67.45 -51.01 56.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 119.77 1.168 . . . . 0.0 112.921 171.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -69.01 -35.37 76.6 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -82.73 -17.83 42.94 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.413 2.285 . . . . 0.0 113.347 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -124.89 0.94 8.48 Favored Glycine 0 CA--C 1.533 1.205 0 N-CA-C 116.477 1.351 . . . . 0.0 116.477 -172.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -125.83 166.52 16.7 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.513 1.657 . . . . 0.0 113.385 170.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -74.72 -34.49 62.58 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.284 1.034 . . . . 0.0 111.987 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -151.88 117.61 5.42 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.291 1.836 . . . . 0.0 111.045 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.3 p -83.54 -14.95 51.07 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.44 62.65 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.215 1.561 . . . . 0.0 115.215 -172.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -75.53 -18.92 59.65 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.732 1.213 . . . . 0.0 112.903 174.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -82.62 150.93 26.56 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.995 0.918 . . . . 0.0 112.096 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -132.55 -34.71 1.17 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.019 0.928 . . . . 0.0 112.556 -166.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -151.26 175.67 11.97 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.801 0.81 . . . . 0.0 112.266 171.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.3 ptt? -147.24 164.9 31.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.827 -1.533 . . . . 0.0 112.669 175.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.647 HG11 HD23 ' B' ' 20' ' ' LEU . 14.3 p -141.91 144.33 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 125.577 1.551 . . . . 0.0 109.403 174.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.4 mt -129.77 127.8 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 125.418 1.487 . . . . 0.0 107.834 -162.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.3 mt -111.71 123.86 51.12 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.354 1.062 . . . . 0.0 108.411 175.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.8 p -112.02 167.83 10.08 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 122.034 0.921 . . . . 0.0 111.763 -174.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -50.0 154.63 1.08 Allowed 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.621 160.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 56.25 36.67 27.86 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.975 1.31 . . . . 0.0 114.37 -175.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt 55.74 29.33 13.64 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.57 2.348 . . . . 0.0 115.674 172.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.29 147.95 46.61 Favored Glycine 0 CA--C 1.535 1.307 0 O-C-N 121.317 -0.864 . . . . 0.0 112.971 170.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -142.39 125.2 16.02 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 127.571 2.349 . . . . 0.0 108.075 177.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -144.81 144.13 30.99 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.009 1.324 . . . . 0.0 110.405 -173.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.0 t -135.16 140.42 45.37 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.521 1.055 . . . . 0.0 111.963 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.3 t -143.73 145.89 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 125.445 1.498 . . . . 0.0 108.625 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -91.58 142.74 27.31 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 122.18 0.991 . . . . 0.0 111.486 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.3 mt -87.6 -12.33 45.96 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.289 1.435 . . . . 0.0 111.633 176.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -56.39 -27.71 57.09 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.393 1.477 . . . . 0.0 114.111 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.1 p -148.87 163.03 27.44 Favored Pre-proline 0 C--O 1.239 0.546 0 C-N-CA 126.914 2.085 . . . . 0.0 108.687 -169.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -67.76 148.99 78.35 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.942 2.428 . . . . 0.0 110.255 160.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -68.16 153.18 44.26 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.5 159.53 34.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.416 1.086 . . . . 0.0 113.517 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -51.84 -31.79 29.14 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.799 1.239 . . . . 0.0 114.222 173.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -69.57 -10.68 59.17 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.365 1.466 . . . . 0.0 113.115 177.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -120.82 -23.89 5.82 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 126.786 2.034 . . . . 0.0 112.052 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -56.85 -29.11 62.55 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.731 -1.231 . . . . 0.0 113.207 169.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -122.81 9.43 9.46 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.196 1.398 . . . . 0.0 113.619 -170.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.1 p -70.7 131.11 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 119.296 0.953 . . . . 0.0 110.572 174.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.0 mp0 -78.03 119.87 22.06 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.659 -0.651 . . . . 0.0 111.686 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.38 137.38 56.84 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.255 1.422 . . . . 0.0 111.67 171.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.9 mt -67.38 -23.54 65.59 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.956 1.303 . . . . 0.0 114.134 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.16 -174.08 40.72 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 125.007 1.289 . . . . 0.0 112.599 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -57.8 145.6 34.43 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.288 1.035 . . . . 0.0 111.804 171.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -55.36 131.54 45.98 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.398 0.679 . . . . 0.0 109.591 166.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -123.96 -34.57 2.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 119.134 -0.46 . . . . 0.0 112.134 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -137.93 153.46 49.5 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.476 1.11 . . . . 0.0 110.561 166.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.3 m -136.47 144.8 44.56 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.218 1.007 . . . . 0.0 109.225 161.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CD2' ' CG1' ' A' ' 109' ' ' VAL . 59.4 m-85 -125.6 137.48 53.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.467 1.907 . . . . 0.0 109.682 -179.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -131.52 144.37 51.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.848 1.259 . . . . 0.0 112.32 -169.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -130.52 132.52 45.65 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.512 1.525 . . . . 0.0 110.191 -166.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.33 163.98 26.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.764 0.711 . . . . 0.0 111.413 173.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -50.52 106.77 0.13 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.406 1.083 . . . . 0.0 113.127 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 108.81 -11.05 34.99 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.927 1.727 . . . . 0.0 115.721 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -91.77 157.25 17.01 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.907 1.854 . . . . 0.0 114.897 -167.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.2 m -137.09 23.18 3.03 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 127.2 2.2 . . . . 0.0 113.014 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -148.04 140.07 24.08 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.067 1.747 . . . . 0.0 107.575 160.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.6 p -64.28 165.06 10.05 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -171.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.8 t -131.73 -10.24 3.52 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.996 1.319 . . . . 0.0 112.725 165.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -140.22 138.63 35.25 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.982 1.313 . . . . 0.0 109.101 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.488 HG23 ' CD2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -154.63 155.4 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 125.77 1.628 . . . . 0.0 112.585 -167.506 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -151.6 137.37 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 123.407 0.683 . . . . 0.0 109.379 -167.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -91.85 149.27 21.66 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.139 1.376 . . . . 0.0 110.374 172.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.35 177.95 18.16 Favored Glycine 0 N--CA 1.478 1.471 0 CA-C-O 118.913 -0.937 . . . . 0.0 115.289 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.55 26.34 0.39 Allowed 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 125.198 3.932 . . . . 0.0 116.117 -169.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.86 -165.62 41.45 Favored Glycine 0 CA--C 1.539 1.563 0 N-CA-C 108.352 -1.899 . . . . 0.0 108.352 160.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -138.39 -18.41 1.12 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.848 1.259 . . . . 0.0 112.932 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -166.02 172.98 10.85 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 128.268 2.627 . . . . 0.0 107.977 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -87.42 -31.49 20.03 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.946 -1.096 . . . . 0.0 111.73 161.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -84.16 73.93 10.35 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.075 1.35 . . . . 0.0 112.021 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 50.96 65.64 1.41 Allowed 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 163.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 45.77 23.42 0.16 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 119.249 3.055 . . . . 0.0 119.249 172.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--O 1.251 1.146 0 O-C-N 120.816 -1.178 . . . . 0.0 113.388 -178.262 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.7 t -152.67 10.37 0.48 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 116.181 1.919 . . . . 0.0 116.181 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 18.8 m -127.07 -47.62 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.166 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -169.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.46 177.68 0.4 Allowed 'Trans proline' 0 CA--C 1.548 1.224 0 C-N-CA 123.256 2.637 . . . . 0.0 118.145 -170.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -63.94 -50.54 68.26 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 124.022 1.868 . . . . 0.0 116.035 -171.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . 0.449 ' HE1' ' HA ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.09 170.94 0.01 OUTLIER Glycine 0 CA--C 1.536 1.349 1 CA-C-N 107.069 -4.605 . . . . 0.0 119.09 160.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.488 ' CD2' HG23 ' A' ' 109' ' ' VAL . 48.2 p-80 -149.38 150.97 33.28 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.757 1.223 . . . . 0.0 111.488 167.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.52 162.8 30.91 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.895 1.278 . . . . 0.0 113.667 -170.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -140.37 13.4 2.37 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.163 1.385 . . . . 0.0 112.887 170.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -168.6 -24.63 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.165 1.786 . . . . 0.0 114.148 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -59.64 -24.35 63.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.247 1.019 . . . . 0.0 113.405 172.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -41.95 157.24 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 131.424 3.89 . . . . 0.0 121.026 -174.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.647 HD23 HG11 ' A' ' 63' ' ' VAL . 39.2 tp -102.11 127.0 49.21 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 126.765 2.026 . . . . 0.0 107.858 160.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -91.79 113.8 26.16 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.719 2.408 . . . . 0.0 111.198 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.9 mp -87.33 -20.39 26.85 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.204 2.201 . . . . 0.0 112.52 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -74.89 171.2 14.46 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.373 1.469 . . . . 0.0 112.0 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.451 ' H ' ' HD2' ' B' ' 25' ' ' PRO . 0.2 OUTLIER -161.18 -51.25 0.01 OUTLIER Pre-proline 0 N--CA 1.473 0.724 0 C-N-CA 126.022 1.729 . . . . 0.0 114.061 -176.006 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.451 ' HD2' ' H ' ' B' ' 24' ' ' THR . 72.4 Cg_endo -74.28 148.38 38.72 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.298 1.999 . . . . 0.0 112.004 179.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.32 134.72 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.785 1.234 . . . . 0.0 109.91 172.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -64.03 -29.52 70.66 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -169.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -139.98 133.95 30.8 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 126.79 2.036 . . . . 0.0 110.349 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 121.196 -0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 118.68 -0.676 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -152.76 -12.63 0.17 Allowed 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 177.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.86 -168.78 29.99 Favored Glycine 0 CA--C 1.533 1.174 0 N-CA-C 116.343 1.297 . . . . 0.0 116.343 166.378 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.7 mt -131.26 149.97 75.17 Favored Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 128.263 2.625 . . . . 0.0 108.501 170.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -75.72 127.85 10.5 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.493 1.462 . . . . 0.0 113.263 -165.591 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -140.46 26.15 2.17 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.02 1.728 . . . . 0.0 110.173 161.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.0 p -136.7 143.91 43.62 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.752 -1.218 . . . . 0.0 111.538 176.024 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.16 -34.68 78.96 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -167.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.25 -44.03 89.28 Favored Glycine 0 N--CA 1.471 0.971 0 CA-C-N 120.219 1.372 . . . . 0.0 114.81 175.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -67.56 -37.93 83.39 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.858 0.863 . . . . 0.0 111.149 176.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.75 -41.97 91.51 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 174.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.77 -37.67 79.7 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.561 1.144 . . . . 0.0 112.448 174.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -67.99 -39.54 83.24 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.257 1.023 . . . . 0.0 111.469 176.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -65.16 -51.3 61.99 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.179 0.992 . . . . 0.0 112.296 170.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 mt -67.64 -33.47 75.03 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -175.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -62.8 -32.22 73.36 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 119.657 1.117 . . . . 0.0 111.169 169.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -74.48 -38.76 62.81 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 171.071 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.444 ' HA ' ' CE1' ' B' ' 11' ' ' TYS . 2.4 m-85 -64.37 -30.13 71.18 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.628 1.104 . . . . 0.0 113.639 172.064 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.54 -49.77 76.21 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.742 -1.224 . . . . 0.0 112.826 173.38 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.19 -46.39 90.67 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.327 0.651 . . . . 0.0 112.292 178.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -76.87 -18.25 58.46 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.16 -6.56 27.69 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 118.756 0.707 . . . . 0.0 114.01 -171.175 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.7 p -115.98 174.64 5.93 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 176.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -79.96 -40.62 27.64 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.894 0.878 . . . . 0.0 110.188 172.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.5 157.62 44.3 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.796 2.438 . . . . 0.0 109.729 168.627 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.9 t -126.21 -9.28 6.45 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -175.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.09 -26.35 66.68 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 -177.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.7 pm0 -83.45 -9.8 58.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.89 2.076 . . . . 0.0 113.127 -171.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.5 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 70.3 m-85 -74.33 155.34 38.29 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.66 1.184 . . . . 0.0 113.038 179.291 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -126.97 -39.92 1.91 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.139 1.376 . . . . 0.0 111.716 -170.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -156.43 175.1 14.47 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.735 1.214 . . . . 0.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -147.68 160.94 42.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.969 -1.469 . . . . 0.0 113.566 177.076 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.2 t -139.14 140.9 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 126.445 1.898 . . . . 0.0 109.97 176.646 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.81 138.62 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 126.028 1.731 . . . . 0.0 108.688 177.409 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.1 mt -119.92 118.81 31.7 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.591 1.156 . . . . 0.0 108.698 169.409 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.9 p -102.48 174.14 6.03 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.754 0.822 . . . . 0.0 112.12 -175.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -52.34 163.85 0.37 Allowed 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.451 -0.781 . . . . 0.0 110.343 160.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 60.34 32.21 20.63 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.398 1.079 . . . . 0.0 112.823 174.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt 52.0 27.51 4.49 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 129.5 3.12 . . . . 0.0 116.156 179.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -64.2 145.91 49.97 Favored Glycine 0 CA--C 1.537 1.45 0 O-C-N 121.592 -0.693 . . . . 0.0 113.4 172.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -137.1 132.65 34.38 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 127.516 2.326 . . . . 0.0 108.667 173.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -143.52 144.06 31.81 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.527 1.131 . . . . 0.0 110.493 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 t -135.92 143.07 44.76 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.605 0.762 . . . . 0.0 112.571 177.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.9 t -143.1 135.39 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.865 1.266 . . . . 0.0 108.459 175.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -76.36 153.07 36.1 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.16 0.981 . . . . 0.0 111.239 170.07 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -109.54 -15.35 14.21 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.656 1.982 . . . . 0.0 112.025 -178.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -58.56 -15.52 11.69 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 163.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 69.2 p -148.15 157.5 42.73 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.967 1.707 . . . . 0.0 110.752 -176.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -63.25 152.98 77.08 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.713 2.942 . . . . 0.0 112.881 162.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -61.2 151.89 30.25 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.31 156.9 35.1 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 174.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -55.52 -35.63 65.84 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 116.439 2.014 . . . . 0.0 116.439 -166.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -84.79 -25.41 28.2 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 120.774 1.625 . . . . 0.0 112.718 -174.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.2 mtt85 -62.1 -20.73 64.34 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.372 1.069 . . . . 0.0 111.816 168.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -65.14 -27.74 68.93 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.4 -0.813 . . . . 0.0 112.896 176.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -121.85 -7.38 9.0 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -167.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.32 126.3 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 119.035 0.834 . . . . 0.0 111.317 -178.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -70.61 125.94 28.22 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.392 1.077 . . . . 0.0 111.285 177.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.39 132.06 44.27 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.423 1.489 . . . . 0.0 111.46 -178.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 mt -60.52 -25.89 66.45 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.021 1.328 . . . . 0.0 113.815 178.001 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.55 -174.95 38.33 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 124.777 1.18 . . . . 0.0 113.817 177.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -68.66 154.38 42.03 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.241 1.416 . . . . 0.0 113.435 176.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.4 ttp -72.15 68.05 0.7 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.837 2.055 . . . . 0.0 114.901 -173.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -55.15 -44.3 75.0 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.618 -1.302 . . . . 0.0 113.823 178.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -157.44 153.4 27.1 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -177.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.0 m -137.45 151.01 48.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.362 1.465 . . . . 0.0 110.435 176.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -136.55 140.19 42.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.401 2.28 . . . . 0.0 110.36 -169.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -140.52 150.23 43.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.493 1.117 . . . . 0.0 112.784 -170.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.551 ' CZ ' HD13 ' B' ' 22' ' ' LEU . 14.8 m-85 -139.63 131.55 27.72 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.681 1.193 . . . . 0.0 109.544 -164.481 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -70.87 169.62 14.33 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 118.947 0.794 . . . . 0.0 112.818 171.915 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.45 40.73 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 130.046 3.338 . . . . 0.0 114.555 174.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.87 30.31 0.02 OUTLIER Glycine 0 CA--C 1.536 1.359 0 C-N-CA 127.48 2.467 . . . . 0.0 113.192 -165.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -141.73 151.05 42.58 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.964 1.306 . . . . 0.0 112.513 179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.9 p -136.25 9.28 3.21 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.626 1.171 . . . . 0.0 113.173 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -129.55 125.41 36.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.976 1.311 . . . . 0.0 108.425 163.293 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.5 p -62.7 115.16 4.06 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -164.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.3 p -72.03 -25.57 61.86 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 169.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -125.66 141.75 51.86 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.574 1.15 . . . . 0.0 110.069 -176.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.414 HG23 ' NE2' ' B' ' 13' ' ' HIS . 3.9 m -146.03 161.79 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 126.213 1.805 . . . . 0.0 111.564 -175.684 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.5 mt -143.38 130.14 17.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 176.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -96.72 147.62 23.73 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.416 0.686 . . . . 0.0 109.343 176.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.77 -174.17 25.28 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 121.79 -0.569 . . . . 0.0 114.512 -171.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -67.55 122.97 10.23 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.003 2.468 . . . . 0.0 111.623 -175.04 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.28 -26.59 0.42 Allowed Glycine 0 CA--C 1.534 1.268 0 C-N-CA 125.427 1.489 . . . . 0.0 114.478 174.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? 59.4 -19.93 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 128.8 2.84 . . . . 0.0 117.688 178.465 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -166.72 154.31 9.54 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.963 1.256 . . . . 0.0 110.653 177.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -77.83 -29.44 50.56 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.986 -0.446 . . . . 0.0 111.835 167.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -76.48 84.5 3.19 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.25 1.02 . . . . 0.0 111.942 176.194 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 45.33 52.7 8.68 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.907 1.683 . . . . 0.0 115.443 161.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 47.85 31.07 2.12 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 118.422 2.749 . . . . 0.0 118.422 174.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--O 1.253 1.28 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 178.186 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.5 t -157.74 170.63 21.94 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.493 ' H ' ' CD ' ' B' ' 9' ' ' PRO . 9.8 t -165.98 -32.84 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.396 0 N-CA-C 117.89 2.552 . . . . 0.0 117.89 -178.754 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.493 ' CD ' ' H ' ' B' ' 8' ' ' THR . 15.7 Cg_endo -90.39 179.49 1.88 Allowed 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 123.316 2.677 . . . . 0.0 112.552 -173.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -70.63 122.62 20.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.245 -0.909 . . . . 0.0 108.843 166.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.79 166.48 32.74 Favored Glycine 0 N--CA 1.439 -1.137 0 CA-C-N 113.624 -1.626 . . . . 0.0 116.143 167.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.414 ' NE2' HG23 ' A' ' 109' ' ' VAL . 44.8 p-80 -155.3 154.55 32.27 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.861 1.264 . . . . 0.0 112.768 174.054 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . 0.487 ' H ' ' HD1' ' B' ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -150.57 166.74 29.34 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.833 -1.167 . . . . 0.0 111.648 -169.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -134.38 2.32 3.25 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.214 1.405 . . . . 0.0 114.313 -174.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -138.37 -39.94 0.52 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.871 1.268 . . . . 0.0 112.81 -170.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.01 12.16 16.28 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.801 1.64 . . . . 0.0 112.223 177.111 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -62.04 157.77 18.07 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.866 2.066 . . . . 0.0 114.337 172.422 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.3 tp -102.69 127.44 49.81 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.155 1.782 . . . . 0.0 108.934 164.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -91.14 105.93 18.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.796 2.039 . . . . 0.0 112.102 172.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 5.2 mp -79.25 -28.26 42.43 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.928 1.691 . . . . 0.0 114.582 -176.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -54.17 117.98 3.7 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.671 1.188 . . . . 0.0 111.542 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.637 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 13.4 t -156.23 -21.83 0.0 OUTLIER Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 -166.134 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.637 ' CD ' ' H ' ' B' ' 24' ' ' THR . 68.1 Cg_endo -74.17 131.36 15.24 Favored 'Trans proline' 0 C--N 1.356 0.97 0 CA-C-N 123.309 2.217 . . . . 0.0 111.171 -175.353 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 p -142.1 35.07 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.289 1.436 . . . . 0.0 111.523 -169.081 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -145.42 -51.0 0.25 Allowed 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.108 1.363 . . . . 0.0 113.708 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -142.87 76.98 1.55 Allowed 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 123.262 1.506 . . . . 0.0 110.825 -178.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 120.459 -1.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.5 t -141.37 16.86 2.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.269 1.028 . . . . 0.0 113.4 -166.254 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.29 156.36 27.88 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 125.437 1.494 . . . . 0.0 112.054 -173.17 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.7 mt -144.02 151.73 53.14 Favored Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 125.315 1.446 . . . . 0.0 110.298 177.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -75.5 176.73 9.59 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 123.908 3.072 . . . . 0.0 113.461 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.0 p -144.59 -8.07 0.66 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.936 1.694 . . . . 0.0 115.077 -176.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.1 p -129.54 151.86 49.69 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.683 1.583 . . . . 0.0 113.979 -173.355 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 -30.92 68.79 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.658 -174.772 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.52 -41.45 64.18 Favored Glycine 0 CA--C 1.532 1.112 0 O-C-N 121.142 -0.974 . . . . 0.0 114.161 176.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -76.39 -37.94 56.44 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.777 0.831 . . . . 0.0 112.145 175.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 55.8 tp -68.95 -42.7 76.34 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 179.182 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.15 -41.94 76.2 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.648 1.179 . . . . 0.0 112.067 172.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.02 -40.4 97.62 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.734 0.414 . . . . 0.0 111.32 175.308 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -66.15 -43.45 87.0 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.194 -0.942 . . . . 0.0 112.629 172.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.0 mt -69.46 -33.79 73.44 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.003 -1.061 . . . . 0.0 113.197 -178.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -67.29 -35.32 79.23 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.137 0.88 . . . . 0.0 111.124 169.628 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -64.21 -47.11 80.99 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.456 0.571 . . . . 0.0 111.654 169.05 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -57.36 -35.16 69.59 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 174.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.92 -49.74 69.24 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 120.024 1.284 . . . . 0.0 112.61 174.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -67.8 -40.85 83.86 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -65.17 -41.43 94.65 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 171.002 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.42 -12.23 39.24 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 116.27 1.268 . . . . 0.0 116.27 -160.29 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.5 p -118.76 154.39 32.87 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.948 1.374 . . . . 0.0 112.008 177.19 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -71.53 -30.52 66.01 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.233 1.013 . . . . 0.0 112.219 177.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -148.97 111.22 4.67 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.035 1.734 . . . . 0.0 112.073 167.13 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.3 p -71.32 -17.36 62.45 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 175.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.35 -7.51 53.11 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -169.337 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -83.86 -17.28 41.42 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.646 1.178 . . . . 0.0 114.063 -178.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.3 m-85 -80.18 154.75 27.78 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.589 0.756 . . . . 0.0 112.628 -174.549 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -122.61 -28.55 4.19 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -179.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.3 pttm -157.88 171.28 20.57 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.687 1.595 . . . . 0.0 111.964 177.251 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -145.74 158.37 43.86 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 126.733 2.013 . . . . 0.0 111.348 175.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.622 HG11 HD23 ' B' ' 20' ' ' LEU . 13.7 p -142.95 138.68 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.104 1.362 . . . . 0.0 109.798 -178.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.1 mt -126.01 128.84 72.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.686 1.594 . . . . 0.0 108.335 -160.167 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -118.29 118.22 31.21 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.564 1.146 . . . . 0.0 109.617 178.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.6 p -107.97 176.52 5.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.878 0.871 . . . . 0.0 111.934 -175.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.27 172.62 0.06 Allowed 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.092 -1.005 . . . . 0.0 111.379 160.033 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 53.11 31.82 11.99 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.114 1.366 . . . . 0.0 113.504 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 61.3 24.48 14.58 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.694 1.998 . . . . 0.0 113.327 174.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.14 143.13 44.19 Favored Glycine 0 CA--C 1.533 1.187 0 O-C-N 121.376 -0.827 . . . . 0.0 113.147 175.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -143.77 128.83 18.6 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.797 2.439 . . . . 0.0 107.448 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -144.97 143.52 30.57 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.817 1.247 . . . . 0.0 110.195 -177.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.6 t -128.91 140.1 51.83 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.918 0.887 . . . . 0.0 111.613 -177.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.1 t -143.05 127.8 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 125.85 1.66 . . . . 0.0 110.404 -172.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -77.73 142.8 38.51 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.061 0.934 . . . . 0.0 111.713 170.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.2 mt -107.57 -11.65 15.43 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.453 1.901 . . . . 0.0 112.69 -178.604 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -66.15 -6.38 13.2 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.124 0.875 . . . . 0.0 113.036 167.246 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.5 p -146.52 154.19 48.39 Favored Pre-proline 0 CA--C 1.541 0.617 0 C-N-CA 127.545 2.338 . . . . 0.0 110.154 -174.132 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -66.53 155.55 69.68 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 123.761 2.974 . . . . 0.0 112.844 165.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.76 155.87 34.84 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.881 0.872 . . . . 0.0 111.929 168.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.17 161.75 29.38 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.285 1.434 . . . . 0.0 111.19 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -52.18 -40.46 61.53 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 -163.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -71.28 -12.86 61.67 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.944 -1.097 . . . . 0.0 113.177 -178.355 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 -106.23 -31.11 8.8 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.833 2.453 . . . . 0.0 111.096 174.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.24 -45.03 93.48 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.526 1.13 . . . . 0.0 111.438 172.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.3 4.33 10.93 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.266 1.426 . . . . 0.0 114.345 -174.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 63.0 t -70.32 117.06 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 125.244 1.418 . . . . 0.0 110.932 -176.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -67.53 124.92 24.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.493 1.117 . . . . 0.0 111.037 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.17 124.4 28.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.754 1.621 . . . . 0.0 111.313 179.234 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.18 -22.59 66.03 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.058 1.743 . . . . 0.0 114.87 179.038 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.17 -170.64 37.02 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.339 0.971 . . . . 0.0 115.521 175.497 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.67 152.47 22.42 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.346 1.858 . . . . 0.0 113.04 173.041 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 22.0 ttp -74.23 62.73 0.96 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 128.465 2.706 . . . . 0.0 114.073 -171.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -60.82 -40.0 91.1 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 120.698 -1.251 . . . . 0.0 114.026 -173.354 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -153.46 146.57 24.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.453 0.701 . . . . 0.0 112.1 -176.064 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.8 m -138.6 146.02 41.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.921 1.288 . . . . 0.0 110.372 167.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -123.78 145.05 49.32 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.57 1.948 . . . . 0.0 111.707 179.078 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -137.4 145.1 42.81 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.719 1.608 . . . . 0.0 112.613 -172.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.409 ' HE1' HG12 ' A' ' 63' ' ' VAL . 15.5 m-85 -133.28 134.97 44.59 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.54 1.536 . . . . 0.0 110.593 -165.008 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -76.49 158.26 31.43 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.455 1.025 . . . . 0.0 111.822 176.865 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -46.72 112.93 0.57 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.468 1.507 . . . . 0.0 111.485 174.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.63 -8.37 61.82 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.307 1.432 . . . . 0.0 116.123 179.079 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -89.72 176.3 6.91 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.322 1.561 . . . . 0.0 112.839 -177.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.0 p -148.8 13.05 0.9 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 171.043 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -131.42 138.37 49.05 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.324 -1.485 . . . . 0.0 108.132 164.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 p -63.82 160.63 16.97 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -169.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.8 t -130.98 -22.82 2.54 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.37 1.468 . . . . 0.0 112.633 174.36 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -124.68 144.0 50.45 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.338 1.055 . . . . 0.0 108.692 176.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' B' ' 13' ' ' HIS . 2.1 m -149.02 153.63 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 125.611 1.564 . . . . 0.0 111.519 -172.747 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.7 mt -142.71 134.02 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -178.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -109.16 151.11 26.9 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 124.197 0.999 . . . . 0.0 109.363 -175.014 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.81 -167.86 21.0 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.383 -0.823 . . . . 0.0 114.682 -177.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.6 144.4 89.75 Favored 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 122.353 2.035 . . . . 0.0 110.583 -177.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.0 -26.58 1.01 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.685 2.088 . . . . 0.0 113.45 170.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 60.27 -22.55 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 129.971 3.309 . . . . 0.0 116.76 -174.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.1 t -165.64 152.03 9.73 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.714 1.606 . . . . 0.0 109.49 -179.467 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -75.58 -27.37 58.53 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.834 -0.542 . . . . 0.0 112.39 165.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -81.38 28.85 0.37 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.605 1.962 . . . . 0.0 114.159 -166.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 66.2 t80 61.47 137.06 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.159 2.584 . . . . 0.0 114.218 -168.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.68 52.02 2.28 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -163.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 61.4 t80 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 124.786 1.235 . . . . 0.0 113.262 175.959 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 14.3 t -150.0 153.53 36.69 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.054 1.342 . . . . 0.0 112.294 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.541 ' H ' ' CD ' ' B' ' 9' ' ' PRO . 3.6 t -145.4 -22.32 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.953 0 N-CA-C 118.213 2.672 . . . . 0.0 118.213 175.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.541 ' CD ' ' H ' ' B' ' 8' ' ' THR . 56.3 Cg_endo -82.3 74.2 5.26 Favored 'Trans proline' 0 C--N 1.353 0.792 0 CA-C-N 124.229 2.546 . . . . 0.0 113.931 -168.112 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -139.62 71.46 1.38 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.92 2.088 . . . . 0.0 107.943 168.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.81 166.36 1.83 Allowed Glycine 0 N--CA 1.434 -1.496 1 CA-C-N 105.062 -5.517 . . . . 0.0 114.162 160.14 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.48 ' CD2' HG23 ' A' ' 109' ' ' VAL . 34.9 p-80 -158.73 154.15 25.83 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.944 0.878 . . . . 0.0 110.529 169.545 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -148.31 164.11 35.01 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 119.726 -1.859 . . . . 0.0 108.742 -173.17 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -136.99 -21.37 1.22 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.941 1.296 . . . . 0.0 112.464 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -80.57 -49.35 11.42 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 125.229 1.412 . . . . 0.0 111.965 -179.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -73.42 -13.6 61.1 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -176.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -45.39 147.8 0.75 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 -168.285 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.622 HD23 HG11 ' A' ' 63' ' ' VAL . 45.7 tp -93.93 129.05 40.52 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 164.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -99.39 102.89 14.62 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.959 2.103 . . . . 0.0 111.268 176.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -76.1 22.77 0.15 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.304 2.641 . . . . 0.0 113.643 177.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -135.97 138.69 42.55 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.319 1.448 . . . . 0.0 110.899 -173.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.583 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 10.0 p -143.85 -28.38 0.0 OUTLIER Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 118.014 2.598 . . . . 0.0 118.014 -167.076 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.583 ' CD ' ' H ' ' B' ' 24' ' ' THR . 79.2 Cg_endo -84.0 154.63 13.05 Favored 'Trans proline' 0 C--N 1.352 0.736 0 CA-C-N 122.843 2.051 . . . . 0.0 113.924 -170.067 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.58 147.09 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.873 1.269 . . . . 0.0 111.888 -174.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -63.28 -37.2 86.32 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.355 1.062 . . . . 0.0 113.339 -176.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -158.91 149.71 20.0 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.112 2.165 . . . . 0.0 109.953 165.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 120.976 -1.077 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 118.966 -0.54 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 t -158.28 -36.73 0.07 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 170.523 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.02 132.58 2.75 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.349 0.976 . . . . 0.0 112.897 176.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.0 mt -143.11 88.5 8.19 Favored Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 126.649 1.979 . . . . 0.0 106.95 177.006 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.9 122.45 8.15 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.086 1.857 . . . . 0.0 111.843 -158.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.6 t -129.9 20.95 5.43 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.709 1.604 . . . . 0.0 111.075 173.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.9 p -133.57 141.41 47.69 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.096 0.958 . . . . 0.0 111.298 175.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -34.48 70.4 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.266 0.627 . . . . 0.0 112.336 -176.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.89 -35.64 40.26 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-O 118.83 -0.983 . . . . 0.0 115.418 175.395 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -84.75 -31.12 24.16 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.863 1.331 . . . . 0.0 112.786 175.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.9 tp -70.62 -42.17 71.27 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.259 0.623 . . . . 0.0 111.929 176.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.42 -41.23 79.99 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.331 1.452 . . . . 0.0 112.293 176.163 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -60.88 -35.96 77.97 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.012 0.925 . . . . 0.0 111.496 175.573 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -50.18 29.67 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 123.077 0.551 . . . . 0.0 111.628 172.119 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.62 -37.57 86.83 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.556 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -67.97 -27.76 66.86 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.146 -0.971 . . . . 0.0 112.202 174.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -75.97 -38.42 57.52 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 167.043 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -59.18 -36.88 76.11 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 121.388 -0.82 . . . . 0.0 112.108 175.341 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.1 mt -55.87 -39.47 71.56 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 171.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -71.82 -45.98 59.67 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.466 1.03 . . . . 0.0 112.126 178.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -63.17 -23.46 67.45 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.177 1.391 . . . . 0.0 114.634 171.042 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' HA3' ' HA3' ' B' ' 12' ' ' GLY . . . -116.62 -13.68 7.89 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 115.71 1.044 . . . . 0.0 115.71 -160.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.4 p -130.08 164.14 25.03 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.999 1.4 . . . . 0.0 112.647 177.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -65.58 -43.38 89.91 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 121.999 -0.438 . . . . 0.0 111.105 167.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -155.13 105.79 2.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.946 1.298 . . . . 0.0 112.99 -171.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 t -61.9 -24.63 67.07 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 176.196 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.11 -5.32 17.17 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -167.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -85.49 -19.34 31.37 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.799 -1.188 . . . . 0.0 113.562 174.043 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 94.2 m-85 -84.08 146.4 27.94 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.014 0.825 . . . . 0.0 112.185 -174.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -124.27 -24.19 4.36 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -153.3 172.75 16.55 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 167.202 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -145.43 161.02 40.69 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 127.118 2.167 . . . . 0.0 112.015 177.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.675 HG11 HD23 ' B' ' 20' ' ' LEU . 12.2 p -141.53 121.51 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 124.914 1.286 . . . . 0.0 111.449 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.69 133.65 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.3 1.44 . . . . 0.0 109.063 -178.081 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.12 122.14 42.33 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.846 1.258 . . . . 0.0 109.994 173.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 50.0 p -111.41 174.45 5.86 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.057 0.943 . . . . 0.0 112.789 -172.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -52.41 166.07 0.21 Allowed 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.252 -0.905 . . . . 0.0 110.614 160.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 54.81 36.29 26.12 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.518 1.127 . . . . 0.0 113.078 178.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt 60.87 20.21 10.46 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.824 2.049 . . . . 0.0 114.374 171.676 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -65.02 142.67 45.28 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 121.552 -0.717 . . . . 0.0 112.861 175.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -145.55 126.96 14.95 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.663 2.385 . . . . 0.0 107.284 -178.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -144.03 111.99 6.23 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.748 0.819 . . . . 0.0 111.477 -172.077 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 t -92.85 139.84 30.13 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.787 0.721 . . . . 0.0 111.482 175.381 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.2 t -145.88 134.26 16.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 126.152 1.781 . . . . 0.0 109.668 -177.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -85.82 148.12 25.98 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 122.82 1.295 . . . . 0.0 111.665 178.136 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 82.2 mt -109.54 -4.12 16.47 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.331 1.853 . . . . 0.0 113.16 -174.568 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -65.65 -28.5 69.14 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.365 0.666 . . . . 0.0 112.432 170.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.3 p -146.01 151.47 45.21 Favored Pre-proline 0 N--CA 1.472 0.637 0 C-N-CA 125.488 1.515 . . . . 0.0 109.988 -179.808 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.67 134.03 60.35 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.524 2.816 . . . . 0.0 112.491 168.21 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -63.67 153.47 36.03 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -164.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.96 156.28 31.73 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.404 1.481 . . . . 0.0 114.811 -177.002 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -56.9 -36.3 69.99 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -174.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -37.71 78.8 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.56 1.073 . . . . 0.0 110.819 176.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -73.98 -31.12 62.84 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.644 1.178 . . . . 0.0 111.913 176.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 43.9 mttm -59.71 -22.17 61.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.181 -0.95 . . . . 0.0 112.883 168.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -124.12 17.73 9.19 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.632 1.573 . . . . 0.0 112.925 -171.007 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.05 136.79 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-N 119.061 0.846 . . . . 0.0 109.078 169.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -86.63 150.76 23.98 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.621 0.724 . . . . 0.0 111.964 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.4 mt -94.73 122.55 37.45 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.437 1.495 . . . . 0.0 110.744 -173.147 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 mt -60.79 -23.77 65.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.101 1.36 . . . . 0.0 113.846 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.51 -172.75 37.18 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 124.569 1.08 . . . . 0.0 113.667 175.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -67.74 155.62 38.84 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.127 1.371 . . . . 0.0 113.628 177.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 15.8 ttp -74.37 67.94 1.48 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 127.162 2.185 . . . . 0.0 114.296 -171.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.29 -41.63 80.14 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 120.675 -1.265 . . . . 0.0 113.947 178.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -157.89 157.98 34.2 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 60.2 m -141.07 146.7 37.49 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.415 1.486 . . . . 0.0 110.542 169.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.55 146.03 49.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.255 1.822 . . . . 0.0 111.256 179.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -133.69 151.32 51.61 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.771 1.228 . . . . 0.0 112.901 -171.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -136.68 129.1 30.14 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.026 0.93 . . . . 0.0 110.974 -166.021 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -73.39 165.1 25.69 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 179.056 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -60.26 54.48 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 129.067 2.947 . . . . 0.0 116.663 178.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 151.17 24.52 0.05 OUTLIER Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.237 1.875 . . . . 0.0 113.564 -177.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -141.45 154.26 45.47 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.317 1.559 . . . . 0.0 111.821 -171.171 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.9 m -142.92 12.93 1.86 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -173.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -125.92 131.16 52.37 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 159.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.8 t -63.09 155.5 27.69 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -172.513 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 54.0 m -131.14 0.99 4.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.275 1.83 . . . . 0.0 112.732 168.207 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -143.76 132.79 22.87 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.917 1.287 . . . . 0.0 109.642 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG23 ' NE2' ' B' ' 13' ' ' HIS . 1.7 m -146.85 162.11 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 125.432 1.493 . . . . 0.0 111.734 -168.728 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 36.3 mt -143.88 130.44 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 126.053 1.741 . . . . 0.0 106.332 -172.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -111.45 153.36 26.24 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.502 0.592 . . . . 0.0 109.479 177.315 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.04 -167.48 18.23 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 114.154 0.422 . . . . 0.0 114.154 -176.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.79 136.35 25.23 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.953 2.435 . . . . 0.0 111.554 -176.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.27 -17.14 0.21 Allowed Glycine 0 CA--C 1.537 1.424 0 C-N-CA 126.545 2.021 . . . . 0.0 114.684 174.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 63.95 -29.7 0.1 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.061 2.544 . . . . 0.0 116.362 -178.073 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -168.15 156.84 9.03 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.884 1.674 . . . . 0.0 109.778 178.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -76.55 -30.25 57.02 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 121.32 -0.863 . . . . 0.0 112.873 165.052 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -88.97 46.27 1.37 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.56 1.544 . . . . 0.0 112.455 -164.237 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . 0.271 6.7 p90 47.97 128.11 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 129.877 3.271 . . . . 0.0 117.225 -170.328 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -77.05 87.45 3.55 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.274 1.43 . . . . 0.0 111.283 177.146 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 26.3 t80 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.346 1.458 . . . . 0.0 111.702 176.933 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.3 t -51.0 152.33 2.24 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.748 1.219 . . . . 0.0 113.229 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 43.3 m -155.37 153.4 26.64 Favored Pre-proline 0 N--CA 1.478 0.961 0 O-C-N 120.641 -1.287 . . . . 0.0 109.828 -176.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.37 156.24 0.14 Allowed 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.29 2.66 . . . . 0.0 113.869 160.269 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -79.79 95.75 6.1 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 172.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.413 ' HA3' ' HA3' ' A' ' 52' ' ' GLY . . . -175.85 114.12 0.47 Allowed Glycine 0 N--CA 1.436 -1.332 0 CA-C-N 109.631 -3.44 . . . . 0.0 113.088 -161.307 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.476 ' NE2' HG23 ' A' ' 109' ' ' VAL . 49.3 p-80 -149.26 152.17 35.48 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 122.451 1.119 . . . . 0.0 112.582 170.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.16 169.98 8.41 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -162.421 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -143.25 21.66 1.89 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.231 1.012 . . . . 0.0 112.456 174.432 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -167.55 -18.13 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 117.466 2.395 . . . . 0.0 117.466 -164.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -105.67 -20.44 13.46 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.965 1.306 . . . . 0.0 113.037 -178.006 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.2 t -36.09 145.93 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 -174.518 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.675 HD23 HG11 ' A' ' 63' ' ' VAL . 61.3 tp -92.02 120.68 32.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 162.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -78.64 132.85 37.23 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.971 1.709 . . . . 0.0 110.007 163.251 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 tp -118.0 -5.46 10.99 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 -164.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.65 -5.96 0.15 Allowed 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 119.455 3.131 . . . . 0.0 119.455 -169.403 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 5.2 t 32.64 62.09 1.41 Allowed Pre-proline 0 N--CA 1.491 1.61 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 177.452 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -76.29 166.88 26.84 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 124.653 3.569 . . . . 0.0 114.685 -167.094 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -154.1 154.28 7.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.975 1.31 . . . . 0.0 111.448 176.228 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -134.92 -26.37 1.34 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.901 1.68 . . . . 0.0 113.561 171.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -154.4 110.14 3.19 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.564 2.345 . . . . 0.0 108.531 -177.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.571 0 O-C-N 120.374 -1.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.7 m -143.47 28.41 1.48 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.701 1.6 . . . . 0.0 112.873 -175.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.81 38.58 45.75 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.736 1.16 . . . . 0.0 114.7 -179.353 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.86 108.01 12.81 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 118.572 1.186 . . . . 0.0 111.051 -172.586 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -49.43 167.37 0.17 Allowed 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 124.996 3.798 . . . . 0.0 116.076 171.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.8 t -115.59 21.97 13.54 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.736 1.214 . . . . 0.0 113.96 -174.102 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 58.7 p -132.72 141.7 48.69 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.255 1.022 . . . . 0.0 111.571 176.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.3 mt -61.73 -30.12 70.56 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.306 -0.871 . . . . 0.0 113.293 -177.724 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.89 -26.94 55.8 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 120.131 1.332 . . . . 0.0 114.704 176.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -99.2 -32.23 11.33 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.367 1.467 . . . . 0.0 113.041 176.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.1 tp -71.96 -44.13 64.06 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.807 0.73 . . . . 0.0 112.588 174.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -62.07 -37.65 85.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.339 1.456 . . . . 0.0 111.69 179.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -56.91 -45.39 82.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.046 1.338 . . . . 0.0 111.176 170.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -69.61 -46.55 65.99 Favored 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 123.853 0.861 . . . . 0.0 112.172 176.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.6 mt -64.94 -32.3 73.95 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.558 1.143 . . . . 0.0 113.279 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -61.86 -40.26 94.74 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.676 0.79 . . . . 0.0 110.85 167.273 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -68.74 -35.43 77.11 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.878 -1.058 . . . . 0.0 113.333 172.482 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -55.44 -38.49 69.1 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 120.52 1.509 . . . . 0.0 113.706 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.74 -46.95 73.81 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 118.3 -0.857 . . . . 0.0 112.5 174.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -61.23 -49.47 77.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.649 1.113 . . . . 0.0 111.385 177.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -64.41 -10.12 22.81 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 127.949 2.5 . . . . 0.0 114.982 175.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -128.53 -41.04 0.28 Allowed Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.367 0.907 . . . . 0.0 115.367 -163.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.452 HG22 ' CE1' ' A' ' 108' ' ' TYR . 32.2 p -97.61 173.25 7.23 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 126.464 1.905 . . . . 0.0 112.638 -175.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -75.56 -34.46 60.71 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.931 0.892 . . . . 0.0 112.229 165.205 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -151.73 109.96 3.74 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 175.529 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.8 t -62.18 -28.43 69.66 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.092 1.357 . . . . 0.0 113.437 171.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.49 -8.88 54.5 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -166.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -84.56 -11.49 55.95 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.81 1.186 . . . . 0.0 112.558 171.14 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.7 m-85 -84.27 154.16 23.14 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.345 1.058 . . . . 0.0 113.03 -179.288 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -140.39 -38.34 0.45 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.79 0.836 . . . . 0.0 112.615 -166.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -149.87 174.89 12.16 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.941 0.896 . . . . 0.0 112.962 175.115 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -155.34 161.25 41.11 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 125.978 1.711 . . . . 0.0 112.807 -176.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.27 135.96 32.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 125.55 1.54 . . . . 0.0 109.977 177.578 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.4 mt -123.38 131.52 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.729 1.612 . . . . 0.0 108.454 -164.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 mt -122.47 135.0 54.57 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.533 1.133 . . . . 0.0 110.045 -179.215 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.5 p -127.31 174.01 9.31 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -167.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HB2' ' HA3' ' A' ' 91' ' ' GLY . 14.9 mt-10 -50.35 159.7 0.45 Allowed 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.183 0.516 . . . . 0.0 109.927 160.122 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 61.99 35.54 16.04 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 171.03 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt 62.29 18.55 10.3 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 128.423 2.689 . . . . 0.0 115.204 173.056 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.49 142.34 46.88 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.655 -0.653 . . . . 0.0 113.21 174.156 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -145.92 129.46 16.97 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 128.694 2.798 . . . . 0.0 106.279 174.638 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -142.35 128.45 19.7 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.101 0.961 . . . . 0.0 110.693 -177.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.5 t -101.92 143.19 32.1 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 118.979 0.809 . . . . 0.0 111.799 174.535 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.5 t -143.97 123.06 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.643 1.577 . . . . 0.0 110.82 -179.206 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -77.18 122.43 25.02 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.338 -0.851 . . . . 0.0 110.133 164.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.0 mt -79.77 -26.87 40.52 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.482 1.513 . . . . 0.0 112.461 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -74.01 18.76 0.13 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.863 1.665 . . . . 0.0 115.044 -169.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 80.8 p -145.04 157.01 54.77 Favored Pre-proline 0 N--CA 1.473 0.676 0 C-N-CA 127.07 2.148 . . . . 0.0 109.911 175.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.91 153.01 33.29 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.674 2.916 . . . . 0.0 113.592 167.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.5 tp -56.38 148.06 19.9 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.661 1.984 . . . . 0.0 113.275 178.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.64 140.24 46.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.566 1.146 . . . . 0.0 111.358 175.097 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -65.09 -4.99 5.49 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -178.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -58.45 -50.57 73.24 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.735 -1.228 . . . . 0.0 110.518 163.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -67.96 -32.26 72.56 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.285 1.434 . . . . 0.0 111.689 -179.07 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -61.29 -18.1 56.88 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 176.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -125.91 -14.75 6.07 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -169.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.41 134.99 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 119.146 0.885 . . . . 0.0 111.118 174.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.21 125.04 35.34 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.545 0.738 . . . . 0.0 109.949 174.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.82 129.49 40.29 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.504 -0.747 . . . . 0.0 110.766 173.189 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.58 -27.26 48.27 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.312 1.045 . . . . 0.0 113.491 175.081 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' HA3' ' HB2' ' A' ' 67' ' ' GLU . . . -172.42 -176.23 41.02 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 126.116 1.817 . . . . 0.0 113.696 -178.363 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -69.02 153.55 43.6 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.207 1.403 . . . . 0.0 114.772 -179.243 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 26.5 ttp -69.8 65.97 0.23 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.113 2.565 . . . . 0.0 115.013 -175.088 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.18 -39.24 85.82 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.383 -1.448 . . . . 0.0 114.47 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -147.19 151.12 36.21 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.203 1.401 . . . . 0.0 111.971 -178.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.8 m -138.11 151.0 47.37 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.113 1.365 . . . . 0.0 110.044 161.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -130.97 145.2 51.97 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.821 1.648 . . . . 0.0 110.424 175.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -138.46 145.16 40.53 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.785 1.634 . . . . 0.0 112.302 -164.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -132.44 132.02 42.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.344 1.058 . . . . 0.0 110.269 -164.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 59' ' ' PHE . 47.0 mttt -69.27 169.4 12.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.908 0.883 . . . . 0.0 112.386 173.23 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -59.04 43.47 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.213 3.005 . . . . 0.0 117.077 175.321 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.79 41.87 0.02 OUTLIER Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.286 -1.286 . . . . 0.0 114.416 -176.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -138.1 159.61 41.59 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -171.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.443 ' HB2' HD22 ' B' ' 23' ' ' ASN . 24.9 p -138.09 -1.43 1.96 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 128.081 2.552 . . . . 0.0 113.954 179.479 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -139.23 128.35 23.85 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.171 2.189 . . . . 0.0 108.169 166.061 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.5 p -58.59 157.05 9.68 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 -166.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.0 t -120.65 -17.46 8.02 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.444 1.498 . . . . 0.0 113.682 176.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.452 ' CE1' HG22 ' A' ' 53' ' ' THR . 25.7 t80 -127.1 153.52 45.9 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.409 1.083 . . . . 0.0 108.77 170.398 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG13 ' CD2' ' B' ' 13' ' ' HIS . 0.2 OUTLIER -159.09 147.57 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 C-N-CA 125.323 1.449 . . . . 0.0 110.569 -171.505 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.3 mt -141.39 124.16 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -167.151 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -84.5 153.62 23.2 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.251 1.02 . . . . 0.0 110.115 176.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -163.45 -173.28 31.96 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-O 119.625 -0.542 . . . . 0.0 113.886 174.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -72.02 140.1 34.05 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.106 2.537 . . . . 0.0 110.535 -177.343 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 150.16 -21.23 1.1 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 126.794 2.14 . . . . 0.0 113.929 176.129 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 59.91 -34.75 0.07 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 128.763 2.825 . . . . 0.0 118.161 175.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.2 t -160.12 146.67 15.87 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 120.871 1.669 . . . . 0.0 109.287 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -76.27 -18.82 58.8 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.662 -0.649 . . . . 0.0 112.552 172.278 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -84.12 45.83 1.14 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.355 1.862 . . . . 0.0 114.062 -161.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 66.46 96.63 0.05 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.593 1.957 . . . . 0.0 114.699 178.74 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -138.06 13.57 2.86 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -175.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.6 t80 . . . . . 0 C--O 1.25 1.117 0 C-N-CA 125.061 1.344 . . . . 0.0 112.02 179.143 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -75.25 34.13 0.11 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.505 1.122 . . . . 0.0 113.916 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.425 ' HB ' ' HD3' ' B' ' 9' ' ' PRO . 47.3 m -80.37 -45.0 1.38 Allowed Pre-proline 0 N--CA 1.478 0.958 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 -170.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.425 ' HD3' ' HB ' ' B' ' 8' ' ' THR . 50.7 Cg_exo -61.01 169.29 6.14 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 122.821 2.347 . . . . 0.0 113.673 175.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.12 24.0 1.17 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -170.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.83 171.68 7.2 Favored Glycine 0 CA--C 1.539 1.593 0 CA-C-N 108.723 -3.853 . . . . 0.0 115.232 168.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.476 ' CD2' HG13 ' A' ' 109' ' ' VAL . 45.0 p-80 -153.9 151.05 29.02 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.124 -1.221 . . . . 0.0 113.248 175.457 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -138.04 177.12 8.12 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 120.317 -1.489 . . . . 0.0 111.354 172.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -136.76 -4.56 1.99 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.127 2.171 . . . . 0.0 113.451 -178.644 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -31.59 0.54 Allowed 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -179.278 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.39 81.67 5.63 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 122.053 0.93 . . . . 0.0 109.257 162.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 t -138.77 154.54 48.52 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 124.437 1.095 . . . . 0.0 111.799 -177.094 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.36 113.59 27.2 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 105.378 -2.082 . . . . 0.0 105.378 172.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -86.62 134.49 33.62 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 125.366 1.466 . . . . 0.0 111.283 169.299 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mp -97.56 -5.05 36.53 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -166.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . 0.443 HD22 ' HB2' ' A' ' 104' ' ' SER . 39.3 m-80 -149.35 -77.2 0.15 Allowed 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 119.748 1.158 . . . . 0.0 113.082 -168.213 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . 0.594 ' H ' ' CD ' ' B' ' 25' ' ' PRO . 4.1 t -162.95 0.4 0.0 OUTLIER Pre-proline 0 CA--C 1.561 1.394 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 -168.309 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.594 ' CD ' ' H ' ' B' ' 24' ' ' THR . 27.2 Cg_endo -61.0 146.62 97.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 CA-C-N 123.089 2.139 . . . . 0.0 115.985 -151.58 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -157.6 168.02 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.17 1.388 . . . . 0.0 111.271 -168.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -121.29 19.49 11.41 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.118 1.367 . . . . 0.0 112.844 178.583 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -152.22 114.23 4.43 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 127.505 2.322 . . . . 0.0 110.006 176.357 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 m -147.76 22.85 1.12 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -169.143 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.23 169.17 20.2 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.592 1.567 . . . . 0.0 116.726 171.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.8 mt -132.22 82.6 57.96 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.604 1.562 . . . . 0.0 111.585 -177.61 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -83.6 174.37 8.81 Favored 'Trans proline' 0 CA--C 1.541 0.873 1 C-N-CA 125.354 4.036 . . . . 0.0 112.028 178.551 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -138.84 2.02 2.13 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.775 1.23 . . . . 0.0 114.088 167.539 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 38.5 p -136.39 143.2 43.88 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.796 1.638 . . . . 0.0 110.544 173.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.64 -25.92 68.37 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 176.56 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -52.54 -34.62 43.18 Favored Glycine 0 N--CA 1.472 1.092 0 CA-C-N 120.378 1.445 . . . . 0.0 115.357 172.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -87.92 -43.81 11.51 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.033 0.917 . . . . 0.0 112.01 175.708 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 62.7 tp -68.95 -49.38 58.48 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -63.03 -41.74 99.61 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.913 0.779 . . . . 0.0 110.381 -177.41 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -58.73 -37.15 75.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.965 0.906 . . . . 0.0 112.655 173.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.2 mtm105 -67.67 -56.17 10.38 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.203 169.555 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.52 -37.62 78.82 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 120.59 1.541 . . . . 0.0 113.351 -174.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 46.0 ttm-85 -64.91 -33.03 75.06 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.086 2.154 . . . . 0.0 112.359 175.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -75.88 -40.63 54.15 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.138 0.975 . . . . 0.0 113.221 164.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.404 ' HA ' ' CE1' ' B' ' 11' ' ' TYS . 3.6 m-30 -59.15 -39.62 83.02 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 124.295 1.038 . . . . 0.0 112.774 -172.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.29 -41.59 84.76 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 179.797 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -70.71 -46.38 63.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.232 1.013 . . . . 0.0 112.335 177.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -69.83 -16.78 63.33 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 173.497 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.03 -22.13 7.73 Favored Glycine 0 CA--C 1.535 1.329 0 CA-C-O 119.113 -0.826 . . . . 0.0 114.248 -168.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.8 p -116.94 167.45 11.12 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.941 1.371 . . . . 0.0 112.996 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.492 ' H ' ' HO3' ' B' ' 14' ' ' TYS . 34.1 mtmm -79.49 -28.63 41.48 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.276 1.03 . . . . 0.0 112.908 175.225 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -148.39 115.44 6.11 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.51 1.524 . . . . 0.0 111.239 166.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 t -82.65 -20.1 36.93 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 178.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.87 -13.47 59.67 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.018 -1.676 . . . . 0.0 115.308 -175.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -75.02 -24.91 58.43 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.159 -0.963 . . . . 0.0 112.782 175.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -83.22 140.15 32.7 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.127 0.971 . . . . 0.0 111.323 -177.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -122.66 -22.07 5.48 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.023 0.929 . . . . 0.0 112.522 -175.177 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -148.96 169.25 21.01 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.412 0.894 . . . . 0.0 113.412 171.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -141.75 154.83 45.53 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 126.57 1.948 . . . . 0.0 111.274 178.36 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.732 HG11 HD23 ' B' ' 20' ' ' LEU . 10.5 p -138.71 135.42 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 125.201 1.401 . . . . 0.0 109.893 178.243 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.9 mt -120.22 128.55 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 125.294 1.438 . . . . 0.0 107.467 -168.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.2 mt -113.59 123.86 50.98 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 124.8 1.24 . . . . 0.0 109.362 177.153 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.2 p -116.64 167.35 11.15 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.371 0.668 . . . . 0.0 111.466 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -54.01 164.42 0.62 Allowed 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.708 -0.62 . . . . 0.0 111.925 163.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.29 34.2 18.69 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 176.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 70.15 11.21 7.55 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.797 2.439 . . . . 0.0 114.985 172.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.95 137.1 43.71 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-N 119.295 0.952 . . . . 0.0 113.293 -179.345 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -144.31 110.25 5.37 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.975 2.11 . . . . 0.0 108.743 -179.318 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -127.33 117.36 22.08 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.25 -0.906 . . . . 0.0 109.304 -172.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -122.6 131.91 54.04 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.672 0.789 . . . . 0.0 112.921 -172.515 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.5 t -143.07 122.11 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.672 1.189 . . . . 0.0 110.841 -160.14 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -78.09 130.11 36.02 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 122.147 0.975 . . . . 0.0 110.453 168.351 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.5 mt -77.27 -0.36 25.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.191 1.797 . . . . 0.0 112.613 178.389 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -68.07 -10.29 52.77 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.009 1.724 . . . . 0.0 114.389 176.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.5 p -142.8 144.02 27.99 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 119.523 1.056 . . . . 0.0 111.355 -177.529 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.25 157.64 25.16 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 123.936 3.091 . . . . 0.0 114.314 171.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.8 tp -58.95 155.28 13.65 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.445 1.498 . . . . 0.0 112.598 171.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.15 158.34 43.08 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.727 1.611 . . . . 0.0 112.142 -175.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -57.06 -33.35 67.17 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -165.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -66.58 -44.94 80.83 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 120.971 -1.08 . . . . 0.0 111.002 176.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.2 mtp-105 -68.5 -22.95 64.5 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.339 1.456 . . . . 0.0 112.23 176.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -68.98 -24.7 64.27 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 171.058 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -124.86 -6.95 7.3 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -167.164 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.15 139.6 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.49 1.116 . . . . 0.0 111.593 170.481 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -88.42 151.96 22.22 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.314 1.046 . . . . 0.0 111.584 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.3 mt -90.09 145.07 25.34 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.51 1.124 . . . . 0.0 112.412 -178.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.6 mt -70.13 -32.1 69.94 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.282 1.033 . . . . 0.0 113.716 174.369 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.93 -175.3 41.48 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 123.865 0.745 . . . . 0.0 114.045 -175.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -63.69 147.36 51.82 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.844 1.257 . . . . 0.0 113.372 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 4.3 ttt -67.03 65.42 0.06 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 129.107 2.963 . . . . 0.0 113.885 -176.419 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -55.3 -47.97 74.79 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 120.914 -1.116 . . . . 0.0 112.672 -175.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -158.57 160.09 36.23 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 176.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.1 m -132.91 142.16 48.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.563 1.145 . . . . 0.0 109.409 167.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -125.51 149.98 47.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.283 1.833 . . . . 0.0 110.562 179.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -134.72 151.73 51.22 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.236 1.014 . . . . 0.0 112.506 -172.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.507 ' HE1' HG12 ' A' ' 63' ' ' VAL . 37.6 m-85 -134.66 131.33 37.61 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.392 -0.817 . . . . 0.0 110.715 -168.746 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -75.09 163.39 27.63 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.488 0.715 . . . . 0.0 111.895 178.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . 0.254 53.6 pttt -65.95 64.34 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.507 1.923 . . . . 0.0 114.603 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.62 32.71 0.05 OUTLIER Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.489 1.995 . . . . 0.0 114.213 178.457 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -132.66 160.43 36.73 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.082 1.441 . . . . 0.0 112.822 -163.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 99.0 p -142.83 10.55 1.79 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 174.028 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -141.66 129.86 22.21 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 120.921 -1.112 . . . . 0.0 108.828 163.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.4 t -62.41 154.27 28.77 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -172.268 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.7 m -131.43 -0.16 4.02 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.49 1.916 . . . . 0.0 113.799 172.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -139.23 137.48 35.99 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.308 1.443 . . . . 0.0 110.161 176.31 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.432 HG23 ' CD2' ' B' ' 13' ' ' HIS . 2.5 m -149.58 160.61 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 125.484 1.513 . . . . 0.0 112.837 -164.279 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 57.8 mt -144.09 121.3 5.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 -177.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -100.6 145.04 28.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.706 1.202 . . . . 0.0 110.267 -172.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -157.87 -174.26 27.34 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 114.764 0.666 . . . . 0.0 114.764 -175.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -64.11 138.24 60.9 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.821 2.347 . . . . 0.0 111.691 -175.126 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.05 149.43 5.46 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 127.511 2.481 . . . . 0.0 110.989 173.192 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -135.51 -10.94 2.14 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.954 1.702 . . . . 0.0 113.838 -170.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -157.96 114.75 2.89 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 122.616 1.198 . . . . 0.0 113.955 164.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -69.79 5.79 1.39 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.79 1.236 . . . . 0.0 113.036 168.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -125.51 12.72 8.1 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.819 1.248 . . . . 0.0 114.019 -170.27 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 94.34 113.07 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 128.852 2.861 . . . . 0.0 112.765 166.852 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -74.54 22.06 0.1 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -175.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 29.2 t80 . . . . . 0 C--O 1.251 1.171 0 C-N-CA 125.51 1.524 . . . . 0.0 112.522 -174.213 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.301 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.4 t -145.99 31.58 1.03 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 128.182 2.593 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.75 152.05 20.27 Favored Pre-proline 0 CA--C 1.551 1.002 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -178.139 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -50.53 -163.7 0.0 OUTLIER 'Trans proline' 0 CA--C 1.548 1.193 1 C-N-CA 127.97 5.78 . . . . 0.0 118.313 163.353 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -73.01 89.26 1.43 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.247 1.419 . . . . 0.0 110.422 168.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' TYS . . . . . 0.404 ' CE1' ' HA ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.31 135.62 3.78 Favored Glycine 0 N--CA 1.434 -1.472 0 CA-C-N 110.675 -2.966 . . . . 0.0 113.826 -160.26 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.432 ' CD2' HG23 ' A' ' 109' ' ' VAL . 54.2 p-80 -152.91 154.64 35.45 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 122.608 1.194 . . . . 0.0 111.623 160.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' TYS . . . . . 0.492 ' HO3' ' H ' ' A' ' 54' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -153.02 153.99 34.01 Favored 'General case' 0 C--N 1.345 0.375 0 O-C-N 120.82 -1.175 . . . . 0.0 110.491 -173.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -139.64 6.43 2.26 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.088 1.355 . . . . 0.0 113.726 -179.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 -25.05 11.99 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.313 0.961 . . . . 0.0 112.524 163.547 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -101.17 93.7 5.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.753 1.621 . . . . 0.0 108.573 166.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.4 t -138.58 174.38 10.59 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.561 1.544 . . . . 0.0 110.926 179.255 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.732 HD23 HG11 ' A' ' 63' ' ' VAL . 48.7 tp -123.39 129.82 51.84 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.436 1.494 . . . . 0.0 107.974 161.852 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -98.14 90.91 5.03 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.825 2.85 . . . . 0.0 111.997 -175.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.87 41.75 0.08 Allowed 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 128.442 2.697 . . . . 0.0 112.848 176.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -146.18 15.67 1.33 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 -175.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 14.2 t -154.58 149.95 21.0 Favored Pre-proline 0 N--CA 1.482 1.138 0 O-C-N 120.593 -1.317 . . . . 0.0 111.426 -178.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -98.52 163.71 0.7 Allowed 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 123.596 2.864 . . . . 0.0 114.446 -171.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 p -166.67 135.0 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.286 1.834 . . . . 0.0 109.495 160.29 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -140.31 8.88 2.25 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 179.649 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -88.26 103.26 15.62 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.323 1.049 . . . . 0.0 109.624 169.075 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 120.373 -1.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_