==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HORMONE 03-APR-12 4APJ . COMPND 2 MOLECULE: ANGIOTENSIN-CONVERTING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.MASUYER,S.L.U.SCHWAGER,E.D.STURROCK,R.E.ISAAC,K.R.ACHARYA . 592 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 408 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 18 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 48.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 1 0 4 1 1 1 1 1 1 2 2 1 1 1 0 3 2 0 0 0 0 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 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 . 1 0 1 1 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 . 2 0 1 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 40 A D > 0 0 132 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-169.8 7.4 28.8 -1.7 2 41 A E H > + 0 0 57 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.800 360.0 59.3 -61.7 -33.1 10.6 27.2 -3.0 3 42 A A H > S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 105.6 46.3 -66.2 -41.8 11.8 26.5 0.6 4 43 A E H > S+ 0 0 114 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.808 109.6 56.9 -71.5 -29.5 8.8 24.3 1.5 5 44 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.917 109.7 42.0 -66.5 -47.5 9.1 22.4 -1.8 6 45 A S H X S+ 0 0 44 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.777 111.2 56.8 -73.0 -28.4 12.8 21.3 -1.2 7 46 A K H X S+ 0 0 114 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.897 109.9 46.7 -62.8 -42.0 11.9 20.5 2.4 8 47 A F H X S+ 0 0 6 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.891 111.2 49.9 -65.8 -43.5 9.3 18.2 1.0 9 48 A V H X S+ 0 0 11 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.893 111.3 49.9 -64.9 -40.1 11.6 16.6 -1.5 10 49 A E H X S+ 0 0 108 -4,-2.1 4,-1.8 2,-0.2 5,-0.2 0.930 113.4 44.9 -61.8 -48.7 14.2 16.0 1.1 11 50 A E H X S+ 0 0 62 -4,-2.0 4,-1.7 1,-0.2 5,-0.2 0.891 115.3 48.1 -63.6 -43.5 11.7 14.4 3.5 12 51 A Y H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.912 109.8 53.1 -60.4 -46.6 10.2 12.3 0.7 13 52 A D H X S+ 0 0 39 -4,-2.5 4,-1.7 1,-0.2 347,-0.3 0.851 112.2 42.1 -63.1 -40.4 13.6 11.2 -0.6 14 53 A R H X S+ 0 0 138 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.839 117.5 46.0 -78.9 -33.9 14.9 9.8 2.8 15 54 A T H X S+ 0 0 47 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.856 113.3 50.8 -73.0 -36.8 11.6 8.1 3.8 16 55 A S H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.910 105.8 56.0 -65.7 -43.8 11.3 6.6 0.3 17 56 A Q H X S+ 0 0 74 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.927 110.8 44.5 -51.4 -51.1 14.8 5.2 0.4 18 57 A V H X S+ 0 0 82 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.942 118.9 40.1 -61.3 -52.3 14.0 3.4 3.7 19 58 A V H X S+ 0 0 14 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.832 115.1 51.9 -71.7 -32.5 10.6 2.0 2.6 20 59 A W H X S+ 0 0 5 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.874 109.3 50.2 -70.7 -39.6 11.8 1.2 -1.0 21 60 A N H X S+ 0 0 43 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.864 111.0 50.5 -61.7 -38.6 14.8 -0.8 0.3 22 61 A E H X S+ 0 0 68 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.847 111.6 47.3 -69.2 -36.0 12.4 -2.6 2.6 23 62 A Y H X S+ 0 0 40 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.918 111.6 50.0 -70.4 -44.6 10.1 -3.5 -0.4 24 63 A A H X S+ 0 0 5 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.914 110.6 47.5 -62.5 -47.4 12.9 -4.6 -2.7 25 64 A E H X S+ 0 0 60 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.846 113.9 49.4 -63.8 -35.0 14.5 -7.0 -0.1 26 65 A A H X S+ 0 0 6 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.886 112.0 48.3 -66.8 -40.4 11.0 -8.4 0.6 27 66 A N H X S+ 0 0 21 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.827 114.9 46.5 -67.8 -32.9 10.5 -8.8 -3.2 28 67 A W H X S+ 0 0 8 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.957 108.9 51.8 -72.0 -54.6 13.9 -10.5 -3.4 29 68 A N H X S+ 0 0 69 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.790 114.4 45.3 -55.1 -33.6 13.5 -12.9 -0.5 30 69 A Y H >< S+ 0 0 47 -4,-1.5 3,-0.7 8,-0.2 -1,-0.2 0.960 114.5 45.7 -70.8 -55.8 10.2 -14.0 -1.9 31 70 A N H 3< S+ 0 0 23 -4,-1.8 281,-2.4 1,-0.2 3,-0.2 0.712 121.9 38.5 -61.8 -24.1 11.4 -14.4 -5.5 32 71 A T H 3< S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.492 132.2 24.2-104.6 -9.1 14.6 -16.2 -4.4 33 72 A N S << S- 0 0 90 -3,-0.7 2,-0.4 -4,-0.6 -1,-0.2 -0.526 76.1-157.7-158.0 79.8 12.9 -18.3 -1.6 34 73 A I + 0 0 42 276,-1.8 2,-0.3 -3,-0.2 -4,-0.1 -0.500 34.2 137.8 -70.1 117.8 9.1 -18.9 -2.0 35 74 A T > - 0 0 59 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.967 66.3-109.2-152.8 157.8 7.5 -19.6 1.4 36 75 A T H > S+ 0 0 127 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.863 122.2 52.6 -56.3 -37.6 4.3 -18.7 3.2 37 76 A E H > S+ 0 0 135 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.916 111.1 43.6 -64.6 -47.3 6.5 -16.7 5.6 38 77 A T H > S+ 0 0 12 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.776 112.8 53.5 -71.9 -27.6 8.2 -14.7 2.7 39 78 A S H X S+ 0 0 38 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.889 107.2 50.9 -71.4 -41.9 4.8 -14.2 1.0 40 79 A K H X S+ 0 0 137 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.894 109.0 51.4 -60.7 -43.7 3.3 -12.7 4.2 41 80 A I H X S+ 0 0 69 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.885 108.9 52.0 -61.9 -39.8 6.3 -10.3 4.5 42 81 A L H X S+ 0 0 23 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.885 108.2 50.3 -63.4 -41.5 5.8 -9.2 0.8 43 82 A L H X S+ 0 0 101 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.814 109.8 50.3 -69.0 -32.1 2.0 -8.5 1.4 44 83 A Q H X S+ 0 0 114 -4,-1.6 4,-0.7 2,-0.2 -1,-0.2 0.819 111.7 48.2 -73.2 -33.0 2.8 -6.3 4.5 45 84 A K H X S+ 0 0 43 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.737 105.0 61.3 -78.2 -26.1 5.4 -4.4 2.5 46 85 A N H X S+ 0 0 33 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.924 106.7 43.4 -60.8 -49.3 2.9 -3.9 -0.4 47 86 A M H X S+ 0 0 75 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.694 110.0 57.7 -74.9 -20.5 0.5 -2.0 1.8 48 87 A Q H X S+ 0 0 82 -4,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.919 107.1 46.9 -70.3 -47.2 3.3 0.0 3.3 49 88 A I H X S+ 0 0 8 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.914 113.8 49.4 -58.4 -45.1 4.4 1.3 -0.1 50 89 A A H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.909 112.2 47.2 -59.4 -46.5 0.7 2.1 -0.9 51 90 A N H X S+ 0 0 106 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.922 116.0 45.0 -60.4 -46.7 0.3 3.9 2.5 52 91 A H H X S+ 0 0 23 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.853 114.5 47.6 -66.6 -39.9 3.6 5.9 1.9 53 92 A T H X S+ 0 0 6 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.871 114.1 48.4 -69.7 -38.0 2.7 6.6 -1.8 54 93 A L H X S+ 0 0 86 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.954 114.5 45.1 -63.6 -52.0 -0.8 7.8 -0.7 55 94 A K H X S+ 0 0 114 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.939 120.4 36.9 -58.6 -55.3 0.5 10.0 2.1 56 95 A Y H X S+ 0 0 27 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.786 114.2 56.6 -75.5 -28.7 3.3 11.7 0.2 57 96 A G H X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.881 104.4 53.1 -66.2 -41.1 1.4 11.9 -3.1 58 97 A T H < S+ 0 0 72 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.894 112.3 44.8 -59.6 -44.2 -1.5 13.8 -1.3 59 98 A Q H >< S+ 0 0 66 -4,-1.4 3,-1.8 1,-0.2 4,-0.4 0.906 107.8 57.7 -66.2 -43.9 1.1 16.4 -0.0 60 99 A A H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.810 100.9 58.3 -57.6 -31.6 2.8 16.6 -3.4 61 100 A R T 3< S+ 0 0 117 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.638 90.9 70.6 -73.1 -16.0 -0.5 17.6 -5.0 62 101 A K T < S+ 0 0 164 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.2 0.674 87.0 82.6 -75.0 -17.0 -0.7 20.6 -2.6 63 102 A F S < S- 0 0 45 -3,-1.0 2,-1.0 -4,-0.4 3,-0.1 -0.683 79.6-132.8 -89.2 140.8 2.1 22.3 -4.5 64 103 A D > - 0 0 99 -2,-0.3 3,-2.0 1,-0.2 4,-0.2 -0.829 21.1-157.8 -91.0 101.5 1.6 24.2 -7.7 65 104 A V G > S+ 0 0 16 -2,-1.0 3,-1.1 1,-0.3 -1,-0.2 0.746 85.4 55.0 -56.2 -34.4 4.4 22.7 -9.8 66 105 A N G 3 S+ 0 0 118 1,-0.2 -1,-0.3 -3,-0.1 8,-0.0 0.544 94.6 69.5 -81.2 -6.2 4.8 25.5 -12.3 67 106 A Q G < S+ 0 0 141 -3,-2.0 2,-0.4 7,-0.0 -1,-0.2 0.457 82.3 101.3 -82.4 -2.5 5.3 28.1 -9.5 68 107 A L < - 0 0 18 -3,-1.1 6,-0.1 -4,-0.2 -3,-0.0 -0.710 57.0-160.6 -99.4 135.4 8.7 26.5 -8.8 69 108 A Q S S+ 0 0 170 -2,-0.4 2,-0.5 4,-0.0 -1,-0.1 0.778 73.8 75.6 -81.5 -31.6 12.1 27.9 -9.9 70 109 A N > - 0 0 71 1,-0.1 4,-2.2 2,-0.0 -2,-0.1 -0.760 60.6-163.7 -90.7 122.3 14.2 24.7 -9.6 71 110 A T H > S+ 0 0 82 -2,-0.5 4,-2.7 2,-0.2 5,-0.2 0.839 91.0 54.8 -75.3 -35.3 13.6 22.2 -12.4 72 111 A T H > S+ 0 0 49 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.925 113.4 43.4 -60.2 -46.2 15.2 19.3 -10.5 73 112 A I H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.907 112.6 54.5 -62.1 -44.0 12.7 20.0 -7.6 74 113 A K H X S+ 0 0 53 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.904 107.3 48.6 -58.3 -49.0 9.9 20.4 -10.2 75 114 A R H X S+ 0 0 29 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.892 110.4 51.4 -59.1 -44.9 10.4 17.0 -11.8 76 115 A I H X S+ 0 0 5 -4,-1.6 4,-1.7 2,-0.2 3,-0.3 0.938 113.2 43.1 -61.6 -50.4 10.5 15.2 -8.5 77 116 A I H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.898 111.2 54.7 -63.8 -41.6 7.3 16.7 -7.1 78 117 A K H < S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.767 108.8 50.2 -65.0 -26.5 5.5 16.2 -10.5 79 118 A K H >< S+ 0 0 22 -4,-1.4 3,-1.3 -3,-0.3 -1,-0.2 0.885 108.0 51.6 -73.9 -41.6 6.4 12.5 -10.4 80 119 A V H 3< S+ 0 0 4 -4,-1.7 -2,-0.2 1,-0.3 -20,-0.2 0.679 94.7 71.6 -72.3 -18.8 5.1 12.1 -6.8 81 120 A Q T 3< S+ 0 0 41 -4,-1.3 2,-0.7 -21,-0.2 -1,-0.3 0.640 87.3 74.6 -68.9 -14.5 1.7 13.7 -7.8 82 121 A D < - 0 0 10 -3,-1.3 503,-2.1 -4,-0.1 504,-0.1 -0.898 60.2-179.9-103.8 107.8 1.1 10.4 -9.7 83 122 A L > - 0 0 6 -2,-0.7 3,-1.4 1,-0.3 2,-0.1 0.596 18.6-160.8 -84.6 -11.9 0.3 7.7 -7.2 84 123 A E G > S- 0 0 63 1,-0.3 3,-1.5 84,-0.2 -1,-0.3 -0.439 73.1 -9.0 59.2-133.1 -0.2 4.9 -9.8 85 124 A R G > S+ 0 0 51 1,-0.3 3,-2.4 2,-0.2 -1,-0.3 0.799 126.9 75.8 -62.2 -28.1 -2.2 2.0 -8.3 86 125 A A G < S+ 0 0 4 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.459 80.7 72.3 -65.4 -0.4 -1.9 3.6 -4.8 87 126 A A G < S+ 0 0 22 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.607 79.7 99.5 -84.6 -16.1 -4.6 6.1 -6.0 88 127 A L S < S- 0 0 11 -3,-2.4 2,-0.1 -4,-0.1 76,-0.0 -0.344 86.3 -98.4 -72.9 148.8 -7.3 3.4 -5.8 89 128 A P >> - 0 0 68 0, 0.0 4,-2.5 0, 0.0 3,-0.7 -0.444 47.3-101.3 -59.3 143.1 -9.8 3.0 -3.0 90 129 A A H 3> S+ 0 0 69 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.764 119.7 47.1 -38.4 -52.4 -8.5 0.2 -0.5 91 130 A Q H 3> S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.913 116.0 44.1 -60.5 -47.0 -10.8 -2.6 -1.8 92 131 A E H <> S+ 0 0 54 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.837 111.9 54.6 -68.9 -34.7 -10.1 -1.9 -5.5 93 132 A L H X S+ 0 0 12 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.927 112.2 42.3 -62.3 -47.4 -6.4 -1.6 -4.7 94 133 A E H X S+ 0 0 91 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.818 113.6 52.3 -73.6 -29.5 -6.2 -5.0 -3.0 95 134 A E H X S+ 0 0 62 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.861 108.6 51.4 -69.6 -36.8 -8.4 -6.5 -5.7 96 135 A Y H X S+ 0 0 8 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.888 109.7 49.6 -64.7 -40.1 -6.0 -5.2 -8.4 97 136 A N H X S+ 0 0 29 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.876 109.3 52.4 -66.0 -38.3 -3.1 -6.7 -6.5 98 137 A K H X S+ 0 0 122 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.921 109.9 48.8 -58.8 -46.9 -5.0 -10.0 -6.3 99 138 A I H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.912 112.0 46.4 -65.0 -47.0 -5.5 -9.9 -10.1 100 139 A L H X S+ 0 0 5 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.939 114.9 48.7 -59.0 -48.1 -1.9 -9.2 -11.0 101 140 A L H X S+ 0 0 84 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 112.7 48.4 -54.9 -47.7 -0.8 -11.9 -8.5 102 141 A D H X S+ 0 0 65 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.859 113.0 47.4 -63.5 -38.3 -3.3 -14.3 -10.1 103 142 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.917 114.5 45.1 -70.3 -45.8 -2.1 -13.5 -13.7 104 143 A E H X S+ 0 0 61 -4,-2.8 4,-2.1 369,-0.3 -2,-0.2 0.889 114.8 48.8 -63.4 -41.5 1.6 -13.8 -12.9 105 144 A T H X S+ 0 0 67 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.921 110.9 49.9 -65.1 -45.7 1.0 -17.0 -10.9 106 145 A T H X S+ 0 0 36 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.895 112.9 47.5 -59.9 -43.3 -1.1 -18.6 -13.7 107 146 A Y H < S+ 0 0 10 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.910 111.3 51.5 -62.2 -43.6 1.6 -17.7 -16.3 108 147 A S H < S+ 0 0 64 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.775 115.1 36.4 -72.3 -30.9 4.4 -19.1 -14.2 109 148 A V H < S+ 0 0 97 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.410 82.7 126.5-105.2 1.2 3.1 -22.6 -13.3 110 149 A A < - 0 0 14 -4,-0.7 12,-0.5 -3,-0.5 2,-0.4 -0.396 38.8-173.3 -63.0 130.7 1.4 -23.3 -16.7 111 150 A T E -A 121 0A 40 10,-0.1 2,-0.5 -2,-0.1 10,-0.2 -0.981 22.2-143.0-132.4 140.1 2.6 -26.6 -18.1 112 151 A V E -A 120 0A 8 8,-2.2 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100.4-107.0 -94.9 14.2 10.8 -18.6 -36.5 237 276 A G S S+ 0 0 2 -3,-0.3 2,-0.3 -107,-0.2 -2,-0.1 0.486 94.0 86.6 78.1 3.0 12.8 -20.4 -33.7 238 277 A N S > S- 0 0 19 -5,-0.2 3,-1.2 -108,-0.1 -2,-0.3 -0.997 79.4-127.7-139.8 139.4 11.0 -18.4 -31.0 239 278 A M T 3 S+ 0 0 4 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.843 115.4 28.1 -52.2 -39.0 7.7 -18.9 -29.1 240 279 A W T 3 S- 0 0 25 3,-0.1 -1,-0.3 -4,-0.1 -6,-0.1 0.313 102.7-126.4-108.3 7.5 6.5 -15.3 -29.9 241 280 A A S < S+ 0 0 0 -3,-1.2 3,-0.1 2,-0.2 -2,-0.1 0.842 71.4 131.5 46.5 39.1 8.5 -15.1 -33.2 242 281 A Q S S+ 0 0 9 1,-0.3 2,-0.3 176,-0.1 176,-0.2 0.744 72.6 23.6 -89.0 -28.5 9.9 -11.8 -31.7 243 282 A T - 0 0 15 172,-0.1 -1,-0.3 171,-0.1 3,-0.3 -0.995 64.2-162.7-141.4 134.3 13.5 -12.7 -32.6 244 283 A W > + 0 0 0 166,-3.1 3,-1.3 -2,-0.3 167,-0.2 0.128 53.3 114.8-108.4 19.9 14.5 -15.2 -35.3 245 284 A S G > + 0 0 17 165,-0.4 3,-1.3 1,-0.2 -1,-0.2 0.793 66.4 67.0 -66.8 -28.7 18.1 -16.0 -34.4 246 285 A N G 3 S+ 0 0 40 -10,-0.3 3,-0.4 1,-0.3 -1,-0.2 0.667 94.0 58.9 -67.2 -18.6 17.5 -19.7 -33.7 247 286 A I G X> + 0 0 1 -3,-1.3 4,-1.0 -11,-0.4 3,-0.9 0.061 67.8 117.4 -97.7 25.6 16.7 -20.5 -37.4 248 287 A Y H X> S+ 0 0 37 -3,-1.3 4,-2.6 1,-0.2 3,-0.9 0.897 70.5 58.6 -53.9 -44.7 20.1 -19.3 -38.5 249 288 A D H 34 S+ 0 0 119 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.771 106.1 49.6 -57.3 -30.7 20.9 -22.8 -39.8 250 289 A L H <4 S+ 0 0 35 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.733 123.4 28.0 -79.9 -24.6 17.9 -22.6 -42.1 251 290 A V H << S+ 0 0 5 -4,-1.0 -2,-0.2 -3,-0.9 -3,-0.1 0.527 75.8 135.8-119.0 -12.0 18.7 -19.2 -43.6 252 291 A V < - 0 0 24 -4,-2.6 151,-0.1 -5,-0.2 152,-0.0 -0.210 47.9-146.2 -47.5 116.9 22.5 -18.8 -43.4 253 292 A P S S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.834 87.5 31.9 -59.3 -38.3 23.4 -17.4 -46.9 254 293 A F > + 0 0 50 145,-0.2 3,-1.2 3,-0.2 149,-0.1 -0.781 48.2 158.9-127.7 86.7 26.7 -19.2 -47.0 255 294 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.648 80.0 80.1 -67.6 -16.0 26.9 -22.6 -45.3 256 295 A S T 3 S+ 0 0 91 1,-0.3 -2,-0.1 -3,-0.1 143,-0.0 0.744 93.4 48.1 -53.2 -30.9 29.8 -22.6 -47.8 257 296 A A S < S- 0 0 9 -3,-1.2 -1,-0.3 142,-0.1 -3,-0.2 -0.899 89.9-167.5-112.6 96.7 31.5 -20.6 -45.1 258 297 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.317 5.2-165.7 -81.1 167.5 30.9 -22.6 -41.8 259 298 A S - 0 0 61 136,-0.1 135,-0.1 135,-0.1 3,-0.0 -0.976 32.2 -78.9-148.6 158.6 31.5 -21.4 -38.3 260 299 A M - 0 0 69 -2,-0.3 2,-0.9 1,-0.1 3,-0.1 -0.218 41.1-115.8 -57.9 141.1 31.7 -22.9 -34.8 261 300 A D > - 0 0 97 1,-0.2 4,-1.9 133,-0.1 3,-0.4 -0.750 29.7-154.9 -76.5 107.9 28.5 -23.9 -32.9 262 301 A T H > S+ 0 0 15 -2,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.859 87.2 52.4 -59.4 -44.1 28.9 -21.4 -30.0 263 302 A T H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.865 109.7 51.0 -61.0 -39.0 26.8 -23.4 -27.5 264 303 A E H > S+ 0 0 108 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.926 110.6 48.5 -61.4 -47.3 28.9 -26.5 -28.1 265 304 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.793 110.3 52.1 -65.9 -31.5 32.2 -24.6 -27.6 266 305 A M H <>S+ 0 0 0 -4,-1.8 5,-2.1 2,-0.2 4,-0.2 0.924 111.4 43.7 -72.1 -48.1 31.0 -23.0 -24.4 267 306 A L H <5S+ 0 0 119 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.812 115.7 51.1 -66.9 -31.4 30.0 -26.3 -22.7 268 307 A K H <5S+ 0 0 166 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.905 108.8 48.6 -70.7 -44.6 33.2 -27.9 -23.9 269 308 A Q T <5S- 0 0 77 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.312 119.8-103.5 -85.3 8.4 35.5 -25.2 -22.6 270 309 A G T 5 + 0 0 47 -3,-0.5 2,-0.5 -4,-0.2 -3,-0.2 0.927 52.7 174.7 73.2 48.9 34.0 -25.1 -19.1 271 310 A W < - 0 0 34 -5,-2.1 -1,-0.2 -6,-0.1 63,-0.1 -0.753 8.5-168.9 -84.7 128.5 31.8 -22.0 -19.2 272 311 A T > - 0 0 62 -2,-0.5 4,-1.6 1,-0.1 5,-0.2 -0.791 35.5-114.8-110.7 158.5 29.7 -21.5 -16.0 273 312 A P H >> S+ 0 0 10 0, 0.0 4,-1.5 0, 0.0 3,-0.6 0.937 121.4 54.1 -55.1 -44.9 26.9 -19.0 -15.4 274 313 A R H 3> S+ 0 0 99 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.887 109.4 48.3 -49.1 -44.1 29.2 -17.4 -12.8 275 314 A R H 3> S+ 0 0 158 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.716 104.3 59.1 -76.0 -24.4 31.9 -17.1 -15.4 276 315 A M H <>S+ 0 0 1 -4,-1.3 5,-1.8 2,-0.2 3,-1.1 0.948 113.0 48.4 -67.4 -49.7 32.4 -2.9 -18.7 285 324 A T H ><5S+ 0 0 50 -4,-2.0 3,-1.5 1,-0.3 -2,-0.2 0.784 102.2 64.1 -63.0 -29.2 35.6 -2.4 -16.6 286 325 A S H 3<5S+ 0 0 11 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.799 99.4 54.1 -63.6 -30.0 37.7 -2.5 -19.8 287 326 A L T <<5S- 0 0 2 -3,-1.1 230,-0.3 -4,-0.7 -1,-0.3 0.480 127.5-104.5 -78.0 -5.1 35.9 0.7 -20.9 288 327 A G T < 5S+ 0 0 59 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.558 78.3 138.3 89.2 10.8 36.9 2.2 -17.6 289 328 A L < - 0 0 11 -5,-1.8 -1,-0.3 1,-0.1 229,-0.1 -0.290 60.7 -69.2 -84.1 171.8 33.5 1.9 -16.1 290 329 A L - 0 0 75 60,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.325 42.4-134.1 -67.5 135.6 32.5 0.7 -12.6 291 330 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 -0.467 32.4 -98.0 -75.9 159.6 33.1 -2.8 -11.3 292 331 A V - 0 0 13 -2,-0.1 5,-0.1 1,-0.1 58,-0.0 -0.611 41.8-109.4 -78.4 139.7 30.4 -4.7 -9.4 293 332 A P >> - 0 0 39 0, 0.0 3,-1.1 0, 0.0 4,-0.7 -0.208 26.3-110.6 -62.3 158.4 30.7 -4.7 -5.6 294 333 A P H >> S+ 0 0 104 0, 0.0 4,-1.5 0, 0.0 3,-0.6 0.822 116.0 66.4 -60.1 -32.9 31.5 -7.9 -3.8 295 334 A E H 3> S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.793 92.3 62.6 -58.8 -31.6 28.0 -8.0 -2.3 296 335 A F H <> S+ 0 0 2 -3,-1.1 4,-1.6 1,-0.2 32,-0.3 0.897 104.5 45.6 -58.3 -44.7 26.7 -8.6 -5.9 297 336 A W H << S+ 0 0 42 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.825 116.6 45.7 -72.4 -32.5 28.6 -11.9 -6.2 298 337 A N H < S+ 0 0 134 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.927 121.8 32.0 -71.7 -49.3 27.5 -13.1 -2.7 299 338 A K H < S+ 0 0 112 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.619 93.1 102.8 -93.2 -16.0 23.8 -12.2 -2.8 300 339 A S < - 0 0 16 -4,-1.6 2,-1.0 -5,-0.3 29,-0.2 -0.427 63.9-139.4 -73.7 142.1 22.9 -12.7 -6.5 301 340 A M B +c 329 0C 14 27,-1.1 29,-2.8 1,-0.2 -1,-0.1 -0.750 35.2 161.5 -98.4 83.2 21.1 -15.8 -7.8 302 341 A L S S+ 0 0 6 -2,-1.0 30,-1.1 27,-0.2 2,-0.3 0.634 70.2 16.6 -82.0 -15.6 23.0 -16.3 -11.0 303 342 A E S S- 0 0 105 28,-0.2 28,-0.2 -3,-0.2 -1,-0.1 -0.971 97.9 -84.3-149.2 157.5 21.8 -19.9 -11.2 304 343 A K - 0 0 119 -2,-0.3 5,-0.1 28,-0.2 -2,-0.0 -0.366 48.2-120.6 -65.7 138.6 19.0 -21.9 -9.6 305 344 A P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.236 13.6-158.3 -76.7 168.1 19.7 -23.4 -6.2 306 345 A T S S+ 0 0 144 3,-0.0 3,-0.1 -2,-0.0 -2,-0.0 0.526 78.9 80.0-119.2 -18.9 19.6 -27.1 -5.1 307 346 A D S S- 0 0 158 1,-0.2 2,-0.3 2,-0.0 -1,-0.0 0.856 113.1 -3.8 -58.7 -38.9 19.1 -26.7 -1.3 308 347 A G S S- 0 0 38 1,-0.1 -1,-0.2 2,-0.0 0, 0.0 -0.970 71.0-131.2-158.0 143.6 15.4 -26.1 -1.8 309 348 A R + 0 0 212 -2,-0.3 -275,-0.2 -3,-0.1 -1,-0.1 0.320 64.5 86.1 -75.0-154.3 13.0 -25.7 -4.8 310 349 A E + 0 0 125 1,-0.2 -276,-1.8 -277,-0.1 2,-0.3 0.982 54.1 141.2 55.3 80.5 10.4 -22.9 -5.4 311 350 A V - 0 0 30 -278,-0.2 2,-0.6 -6,-0.0 -279,-0.2 -0.977 53.8-115.9-140.7 154.4 12.2 -20.0 -7.1 312 351 A V - 0 0 34 -281,-2.4 -204,-0.0 -2,-0.3 -281,-0.0 -0.847 25.6-170.3 -92.3 119.9 11.3 -17.5 -9.9 313 352 A b + 0 0 45 -2,-0.6 18,-1.5 17,-0.1 -1,-0.1 0.528 40.8 123.6 -91.9 -7.8 13.6 -18.2 -12.8 314 353 A H S S- 0 0 44 16,-0.2 2,-0.2 1,-0.1 -2,-0.1 -0.257 70.7-106.0 -57.2 137.7 12.7 -15.1 -14.9 315 354 A A + 0 0 13 15,-0.1 2,-0.3 16,-0.1 15,-0.2 -0.470 54.4 154.7 -70.2 132.3 15.7 -12.9 -15.8 316 355 A S E -D 329 0C 4 13,-1.6 13,-3.1 -2,-0.2 2,-0.4 -0.976 36.6-141.0-160.9 145.9 15.9 -9.7 -13.8 317 356 A A E -DE 328 591C 0 274,-2.2 274,-1.8 -2,-0.3 2,-0.5 -0.932 25.5-150.6-112.0 135.2 18.2 -6.9 -12.5 318 357 A W E -D 327 0C 5 9,-3.6 9,-2.0 -2,-0.4 2,-0.5 -0.908 15.9-166.8-120.7 125.0 17.6 -5.4 -9.1 319 358 A D E -D 326 0C 6 -2,-0.5 7,-0.2 269,-0.3 30,-0.0 -0.909 5.1-167.3 -97.8 130.7 18.2 -2.0 -7.6 320 359 A F - 0 0 0 5,-1.6 -295,-0.2 -2,-0.5 -296,-0.1 0.319 35.6-123.9-103.2 7.2 17.8 -2.0 -3.8 321 360 A Y S S+ 0 0 11 4,-0.2 -300,-0.3 1,-0.1 -301,-0.1 0.857 85.1 108.6 54.7 42.1 17.9 1.8 -3.4 322 361 A N S S- 0 0 67 3,-0.3 -1,-0.1 -302,-0.1 4,-0.1 0.620 81.2-129.2-114.2 -32.7 20.7 1.4 -1.0 323 362 A G S S+ 0 0 8 2,-0.3 33,-0.1 29,-0.0 3,-0.1 0.174 102.8 52.0 90.4 -13.1 23.5 2.8 -3.2 324 363 A K S S+ 0 0 137 1,-0.1 2,-0.7 32,-0.0 -29,-0.2 0.580 91.6 75.7-123.5 -24.1 25.6 -0.3 -2.3 325 364 A D + 0 0 5 -30,-0.1 -5,-1.6 -29,-0.0 2,-0.4 -0.861 47.4 152.2-112.0 109.4 23.3 -3.3 -3.1 326 365 A F E + D 0 319C 5 -2,-0.7 2,-0.3 -7,-0.2 -7,-0.2 -1.000 15.7 174.8-137.1 133.8 22.7 -4.4 -6.7 327 366 A R E - D 0 318C 3 -9,-2.0 -9,-3.6 -2,-0.4 2,-0.4 -0.932 25.1-141.4-140.4 158.6 21.8 -7.9 -7.9 328 367 A I E - D 0 317C 0 -2,-0.3 -27,-1.1 -32,-0.3 2,-0.5 -0.962 12.3-161.8-118.0 140.6 20.9 -10.1 -10.8 329 368 A K E +cD 301 316C 8 -13,-3.1 -13,-1.6 -2,-0.4 2,-0.3 -0.963 31.5 135.3-124.7 112.0 18.3 -13.0 -10.6 330 369 A Q - 0 0 12 -29,-2.8 2,-1.1 -2,-0.5 -16,-0.2 -0.980 53.9-138.0-157.9 139.8 18.4 -15.5 -13.4 331 370 A b - 0 0 24 -18,-1.5 -28,-0.2 -2,-0.3 2,-0.1 -0.666 45.4-162.4 -94.2 73.7 18.4 -19.3 -14.0 332 371 A T - 0 0 13 -2,-1.1 2,-0.4 -30,-1.1 -28,-0.2 -0.352 13.2-156.0 -68.0 132.5 21.1 -19.0 -16.6 333 372 A T - 0 0 71 -2,-0.1 2,-1.0 -60,-0.1 5,-0.2 -0.895 32.1-107.1-102.5 139.4 21.7 -21.8 -19.1 334 373 A V S S+ 0 0 20 -2,-0.4 2,-0.3 -63,-0.1 -67,-0.2 -0.555 75.1 104.8 -73.5 100.7 25.2 -22.0 -20.6 335 374 A N S > S- 0 0 26 -2,-1.0 4,-1.3 -69,-0.1 3,-0.3 -0.967 81.4 -95.7-165.0 170.4 24.8 -20.8 -24.2 336 375 A L H > S+ 0 0 24 -2,-0.3 4,-2.2 1,-0.2 3,-0.2 0.886 119.6 56.3 -62.7 -41.7 25.4 -17.9 -26.6 337 376 A E H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.820 111.4 43.3 -61.0 -35.1 21.8 -16.5 -26.1 338 377 A D H > S+ 0 0 29 -3,-0.3 4,-1.5 -5,-0.2 -1,-0.2 0.665 108.8 57.7 -86.2 -19.2 22.4 -16.3 -22.3 339 378 A L H X S+ 0 0 1 -4,-1.3 4,-1.3 -3,-0.2 -2,-0.2 0.877 109.7 44.9 -74.0 -39.8 25.9 -14.9 -22.7 340 379 A V H X S+ 0 0 23 -4,-2.2 4,-1.7 2,-0.2 3,-0.4 0.943 113.4 50.0 -64.1 -50.0 24.4 -12.0 -24.7 341 380 A V H X S+ 0 0 29 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.842 104.5 59.8 -58.0 -36.5 21.5 -11.6 -22.2 342 381 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.900 105.6 47.5 -58.7 -44.1 24.1 -11.6 -19.3 343 382 A H H X S+ 0 0 0 -4,-1.3 4,-1.3 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