==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-JUN-13 4BTB . COMPND 2 MOLECULE: PROLYL 4-HYDROXYLASE SUBUNIT ALPHA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.ANANTHARAJAN,M.K.KOSKI,R.K.WIERENGA . 240 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 0 0 0 0 1 1 1 1 3 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A P 0 0 179 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -74.7 31.6 54.9 35.7 2 3 A G > + 0 0 37 1,-0.2 4,-1.6 2,-0.1 0, 0.0 0.143 360.0 112.2 -94.8 18.7 30.2 56.0 39.1 3 4 A F H > S+ 0 0 118 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.931 74.3 41.3 -59.6 -54.0 31.9 59.4 38.5 4 5 A F H > S+ 0 0 169 1,-0.3 4,-1.8 -3,-0.2 -1,-0.2 0.841 111.3 56.8 -69.9 -32.2 28.9 61.6 38.1 5 6 A T H > S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.872 102.8 57.2 -62.4 -34.6 27.0 59.9 40.9 6 7 A S H X S+ 0 0 53 -4,-1.6 4,-2.0 -3,-0.2 -2,-0.2 0.858 102.0 53.4 -67.6 -36.0 30.1 60.9 43.1 7 8 A I H X S+ 0 0 79 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.947 107.9 51.5 -58.0 -48.3 29.6 64.5 42.3 8 9 A G H X S+ 0 0 34 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.896 107.9 54.5 -53.2 -41.2 26.0 64.2 43.4 9 10 A Q H X S+ 0 0 101 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.890 104.3 51.2 -61.6 -44.8 27.4 62.6 46.6 10 11 A M H X S+ 0 0 122 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.914 109.6 50.9 -64.0 -42.0 29.7 65.5 47.5 11 12 A T H X S+ 0 0 75 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.920 110.6 48.9 -59.3 -44.9 26.9 68.0 47.1 12 13 A D H X S+ 0 0 107 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.911 109.6 53.4 -60.2 -39.6 24.7 65.9 49.4 13 14 A L H X S+ 0 0 37 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.887 102.4 57.5 -63.8 -38.7 27.6 65.7 51.9 14 15 A I H X S+ 0 0 102 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.903 111.1 42.9 -59.3 -40.3 28.0 69.5 52.0 15 16 A H H X S+ 0 0 123 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.883 111.5 54.5 -75.8 -35.6 24.3 69.8 53.1 16 17 A T H X S+ 0 0 30 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.905 106.3 52.4 -58.3 -42.1 24.7 66.9 55.5 17 18 A E H X S+ 0 0 119 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.884 103.9 56.0 -66.4 -37.3 27.6 68.7 57.1 18 19 A K H X S+ 0 0 136 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.922 107.4 50.4 -58.5 -42.0 25.6 71.9 57.6 19 20 A D H X S+ 0 0 100 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.838 106.4 55.1 -64.3 -34.0 23.0 69.7 59.5 20 21 A L H X S+ 0 0 16 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.890 106.1 51.5 -66.6 -38.3 25.8 68.4 61.7 21 22 A V H X S+ 0 0 69 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.917 108.1 51.8 -64.1 -40.9 26.8 71.9 62.6 22 23 A T H X S+ 0 0 62 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.944 112.5 45.6 -58.3 -47.1 23.2 72.6 63.5 23 24 A S H X S+ 0 0 24 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.898 111.2 52.7 -61.3 -43.2 23.3 69.5 65.7 24 25 A L H X S+ 0 0 67 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.897 107.6 51.8 -60.2 -42.2 26.6 70.5 67.2 25 26 A K H X S+ 0 0 126 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.842 107.7 52.3 -65.2 -33.4 25.3 74.0 68.1 26 27 A D H X S+ 0 0 106 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.919 108.6 50.6 -65.2 -44.5 22.3 72.3 69.9 27 28 A Y H X S+ 0 0 68 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.921 108.4 53.0 -56.9 -45.8 24.8 70.2 71.9 28 29 A I H X S+ 0 0 72 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.938 108.4 48.9 -57.3 -48.1 26.7 73.4 72.8 29 30 A K H X S+ 0 0 128 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.907 111.3 50.7 -59.2 -41.7 23.6 75.1 74.1 30 31 A A H X S+ 0 0 26 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.906 112.9 45.1 -63.4 -43.6 22.7 72.0 76.2 31 32 A E H X S+ 0 0 58 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.892 111.5 52.8 -66.5 -41.6 26.2 71.8 77.7 32 33 A E H X S+ 0 0 113 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.913 111.1 47.4 -59.0 -44.3 26.2 75.6 78.4 33 34 A D H X S+ 0 0 88 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.911 112.7 48.1 -64.0 -43.1 22.9 75.3 80.2 34 35 A K H X S+ 0 0 27 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.926 112.8 49.0 -63.1 -45.4 24.1 72.3 82.2 35 36 A L H X S+ 0 0 96 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.879 107.4 53.9 -64.7 -38.1 27.3 74.1 83.1 36 37 A E H X S+ 0 0 83 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.923 109.4 49.7 -63.2 -39.8 25.5 77.3 84.2 37 38 A Q H X S+ 0 0 101 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.916 111.6 47.4 -62.3 -44.7 23.3 75.2 86.5 38 39 A I H X S+ 0 0 30 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.898 109.7 54.0 -64.7 -40.6 26.4 73.4 88.1 39 40 A K H X S+ 0 0 110 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.917 109.2 47.0 -59.6 -44.5 28.2 76.8 88.5 40 41 A K H X S+ 0 0 127 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.875 114.4 48.7 -64.2 -35.4 25.3 78.2 90.5 41 42 A W H X S+ 0 0 41 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.929 111.2 48.7 -68.5 -47.8 25.1 75.0 92.5 42 43 A A H X S+ 0 0 51 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.847 108.1 55.8 -58.6 -38.2 28.9 75.1 93.2 43 44 A E H X S+ 0 0 119 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.923 108.4 46.9 -62.5 -45.3 28.6 78.8 94.2 44 45 A K H X S+ 0 0 97 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.938 115.0 45.9 -61.2 -47.2 26.0 78.0 96.8 45 46 A L H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.817 108.4 57.4 -65.2 -32.9 28.1 75.1 98.2 46 47 A D H X S+ 0 0 98 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.923 108.3 46.6 -64.7 -42.1 31.2 77.3 98.1 47 48 A R H X S+ 0 0 176 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.936 115.3 46.3 -65.4 -44.0 29.4 79.8 100.4 48 49 A L H X S+ 0 0 71 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.922 115.2 43.6 -65.9 -46.5 28.2 77.0 102.8 49 50 A T H X S+ 0 0 55 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.858 111.1 54.1 -71.2 -33.7 31.4 75.1 103.1 50 51 A S H X S+ 0 0 60 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.918 111.5 45.6 -65.2 -43.9 33.6 78.2 103.5 51 52 A T H < S+ 0 0 112 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.904 111.9 51.6 -63.1 -44.3 31.5 79.4 106.4 52 53 A A H < S+ 0 0 58 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.804 111.9 46.2 -65.0 -31.1 31.4 76.0 108.0 53 54 A T H < S+ 0 0 114 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.777 101.2 60.0 -89.6 -27.6 35.2 75.5 107.9 54 55 A K S < S+ 0 0 192 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 0.237 86.5 99.3 -84.2 18.6 36.5 78.9 109.2 55 56 A D 0 0 120 -3,-0.5 -4,-0.0 1,-0.1 -1,-0.0 -0.915 360.0 360.0-106.7 112.8 34.5 78.1 112.4 56 57 A P 0 0 165 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.168 360.0 360.0 -71.6 360.0 36.8 76.8 115.2 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 62 A G 0 0 113 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -15.2 25.8 69.7 116.6 59 63 A H > - 0 0 116 1,-0.1 4,-2.9 4,-0.1 5,-0.2 -0.390 360.0-120.5 -64.2 139.3 22.6 71.7 116.7 60 64 A P H > S+ 0 0 99 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.791 111.3 52.3 -59.9 -30.5 19.7 69.6 115.3 61 65 A V H > S+ 0 0 90 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.958 114.9 40.7 -63.8 -51.7 19.0 72.2 112.5 62 66 A N H > S+ 0 0 109 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.882 114.9 53.1 -64.3 -37.4 22.6 72.3 111.3 63 67 A A H X S+ 0 0 39 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.933 110.8 46.4 -63.4 -47.5 22.9 68.5 111.8 64 68 A F H X S+ 0 0 124 -4,-2.2 4,-2.4 -5,-0.2 5,-0.3 0.933 113.2 48.9 -58.6 -49.0 19.8 67.9 109.7 65 69 A K H X S+ 0 0 111 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.913 114.5 46.0 -58.5 -43.6 21.0 70.3 107.0 66 70 A L H X S+ 0 0 70 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.948 112.5 48.6 -65.0 -50.2 24.5 68.7 106.9 67 71 A M H X S+ 0 0 109 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.898 115.1 45.6 -56.0 -45.1 23.2 65.1 106.8 68 72 A K H X>S+ 0 0 104 -4,-2.4 4,-2.5 -5,-0.2 5,-2.0 0.894 112.3 50.4 -68.5 -39.2 20.8 65.8 104.0 69 73 A R H <>S+ 0 0 33 -4,-2.1 5,-2.4 -5,-0.3 6,-0.2 0.958 117.6 39.4 -64.6 -46.9 23.3 67.8 102.0 70 74 A L H <5S+ 0 0 95 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.948 125.0 36.4 -67.1 -49.7 25.9 65.0 102.2 71 75 A N H <5S+ 0 0 122 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.936 136.4 11.6 -70.4 -47.6 23.5 62.1 101.8 72 76 A T T >X5S+ 0 0 54 -4,-2.5 4,-1.8 -5,-0.4 3,-0.5 0.911 122.3 49.6-101.1 -54.9 21.0 63.6 99.3 73 77 A E H 3> S+ 0 0 56 -3,-0.5 4,-2.1 -6,-0.2 -1,-0.2 0.883 108.7 48.1 -68.7 -38.9 24.1 62.6 94.9 76 80 A E H X S+ 0 0 104 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.894 112.0 49.6 -66.9 -39.6 21.8 64.9 92.9 77 81 A L H X S+ 0 0 17 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.920 109.8 51.8 -62.6 -43.6 24.8 67.1 92.0 78 82 A E H X S+ 0 0 109 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.905 106.3 53.9 -59.2 -43.2 26.7 64.0 91.0 79 83 A N H X S+ 0 0 110 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.895 110.3 47.2 -59.5 -38.5 23.9 62.8 88.7 80 84 A L H >< S+ 0 0 15 -4,-1.7 3,-0.8 2,-0.2 -2,-0.2 0.924 109.6 51.9 -69.9 -45.6 23.9 66.2 87.0 81 85 A V H 3< S+ 0 0 76 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.906 113.6 45.7 -54.0 -43.5 27.7 66.2 86.5 82 86 A L H 3< S+ 0 0 122 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.2 0.609 84.3 117.1 -77.6 -13.8 27.5 62.8 84.9 83 87 A K << - 0 0 107 -3,-0.8 2,-0.4 -4,-0.7 -3,-0.0 -0.407 62.2-137.3 -64.0 121.9 24.6 63.6 82.7 84 88 A D - 0 0 104 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 -0.642 23.2-179.6 -83.7 129.5 25.6 63.3 79.0 85 89 A M + 0 0 45 -2,-0.4 4,-0.3 1,-0.1 3,-0.2 0.380 69.8 72.7-103.3 0.5 24.4 66.1 76.7 86 90 A S > + 0 0 28 1,-0.2 4,-3.0 2,-0.1 5,-0.3 0.422 60.0 101.1-101.6 0.8 26.0 64.7 73.5 87 91 A D H > S+ 0 0 107 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.915 84.5 47.6 -51.8 -52.3 23.8 61.7 72.7 88 92 A G H > S+ 0 0 46 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 116.5 43.1 -58.6 -47.3 21.8 63.4 70.0 89 93 A F H > S+ 0 0 36 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.951 116.4 46.4 -64.0 -50.0 24.8 64.9 68.2 90 94 A I H X S+ 0 0 76 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.876 110.2 54.4 -63.2 -38.5 26.9 61.7 68.5 91 95 A S H X S+ 0 0 54 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.932 112.0 43.4 -59.2 -48.5 24.0 59.5 67.3 92 96 A N H X S+ 0 0 47 -4,-2.0 4,-3.0 -5,-0.2 -2,-0.2 0.928 113.2 51.0 -64.7 -45.6 23.5 61.6 64.1 93 97 A L H X S+ 0 0 29 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.913 109.5 51.7 -56.7 -45.3 27.3 61.9 63.4 94 98 A T H X S+ 0 0 85 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.925 112.4 45.0 -59.7 -46.7 27.6 58.1 63.7 95 99 A I H >< S+ 0 0 92 -4,-2.0 3,-1.1 1,-0.2 4,-0.3 0.945 115.3 47.7 -60.5 -49.3 24.8 57.5 61.2 96 100 A Q H >< S+ 0 0 46 -4,-3.0 3,-2.1 1,-0.2 4,-0.2 0.838 98.2 68.7 -63.4 -34.0 26.1 60.2 58.8 97 101 A R H >< S+ 0 0 136 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.739 81.6 76.6 -59.3 -23.0 29.7 58.9 58.9 98 102 A Q T << S+ 0 0 138 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.792 102.2 39.9 -56.6 -28.9 28.6 55.8 57.0 99 103 A Y T < S+ 0 0 149 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.341 94.2 112.7-103.9 4.0 28.5 57.9 53.9 100 104 A F S < S- 0 0 66 -3,-1.7 -3,-0.0 -4,-0.2 2,-0.0 -0.383 75.2-100.8 -74.6 153.0 31.7 59.9 54.6 101 105 A P - 0 0 82 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.351 42.6-142.5 -62.6 158.5 34.8 59.7 52.5 102 106 A N > - 0 0 83 -2,-0.0 4,-2.1 1,-0.0 3,-0.2 -0.405 33.2 -77.0-115.2-169.8 37.5 57.5 54.1 103 107 A D H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.853 129.5 52.1 -60.1 -36.8 41.4 57.6 54.4 104 108 A E H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.850 109.0 50.5 -68.0 -36.7 41.8 56.3 50.8 105 109 A D H > S+ 0 0 87 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.878 109.7 50.6 -66.7 -39.8 39.5 59.1 49.6 106 110 A Q H X S+ 0 0 103 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.925 112.6 45.5 -65.9 -44.3 41.5 61.7 51.5 107 111 A V H X S+ 0 0 60 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.916 110.4 55.4 -63.4 -42.2 44.8 60.5 50.0 108 112 A G H X S+ 0 0 36 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.904 108.8 47.4 -55.9 -41.6 43.1 60.3 46.6 109 113 A A H X S+ 0 0 61 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.857 109.2 53.3 -70.3 -36.5 42.1 64.0 46.9 110 114 A A H X S+ 0 0 8 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.924 110.2 48.2 -62.7 -44.0 45.6 65.0 48.0 111 115 A K H X S+ 0 0 91 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.901 108.5 53.8 -64.1 -39.6 47.1 63.3 45.0 112 116 A A H X S+ 0 0 62 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.884 109.2 48.9 -63.6 -36.2 44.6 65.0 42.7 113 117 A L H X S+ 0 0 48 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.926 112.3 48.0 -66.0 -45.2 45.7 68.4 44.1 114 118 A L H X S+ 0 0 23 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.877 109.4 53.7 -62.6 -38.4 49.3 67.5 43.6 115 119 A R H X S+ 0 0 190 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.935 109.3 48.1 -61.7 -46.2 48.6 66.3 40.0 116 120 A L H X S+ 0 0 74 -4,-2.1 4,-2.1 2,-0.2 6,-0.2 0.892 111.6 50.9 -57.6 -44.6 46.9 69.7 39.2 117 121 A Q H X>S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.2 4,-0.7 0.940 112.1 45.7 -60.6 -46.5 49.9 71.5 40.7 118 122 A D H <5S+ 0 0 89 -4,-2.7 3,-0.4 3,-0.2 -2,-0.2 0.894 112.1 52.6 -65.2 -38.7 52.4 69.4 38.7 119 123 A T H <5S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.909 121.1 29.3 -64.6 -45.2 50.3 69.9 35.5 120 124 A Y H <5S- 0 0 157 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.294 104.6-122.1-102.8 10.1 50.1 73.7 35.7 121 125 A N T <5 - 0 0 138 -4,-0.7 2,-0.2 -3,-0.4 -3,-0.2 0.889 46.1-176.7 52.0 46.2 53.4 74.2 37.5 122 126 A L < - 0 0 36 -5,-1.9 -1,-0.2 -6,-0.2 2,-0.2 -0.497 22.2-123.3 -79.2 139.4 51.5 75.9 40.3 123 127 A D > - 0 0 85 -2,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.529 17.2-121.5 -83.3 158.6 53.5 77.4 43.2 124 128 A T H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.818 108.7 51.0 -68.3 -39.3 52.7 76.4 46.7 125 129 A D H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.869 107.4 55.0 -70.7 -36.1 51.9 79.8 48.1 126 130 A T H 4>S+ 0 0 37 1,-0.2 5,-2.3 2,-0.2 6,-0.4 0.916 113.7 41.3 -61.3 -44.5 49.4 80.4 45.3 127 131 A I H ><5S+ 0 0 17 -4,-1.7 3,-0.9 3,-0.2 -2,-0.2 0.917 118.1 46.7 -66.4 -45.2 47.6 77.2 46.2 128 132 A S H 3<5S+ 0 0 1 -4,-2.5 13,-2.1 1,-0.2 -2,-0.2 0.844 109.8 50.0 -71.0 -35.6 47.8 77.6 49.9 129 133 A K T 3<5S- 0 0 59 -4,-2.4 -1,-0.2 11,-0.2 11,-0.1 0.218 113.6-107.4 -94.6 15.1 46.7 81.3 50.2 130 134 A G T < 5S+ 0 0 6 -3,-0.9 7,-3.5 9,-0.3 8,-0.3 0.922 76.2 135.2 60.5 47.3 43.6 80.9 48.0 131 135 A N < + 0 0 73 -5,-2.3 -4,-0.2 5,-0.2 5,-0.1 0.239 27.1 118.2-111.9 12.9 45.0 82.8 45.1 132 136 A L S S- 0 0 52 -6,-0.4 3,-0.2 3,-0.3 5,-0.1 -0.674 76.2 -87.9 -76.8 135.4 43.9 80.4 42.3 133 137 A P S S+ 0 0 100 0, 0.0 2,-2.2 0, 0.0 -1,-0.1 0.199 101.5 13.7 -44.1 154.7 41.5 82.1 39.8 134 138 A G S S+ 0 0 61 1,-0.1 2,-1.5 -3,-0.1 -2,-0.0 -0.451 120.6 61.7 77.7 -68.3 37.7 82.3 40.2 135 139 A V S > S- 0 0 73 -2,-2.2 3,-0.6 -3,-0.2 2,-0.5 -0.644 83.3-176.5 -86.8 76.3 37.7 81.2 43.8 136 140 A K T 3 - 0 0 134 -2,-1.5 -5,-0.2 1,-0.2 -6,-0.1 -0.703 60.5 -12.2 -88.7 122.7 39.7 84.3 44.9 137 141 A H T 3 S+ 0 0 134 -7,-3.5 -1,-0.2 -2,-0.5 -7,-0.1 0.927 107.9 106.8 57.5 51.9 40.8 84.6 48.6 138 142 A K < + 0 0 139 -3,-0.6 2,-0.6 -8,-0.3 -2,-0.1 0.746 62.0 38.5-121.6 -67.0 38.5 81.8 49.8 139 143 A S - 0 0 82 -4,-0.3 2,-0.4 2,-0.0 -1,-0.3 -0.856 65.5-168.2-103.2 122.4 39.9 78.4 50.8 140 144 A F - 0 0 130 -2,-0.6 2,-0.4 -11,-0.1 -11,-0.2 -0.849 16.3-133.9-112.0 144.0 43.2 78.3 52.7 141 145 A L - 0 0 38 -13,-2.1 2,-0.1 -2,-0.4 -13,-0.0 -0.785 22.6-135.0 -91.8 137.0 45.5 75.4 53.5 142 146 A T > - 0 0 57 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.305 28.8-102.6 -80.7 171.9 46.8 75.2 57.1 143 147 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.893 127.0 51.5 -61.5 -39.3 50.4 74.4 57.9 144 148 A E H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.856 106.1 53.1 -65.5 -37.8 49.3 70.9 58.7 145 149 A D H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.902 110.2 49.5 -60.0 -43.9 47.5 70.6 55.3 146 150 A C H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.932 110.7 48.7 -61.7 -46.8 50.8 71.6 53.7 147 151 A F H X S+ 0 0 13 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.914 111.4 51.0 -57.2 -45.9 52.8 69.0 55.8 148 152 A E H X S+ 0 0 49 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.917 110.2 47.8 -61.7 -43.0 50.2 66.4 54.8 149 153 A L H X S+ 0 0 10 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.907 110.3 53.3 -65.2 -39.6 50.5 67.2 51.1 150 154 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.858 108.4 50.2 -60.4 -38.8 54.3 67.1 51.4 151 155 A K H X S+ 0 0 73 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.822 108.3 51.6 -71.5 -34.3 54.1 63.7 52.9 152 156 A V H X S+ 0 0 15 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.937 110.9 48.5 -64.3 -44.6 51.9 62.4 50.1 153 157 A A H ><>S+ 0 0 2 -4,-2.5 5,-2.5 1,-0.2 3,-0.6 0.938 109.9 54.3 -57.8 -43.9 54.4 63.8 47.6 154 158 A Y H ><5S+ 0 0 26 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.879 103.5 53.3 -57.6 -43.5 57.1 62.0 49.7 155 159 A T H 3<5S+ 0 0 93 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.782 109.1 50.5 -66.0 -25.9 55.4 58.6 49.5 156 160 A E T <<5S- 0 0 113 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.329 118.0-115.1 -91.8 5.9 55.3 59.0 45.7 157 161 A A T < 5 + 0 0 56 -3,-1.7 2,-1.2 1,-0.2 -3,-0.2 0.738 68.9 142.8 65.4 25.9 59.0 59.8 45.7 158 162 A D >< + 0 0 55 -5,-2.5 4,-1.9 1,-0.2 -1,-0.2 -0.705 17.2 168.6 -91.9 84.3 58.4 63.4 44.4 159 163 A Y H > + 0 0 52 -2,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.796 69.8 62.8 -72.1 -27.0 61.2 65.0 46.5 160 164 A Y H > S+ 0 0 129 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.953 111.1 36.3 -59.7 -51.3 60.9 68.2 44.5 161 165 A H H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.794 111.6 61.0 -76.2 -24.6 57.3 68.8 45.7 162 166 A T H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.965 107.3 46.8 -59.5 -49.7 58.0 67.3 49.1 163 167 A E H X S+ 0 0 29 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.924 112.2 49.1 -57.3 -47.1 60.5 70.2 49.5 164 168 A L H X S+ 0 0 40 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.909 114.1 44.3 -62.5 -43.9 58.1 72.8 48.3 165 169 A W H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.884 112.6 50.8 -71.5 -38.1 55.3 71.8 50.5 166 170 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.861 110.6 50.3 -65.3 -37.0 57.4 71.3 53.7 167 171 A E H X S+ 0 0 44 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.869 108.7 52.0 -70.9 -33.8 58.9 74.8 53.1 168 172 A Q H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.914 107.6 52.3 -65.4 -44.1 55.4 76.2 52.8 169 173 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.946 111.8 46.6 -53.9 -49.6 54.4 74.6 56.1 170 174 A L H X S+ 0 0 14 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.850 109.7 53.1 -65.1 -37.5 57.5 76.2 57.7 171 175 A R H X S+ 0 0 97 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.904 106.7 52.7 -64.0 -39.9 56.8 79.6 56.2 172 176 A Q H <>S+ 0 0 6 -4,-2.3 5,-2.2 1,-0.2 -2,-0.2 0.910 109.6 48.8 -65.5 -37.8 53.2 79.6 57.6 173 177 A L H ><5S+ 0 0 37 -4,-1.8 3,-2.0 3,-0.2 -1,-0.2 0.938 110.3 51.2 -60.8 -46.6 54.6 78.8 61.0 174 178 A D H 3<5S+ 0 0 113 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.853 103.3 59.5 -59.5 -35.3 57.1 81.7 60.7 175 179 A E T 3<5S- 0 0 120 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.501 130.2 -96.4 -74.8 -3.5 54.3 84.0 59.7 176 180 A G T < 5 + 0 0 54 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.645 65.6 160.6 103.0 17.3 52.7 83.2 63.1 177 181 A E < - 0 0 58 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.548 38.1-131.4 -70.7 130.6 50.2 80.4 62.3 178 182 A I + 0 0 166 -2,-0.3 2,-0.3 2,-0.0 -35,-0.2 -0.731 44.9 151.5 -83.7 131.1 49.2 78.5 65.4 179 183 A S - 0 0 41 -2,-0.4 0, 0.0 2,-0.1 0, 0.0 -0.980 51.3-135.8-159.0 157.9 49.5 74.8 64.7 180 184 A T + 0 0 137 -2,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.340 58.9 130.3-103.3 4.2 50.2 71.5 66.3 181 185 A I - 0 0 24 1,-0.1 2,-1.1 2,-0.1 -2,-0.1 -0.280 66.2-116.3 -65.0 146.1 52.6 70.1 63.7 182 186 A D > - 0 0 95 1,-0.2 4,-1.9 2,-0.0 3,-0.4 -0.738 24.6-163.5 -83.9 100.8 55.8 68.7 64.9 183 187 A K H > S+ 0 0 70 -2,-1.1 4,-2.4 1,-0.2 5,-0.2 0.798 87.7 61.0 -60.3 -28.4 58.3 71.0 63.3 184 188 A V H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.957 105.0 47.7 -60.8 -48.1 61.1 68.5 64.0 185 189 A S H > S+ 0 0 27 -3,-0.4 4,-2.3 1,-0.2 5,-0.3 0.875 108.5 54.7 -61.0 -39.4 59.3 66.0 61.8 186 190 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.942 111.5 44.0 -58.1 -48.0 58.8 68.7 59.1 187 191 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.827 108.6 59.7 -64.9 -33.7 62.6 69.3 59.1 188 192 A D H X S+ 0 0 8 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.964 113.4 35.6 -59.7 -54.5 63.2 65.5 59.1 189 193 A Y H X S+ 0 0 39 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.890 118.4 52.9 -64.5 -42.9 61.3 65.0 55.8 190 194 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.910 107.4 49.5 -63.1 -44.6 62.5 68.3 54.4 191 195 A S H X S+ 0 0 3 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.903 112.8 48.4 -63.3 -39.2 66.2 67.6 55.0 192 196 A Y H X S+ 0 0 19 -4,-1.5 4,-2.9 -5,-0.3 -2,-0.2 0.917 110.2 50.8 -67.1 -41.1 65.9 64.2 53.4 193 197 A A H X S+ 0 0 0 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.883 113.1 46.1 -63.8 -37.5 64.0 65.5 50.3 194 198 A V H <>S+ 0 0 2 -4,-2.1 5,-1.5 2,-0.2 3,-0.5 0.914 111.5 51.8 -70.6 -44.3 66.7 68.2 49.9 195 199 A Y H ><5S+ 0 0 45 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.934 105.5 56.6 -54.6 -48.4 69.5 65.6 50.3 196 200 A Q H 3<5S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.797 103.6 52.6 -55.4 -33.3 67.8 63.4 47.7 197 201 A Q T 3<5S- 0 0 88 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.418 121.9-108.8 -87.4 1.7 68.0 66.2 45.1 198 202 A G T < 5S+ 0 0 52 -3,-2.1 2,-1.5 -4,-0.3 -3,-0.2 0.418 74.4 133.8 96.3 0.1 71.7 66.5 45.8 199 203 A D >< + 0 0 77 -5,-1.5 4,-2.0 1,-0.2 -1,-0.2 -0.639 22.1 170.7 -85.7 89.8 72.0 69.8 47.7 200 204 A L H > S+ 0 0 45 -2,-1.5 4,-2.7 2,-0.2 5,-0.2 0.875 71.5 57.8 -67.2 -38.4 74.3 68.7 50.5 201 205 A D H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.945 111.2 41.7 -57.6 -52.2 75.0 72.2 51.8 202 206 A K H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.890 112.2 54.0 -64.0 -42.5 71.3 72.9 52.4 203 207 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.926 109.2 50.0 -58.7 -42.1 70.6 69.5 53.8 204 208 A L H X S+ 0 0 26 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.928 109.8 51.1 -60.2 -46.8 73.4 70.1 56.3 205 209 A L H X S+ 0 0 113 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.936 111.5 46.1 -53.7 -51.7 71.9 73.4 57.3 206 210 A L H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.852 109.0 56.2 -64.9 -36.4 68.4 72.0 57.9 207 211 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.909 107.4 49.1 -60.4 -44.0 69.9 69.1 59.9 208 212 A K H X S+ 0 0 102 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.895 109.5 52.3 -63.2 -39.8 71.6 71.7 62.2 209 213 A K H X S+ 0 0 91 -4,-2.0 4,-1.0 1,-0.2 3,-0.4 0.908 109.6 49.5 -59.3 -43.5 68.2 73.5 62.5 210 214 A L H >X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 3,-1.0 0.935 106.7 54.4 -62.6 -47.2 66.6 70.2 63.5 211 215 A L H 3< S+ 0 0 23 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.713 99.9 61.8 -63.2 -22.5 69.2 69.4 66.1 212 216 A E H 3< S+ 0 0 154 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.877 112.2 37.7 -65.2 -37.9 68.6 72.8 67.8 213 217 A L H << S+ 0 0 97 -3,-1.0 -2,-0.2 -4,-1.0 -1,-0.2 0.777 135.3 19.9 -86.2 -30.2 65.0 71.7 68.4 214 218 A D >< + 0 0 55 -4,-2.1 3,-1.6 -5,-0.1 -1,-0.3 -0.751 63.2 179.8-143.7 88.4 65.8 68.0 69.2 215 219 A P T 3 S+ 0 0 72 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.735 85.4 51.9 -63.8 -22.4 69.4 67.5 70.2 216 220 A E T 3 S+ 0 0 153 4,-0.0 2,-0.5 5,-0.0 -5,-0.1 0.350 71.5 136.2 -97.7 3.9 68.7 63.7 70.7 217 221 A H <> - 0 0 22 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 -0.386 43.2-156.5 -59.1 108.4 67.1 63.1 67.3 218 222 A Q H > S+ 0 0 179 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.896 86.5 45.4 -58.1 -50.5 68.8 59.9 66.3 219 223 A R H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 115.4 47.0 -63.5 -43.0 68.4 60.2 62.5 220 224 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.876 109.8 52.9 -67.7 -39.9 69.5 63.8 62.4 221 225 A N H X S+ 0 0 63 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.903 111.4 46.9 -61.4 -41.5 72.6 63.2 64.6 222 226 A G H X S+ 0 0 25 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.874 110.0 53.7 -65.9 -38.2 73.6 60.4 62.3 223 227 A N H X S+ 0 0 6 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.880 106.8 51.8 -64.5 -37.5 73.0 62.6 59.3 224 228 A L H X S+ 0 0 30 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.927 109.6 48.1 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