==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAR-11 2YDM . COMPND 2 MOLECULE: ANGIOTENSIN CONVERTING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.AKIF,G.MASUYER,S.L.U.SCHWAGER,B.J.BHUYAN,G.MUGESH,E.D.STUR . 574 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 419 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.6 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 . 19 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 50.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.6 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 3 2 1 1 1 1 1 2 2 2 1 0 0 2 3 0 0 0 0 0 1 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 . 0 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 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 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 0 135 0, 0.0 4,-1.2 0, 0.0 67,-0.1 0.000 360.0 360.0 360.0-149.1 6.6 28.9 -0.7 2 41 A E H > + 0 0 58 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.929 360.0 55.8 -66.5 -46.9 9.8 27.6 -2.4 3 42 A A H > S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.832 108.3 49.1 -54.6 -35.4 11.4 26.8 1.0 4 43 A E H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.815 105.5 57.7 -75.0 -31.0 8.4 24.6 1.8 5 44 A A H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.4 -2,-0.2 0.876 109.5 43.4 -66.7 -38.2 8.6 22.8 -1.5 6 45 A S H X S+ 0 0 39 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.855 110.4 53.6 -83.7 -32.0 12.2 21.6 -1.0 7 46 A K H X S+ 0 0 114 -4,-1.6 4,-2.3 -5,-0.2 5,-0.2 0.944 111.8 49.2 -56.2 -48.9 11.6 20.6 2.7 8 47 A F H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.922 110.6 47.9 -54.2 -49.2 8.8 18.5 1.2 9 48 A V H X S+ 0 0 11 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.927 112.6 49.3 -60.9 -44.4 11.0 17.0 -1.5 10 49 A E H X S+ 0 0 104 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.856 112.6 48.0 -60.8 -38.6 13.7 16.2 1.1 11 50 A E H X S+ 0 0 60 -4,-2.3 4,-2.0 2,-0.2 5,-0.3 0.895 111.5 50.7 -69.9 -41.7 11.1 14.6 3.4 12 51 A Y H X S+ 0 0 23 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.939 109.4 50.1 -57.0 -51.1 9.7 12.6 0.4 13 52 A D H X S+ 0 0 28 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.863 111.8 45.9 -64.3 -40.0 13.1 11.2 -0.7 14 53 A R H X S+ 0 0 141 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.937 117.9 40.8 -72.7 -45.8 14.2 10.0 2.7 15 54 A T H X S+ 0 0 55 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.873 113.2 56.2 -67.1 -36.2 10.9 8.2 3.7 16 55 A S H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.3 5,-0.3 0.882 103.4 56.1 -58.9 -38.8 10.6 6.9 0.1 17 56 A Q H X S+ 0 0 61 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.977 110.8 41.6 -55.7 -60.3 14.0 5.3 0.5 18 57 A V H X S+ 0 0 87 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.892 121.1 41.4 -51.3 -50.3 13.1 3.3 3.6 19 58 A V H X S+ 0 0 17 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.935 114.2 49.2 -74.8 -45.3 9.6 2.3 2.3 20 59 A W H X S+ 0 0 40 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.868 110.6 55.5 -58.3 -34.1 10.7 1.5 -1.3 21 60 A N H X S+ 0 0 49 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.901 107.6 45.8 -66.7 -41.7 13.4 -0.6 0.3 22 61 A E H X S+ 0 0 84 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.829 113.0 52.2 -68.8 -34.6 11.1 -2.7 2.4 23 62 A Y H X S+ 0 0 50 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.929 105.6 52.7 -66.2 -46.8 8.8 -3.2 -0.7 24 63 A A H X S+ 0 0 7 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.898 108.4 50.6 -60.4 -42.2 11.5 -4.4 -3.0 25 64 A E H X S+ 0 0 99 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.962 112.7 45.0 -59.1 -53.5 12.7 -7.1 -0.6 26 65 A A H X S+ 0 0 7 -4,-1.7 4,-1.7 1,-0.2 16,-0.2 0.917 115.1 49.4 -55.4 -45.1 9.2 -8.5 -0.1 27 66 A N H X S+ 0 0 35 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.853 112.9 47.6 -58.7 -38.4 8.7 -8.2 -3.9 28 67 A W H X S+ 0 0 16 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.873 106.9 56.4 -72.5 -38.6 12.0 -10.0 -4.4 29 68 A N H < S+ 0 0 68 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.838 112.6 42.2 -63.5 -34.8 11.0 -12.7 -1.8 30 69 A Y H >< S+ 0 0 3 -4,-1.7 3,-1.7 8,-0.2 -2,-0.2 0.936 112.9 52.2 -72.1 -52.1 7.9 -13.5 -3.9 31 70 A N H 3< S+ 0 0 17 -4,-2.4 281,-2.7 1,-0.3 3,-0.3 0.798 116.8 38.8 -55.7 -34.9 9.6 -13.3 -7.3 32 71 A T T 3< S+ 0 0 14 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.281 131.0 27.1-101.1 9.0 12.4 -15.7 -6.2 33 72 A N S < S- 0 0 53 -3,-1.7 2,-0.6 -5,-0.1 5,-0.3 -0.277 74.2-161.2-168.6 68.2 10.1 -18.0 -4.2 34 73 A I + 0 0 16 276,-2.4 276,-0.4 -3,-0.3 2,-0.3 -0.440 38.2 129.6 -64.3 105.5 6.5 -18.1 -5.3 35 74 A T S > S- 0 0 47 -2,-0.6 4,-1.6 274,-0.1 5,-0.1 -0.908 70.7 -97.6-146.3 173.5 4.4 -19.4 -2.4 36 75 A T H > S+ 0 0 101 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.875 119.1 51.2 -63.4 -40.4 1.3 -18.4 -0.5 37 76 A E H > S+ 0 0 135 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 109.8 47.2 -67.1 -43.6 3.3 -16.8 2.4 38 77 A T H > S+ 0 0 17 -5,-0.3 4,-2.6 2,-0.2 -8,-0.2 0.845 113.5 51.0 -68.1 -30.8 5.5 -14.6 0.2 39 78 A S H X S+ 0 0 15 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.918 108.8 49.2 -68.6 -48.8 2.4 -13.6 -1.7 40 79 A K H X S+ 0 0 129 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.911 114.7 46.1 -56.7 -45.2 0.5 -12.7 1.5 41 80 A I H X S+ 0 0 82 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.919 112.5 49.4 -66.3 -44.3 3.5 -10.7 2.6 42 81 A L H X S+ 0 0 9 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.917 110.2 52.0 -59.8 -42.1 3.9 -9.0 -0.8 43 82 A L H X S+ 0 0 36 -4,-3.1 4,-0.8 1,-0.2 -1,-0.2 0.849 110.8 48.4 -63.3 -37.8 0.2 -8.1 -0.7 44 83 A Q H >X S+ 0 0 113 -4,-1.7 4,-1.8 2,-0.2 3,-0.5 0.883 107.7 51.7 -67.3 -44.7 0.6 -6.5 2.8 45 84 A K H 3X S+ 0 0 53 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.774 102.4 65.2 -64.0 -26.5 3.7 -4.4 1.9 46 85 A N H 3X S+ 0 0 11 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.875 101.3 46.4 -59.5 -42.7 1.6 -3.2 -1.0 47 86 A M H < S+ 0 0 65 -4,-1.2 3,-1.6 -5,-0.3 -2,-0.2 0.919 109.2 56.1 -59.2 -47.0 0.5 16.8 -0.0 60 99 A A H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.843 101.8 57.0 -58.7 -34.8 2.2 17.3 -3.4 61 100 A R H 3< S+ 0 0 110 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.675 93.7 67.1 -73.1 -18.1 -1.1 18.3 -5.0 62 101 A K T << S+ 0 0 176 -3,-1.6 2,-0.4 -4,-0.5 -1,-0.3 0.448 88.4 88.4 -81.1 -0.2 -1.4 21.1 -2.5 63 102 A F S < S- 0 0 37 -3,-1.5 2,-1.0 -4,-0.2 3,-0.1 -0.833 76.9-138.3 -95.9 134.1 1.6 22.6 -4.2 64 103 A D > - 0 0 84 -2,-0.4 3,-1.0 1,-0.2 4,-0.3 -0.837 13.1-162.7 -88.2 106.7 1.1 24.9 -7.2 65 104 A V G > S+ 0 0 17 -2,-1.0 3,-0.7 1,-0.3 -1,-0.2 0.714 85.6 65.1 -61.5 -22.4 3.9 23.6 -9.4 66 105 A N G 3 S+ 0 0 123 1,-0.2 -1,-0.3 -3,-0.1 8,-0.0 0.853 95.8 54.0 -70.1 -37.2 3.6 26.9 -11.4 67 106 A Q G < S+ 0 0 149 -3,-1.0 2,-0.5 7,-0.0 -1,-0.2 0.499 87.4 105.8 -76.3 -4.7 4.7 29.1 -8.5 68 107 A L < - 0 0 13 -3,-0.7 6,-0.1 -4,-0.3 -3,-0.0 -0.690 49.8-167.7 -91.9 124.3 8.0 27.2 -8.0 69 108 A Q + 0 0 163 -2,-0.5 2,-0.2 4,-0.0 -1,-0.1 0.955 67.4 77.2 -71.7 -56.0 11.3 28.7 -9.1 70 109 A N > - 0 0 72 1,-0.2 4,-2.0 2,-0.1 5,-0.1 -0.427 64.3-158.2 -66.5 124.2 13.6 25.7 -8.9 71 110 A T H > S+ 0 0 81 -2,-0.2 4,-2.6 2,-0.2 5,-0.2 0.908 90.6 56.5 -70.7 -43.8 13.0 23.4 -11.8 72 111 A T H > S+ 0 0 57 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.904 112.8 41.9 -52.4 -44.8 14.5 20.3 -10.1 73 112 A I H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.904 111.3 57.6 -68.5 -42.7 11.9 20.7 -7.2 74 113 A K H X S+ 0 0 70 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.912 108.3 46.2 -48.0 -50.5 9.2 21.5 -9.8 75 114 A R H X S+ 0 0 30 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.767 111.6 49.2 -73.3 -31.3 9.7 18.2 -11.5 76 115 A I H X S+ 0 0 2 -4,-1.2 4,-2.7 -5,-0.2 5,-0.2 0.959 112.4 46.4 -73.8 -52.5 9.8 16.0 -8.4 77 116 A I H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.904 111.1 53.6 -55.8 -46.1 6.7 17.4 -6.9 78 117 A K H < S+ 0 0 116 -4,-2.1 3,-0.2 -5,-0.3 -1,-0.2 0.874 111.2 46.1 -54.3 -43.0 4.9 17.1 -10.3 79 118 A K H >< S+ 0 0 68 -4,-1.3 3,-1.9 1,-0.2 -2,-0.2 0.901 107.5 56.8 -69.4 -39.7 5.9 13.4 -10.4 80 119 A V H 3< S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.713 91.3 72.9 -65.0 -20.2 4.8 12.9 -6.8 81 120 A Q T 3< S+ 0 0 45 -4,-1.2 2,-0.8 -3,-0.2 -1,-0.3 0.599 80.5 85.3 -70.7 -10.2 1.3 14.1 -7.8 82 121 A D < + 0 0 31 -3,-1.9 -1,-0.1 1,-0.1 4,-0.1 -0.851 55.6 179.5 -94.7 107.0 0.9 10.8 -9.6 83 122 A L > - 0 0 7 -2,-0.8 3,-1.6 1,-0.3 -1,-0.1 0.554 19.8-163.9 -83.1 -12.7 -0.3 8.3 -7.0 84 123 A E G > S- 0 0 101 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 -0.312 70.2 -8.1 56.4-138.2 -0.4 5.5 -9.5 85 124 A R G > S+ 0 0 72 1,-0.3 3,-2.5 2,-0.2 -1,-0.3 0.797 127.2 75.2 -55.6 -27.7 -2.5 2.5 -8.3 86 125 A A G < S+ 0 0 7 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.619 76.7 75.6 -68.2 -8.3 -2.7 4.2 -4.9 87 126 A A G < S+ 0 0 19 -3,-2.1 -1,-0.3 2,-0.0 -2,-0.2 0.680 81.0 99.8 -65.6 -17.5 -5.2 6.6 -6.4 88 127 A L S < S- 0 0 10 -3,-2.5 5,-0.1 -4,-0.2 80,-0.0 -0.454 86.8-103.4 -76.1 141.5 -7.6 3.7 -6.1 89 128 A P > - 0 0 64 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.260 44.4-102.4 -50.2 152.4 -10.2 3.3 -3.2 90 129 A A H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.774 118.3 47.1 -59.9 -38.0 -9.0 0.7 -0.7 91 130 A Q H > S+ 0 0 152 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 116.1 43.7 -71.7 -46.6 -11.2 -2.2 -1.9 92 131 A E H > S+ 0 0 53 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.783 112.3 54.8 -65.1 -31.8 -10.4 -1.7 -5.6 93 132 A L H X S+ 0 0 12 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.849 109.7 46.2 -71.2 -32.8 -6.8 -1.3 -4.7 94 133 A E H X S+ 0 0 116 -4,-1.4 4,-1.8 -5,-0.2 -2,-0.2 0.904 114.8 47.1 -78.4 -38.1 -6.8 -4.6 -2.9 95 134 A E H X S+ 0 0 81 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.950 111.7 51.6 -59.6 -51.5 -8.6 -6.2 -5.8 96 135 A Y H X S+ 0 0 8 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.918 110.1 48.1 -53.1 -49.7 -6.2 -4.6 -8.3 97 136 A N H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.910 111.5 50.9 -56.7 -41.2 -3.1 -5.9 -6.4 98 137 A K H X S+ 0 0 105 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.912 108.1 52.2 -66.8 -43.4 -4.6 -9.4 -6.2 99 138 A I H X S+ 0 0 12 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.961 110.8 46.8 -52.9 -57.7 -5.3 -9.5 -9.9 100 139 A L H X S+ 0 0 23 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.939 114.2 46.8 -53.5 -54.3 -1.7 -8.5 -10.8 101 140 A L H X S+ 0 0 18 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.841 113.5 49.7 -55.7 -36.8 -0.3 -11.1 -8.4 102 141 A D H X S+ 0 0 50 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.870 111.2 48.5 -72.4 -37.0 -2.7 -13.7 -9.7 103 142 A M H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.842 113.3 47.8 -66.4 -37.7 -1.8 -12.9 -13.3 104 143 A E H X S+ 0 0 26 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.913 113.8 45.4 -73.6 -42.5 2.0 -13.1 -12.5 105 144 A T H X S+ 0 0 33 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.953 112.0 52.8 -61.6 -52.7 1.7 -16.4 -10.6 106 145 A T H X S+ 0 0 37 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.924 113.5 43.4 -46.9 -51.3 -0.5 -17.9 -13.3 107 146 A Y H >< S+ 0 0 12 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.913 115.7 47.4 -64.1 -43.3 2.1 -17.0 -16.0 108 147 A S H 3< S+ 0 0 19 -4,-2.4 203,-0.2 1,-0.2 -1,-0.2 0.783 115.9 41.1 -78.0 -25.7 5.1 -18.1 -14.1 109 148 A V H 3< S+ 0 0 46 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.431 85.3 124.2-100.5 1.7 3.9 -21.5 -12.9 110 149 A A << - 0 0 18 -4,-0.7 12,-0.5 -3,-0.5 2,-0.3 -0.302 37.5-172.7 -66.6 141.9 2.2 -22.5 -16.2 111 150 A T E -A 121 0A 45 10,-0.1 2,-0.6 34,-0.1 10,-0.2 -0.948 23.4-140.0-132.7 156.2 3.2 -25.8 -17.8 112 151 A V E -A 120 0A 5 8,-2.3 8,-1.9 -2,-0.3 2,-0.4 -0.947 30.3-156.8-116.3 109.1 2.5 -27.6 -21.1 113 152 A a E -A 119 0A 52 -2,-0.6 6,-0.2 6,-0.2 5,-0.1 -0.718 14.1-131.9 -99.5 132.7 2.0 -31.3 -20.5 114 153 A H > - 0 0 83 4,-2.8 3,-1.2 -2,-0.4 -1,-0.0 -0.523 41.6-101.8 -66.5 144.2 2.4 -34.3 -22.8 115 154 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.783 110.9 4.3 -38.4 -49.1 -0.6 -36.7 -22.5 116 155 A N T 3 S+ 0 0 162 2,-0.0 2,-0.1 0, 0.0 -3,-0.0 0.056 131.6 22.5-131.5 24.0 1.2 -39.3 -20.3 117 156 A G S < S+ 0 0 50 -3,-1.2 2,-0.0 1,-0.3 -4,-0.0 -0.192 89.0 34.5-150.4-122.7 4.6 -37.8 -19.6 118 157 A S - 0 0 83 -5,-0.1 -4,-2.8 -2,-0.1 2,-0.5 -0.231 45.4-151.2 -66.4 136.1 6.7 -34.6 -19.3 119 158 A a E -A 113 0A 69 -6,-0.2 2,-0.4 -8,-0.0 -6,-0.2 -0.943 21.9-150.0-102.0 127.4 5.3 -31.3 -18.2 120 159 A L E -A 112 0A 19 -8,-1.9 -8,-2.3 -2,-0.5 2,-0.2 -0.818 5.9-149.8-109.1 134.9 7.3 -28.4 -19.8 121 160 A Q E > -A 111 0A 65 -2,-0.4 5,-1.7 -10,-0.2 6,-0.3 -0.650 29.4-115.0 -94.0 154.8 8.0 -25.0 -18.4 122 161 A L T >S+ 0 0 16 -12,-0.5 5,-2.1 -2,-0.2 4,-0.5 0.948 94.6 79.2 -56.2 -49.4 8.4 -22.0 -20.7 123 162 A E T 5S- 0 0 44 1,-0.2 -1,-0.2 3,-0.2 -2,-0.0 -0.930 119.2 -24.6-111.8 123.3 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506 548 A H G 3 S+ 0 0 6 47,-0.3 -1,-0.3 1,-0.3 47,-0.1 0.639 95.1 61.0 -73.0 -11.9 29.0 -2.9 -38.0 507 549 A K G < S+ 0 0 131 -3,-2.0 -1,-0.3 -123,-0.1 -2,-0.2 0.459 81.6 114.9 -92.0 -4.3 32.7 -3.6 -37.6 508 550 A c < - 0 0 10 -3,-1.4 2,-0.4 -4,-0.2 -124,-0.1 -0.423 39.6-178.0 -71.4 141.0 33.1 -1.5 -34.5 509 551 A D - 0 0 36 -2,-0.1 -131,-0.1 -13,-0.1 -128,-0.1 -0.961 9.0-169.2-137.6 118.4 34.0 -2.9 -31.1 510 552 A I > + 0 0 0 -2,-0.4 3,-2.4 -132,-0.1 6,-0.2 0.344 33.1 145.1 -92.7 6.9 34.1 -0.5 -28.2 511 553 A Y T 3 S+ 0 0 77 1,-0.3 3,-0.1 -133,-0.1 -2,-0.1 -0.195 75.9 4.6 -49.3 131.2 35.7 -2.8 -25.7 512 554 A Q T 3 S+ 0 0 121 -229,-0.4 2,-0.8 1,-0.2 -1,-0.3 0.330 87.6 145.3 74.9 -1.5 38.1 -0.9 -23.4 513 555 A S <> - 0 0 11 -3,-2.4 4,-1.9 1,-0.2 -1,-0.2 -0.559 28.3-173.4 -73.3 107.5 37.3 2.5 -24.8 514 556 A K H > S+ 0 0 109 -2,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.774 84.1 59.7 -69.5 -29.1 37.5 5.0 -21.9 515 557 A E H > S+ 0 0 117 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.861 106.4 47.3 -67.9 -36.9 36.1 7.8 -24.1 516 558 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.922 109.5 52.9 -69.6 -46.8 32.9 5.7 -24.7 517 559 A G H X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.850 106.4 54.9 -54.3 -36.5 32.6 5.0 -21.0 518 560 A Q H X S+ 0 0 119 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.939 107.5 48.6 -68.8 -43.7 32.8 8.7 -20.3 519 561 A R H X S+ 0 0 84 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.954 114.4 44.2 -59.1 -53.3 30.0 9.5 -22.6 520 562 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.913 113.6 51.7 -57.5 -47.2 27.6 6.9 -21.3 521 563 A A H X S+ 0 0 9 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.912 108.4 48.8 -55.3 -49.5 28.5 7.7 -17.6 522 564 A T H X S+ 0 0 55 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.887 115.9 46.7 -62.1 -36.2 27.8 11.5 -17.9 523 565 A A H < S+ 0 0 2 -4,-1.7 3,-0.5 -5,-0.2 -2,-0.2 0.873 112.2 48.0 -70.9 -41.2 24.5 10.6 -19.6 524 566 A M H >< S+ 0 0 1 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.748 100.4 65.7 -73.1 -27.4 23.5 7.9 -17.0 525 567 A K H 3< S+ 0 0 112 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.790 89.1 68.2 -67.0 -27.9 24.3 10.2 -13.9 526 568 A L T >< S+ 0 0 42 -4,-0.6 3,-2.8 -3,-0.5 -1,-0.3 0.723 76.6 174.3 -57.9 -23.8 21.5 12.5 -15.0 527 569 A G T < - 0 0 1 -3,-1.3 3,-0.3 1,-0.3 -1,-0.2 -0.266 69.9 -31.5 44.2-124.5 19.0 9.8 -14.1 528 570 A F T 3 S+ 0 0 23 -166,-3.2 -1,-0.3 1,-0.1 -165,-0.1 -0.042 111.4 106.7-109.4 30.0 15.5 11.3 -14.5 529 571 A S S < S+ 0 0 23 -3,-2.8 -1,-0.1 -167,-0.2 -2,-0.1 0.688 80.7 34.4 -83.9 -20.3 16.6 14.9 -13.6 530 572 A R S S- 0 0 113 -3,-0.3 5,-0.1 -4,-0.2 2,-0.1 -0.902 98.5 -88.0-128.4 158.8 16.4 16.4 -17.1 531 573 A P >> - 0 0 54 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.468 49.1-109.2 -64.8 146.2 14.2 15.8 -20.1 532 574 A W H >> S+ 0 0 15 -166,-0.5 4,-2.7 1,-0.3 3,-0.7 0.765 109.7 73.2 -48.2 -36.4 15.7 12.9 -22.2 533 575 A P H 3> S+ 0 0 47 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.786 92.7 59.5 -57.5 -21.6 16.8 15.0 -25.2 534 576 A E H <> S+ 0 0 76 -3,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.928 108.8 41.7 -67.6 -44.7 19.6 16.3 -22.9 535 577 A A H S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.473 76.6 97.4 -82.3 -4.8 16.6 5.6 -37.4 548 590 A S H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.818 78.0 50.5 -60.6 -40.6 19.7 6.7 -39.4 549 591 A A H > S+ 0 0 1 -3,-0.4 4,-3.5 2,-0.2 -1,-0.2 0.902 112.9 47.1 -63.0 -45.3 22.4 4.8 -37.4 550 592 A M H > S+ 0 0 0 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.904 112.8 48.9 -65.0 -42.3 20.5 1.6 -37.6 551 593 A L H < S+ 0 0 44 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.906 114.3 48.0 -60.3 -37.5 19.9 2.1 -41.3 552 594 A S H >< S+ 0 0 53 -4,-2.3 3,-1.2 -5,-0.2 -2,-0.2 0.920 106.9 54.3 -71.8 -45.8 23.6 2.8 -41.6 553 595 A Y H 3< S+ 0 0 0 -4,-3.5 -47,-0.3 1,-0.2 4,-0.2 0.930 119.8 34.0 -50.0 -49.2 24.6 -0.3 -39.6 554 596 A F T 3X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.267 84.5 110.1 -93.5 9.1 22.6 -2.5 -41.9 555 597 A K H <> S+ 0 0 102 -3,-1.2 4,-2.3 1,-0.2 5,-0.2 0.919 79.4 49.0 -56.3 -46.5 23.1 -0.6 -45.2 556 598 A P H > S+ 0 0 45 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.882 112.7 49.3 -62.6 -35.2 25.4 -3.3 -46.7 557 599 A L H > S+ 0 0 0 2,-0.2 4,-3.0 -4,-0.2 -2,-0.2 0.864 107.1 54.9 -66.8 -36.8 22.8 -5.9 -45.8 558 600 A L H X S+ 0 0 13 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.955 108.3 48.8 -61.8 -49.3 20.0 -3.9 -47.3 559 601 A D H X S+ 0 0 69 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.927 114.0 46.0 -51.0 -49.3 21.9 -3.7 -50.6 560 602 A W H X S+ 0 0 45 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.919 111.8 50.6 -66.5 -44.8 22.5 -7.5 -50.5 561 603 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.855 110.3 50.6 -57.4 -40.0 18.9 -8.3 -49.6 562 604 A R H X S+ 0 0 103 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.973 112.2 45.2 -65.1 -53.4 17.5 -6.1 -52.4 563 605 A T H X S+ 0 0 83 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.913 117.9 46.1 -49.1 -48.8 19.7 -7.7 -55.1 564 606 A E H X S+ 0 0 40 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.913 112.4 45.9 -70.3 -49.9 18.9 -11.2 -53.7 565 607 A N H <>S+ 0 0 4 -4,-3.0 5,-3.0 1,-0.2 4,-0.3 0.847 113.0 55.0 -60.5 -34.5 15.1 -10.8 -53.3 566 608 A E H ><5S+ 0 0 143 -4,-2.4 3,-1.3 -5,-0.3 -2,-0.2 0.939 105.7 48.5 -62.0 -50.3 15.1 -9.3 -56.8 567 609 A L H 3<5S+ 0 0 116 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.778 112.7 48.0 -68.2 -27.6 16.8 -12.2 -58.5 568 610 A H T 3<5S- 0 0 75 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.492 114.0-124.4 -82.2 -4.7 14.4 -14.7 -56.8 569 611 A G T < 5 - 0 0 51 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.862 42.2-177.0 62.7 38.5 11.6 -12.4 -58.0 570 612 A E < - 0 0 21 -5,-3.0 2,-0.6 -6,-0.1 -1,-0.1 -0.305 25.0-141.2 -62.0 148.0 10.2 -11.9 -54.5 571 613 A K - 0 0 139 -344,-0.5 -1,-0.1 2,-0.1 -5,-0.0 -0.912 26.9-136.6-112.7 97.5 7.0 -9.8 -54.0 572 614 A L + 0 0 85 -2,-0.6 2,-0.2 2,-0.1 -365,-0.1 -0.184 62.4 13.9 -57.0 142.0 7.7 -7.9 -50.8 573 615 A G S S- 0 0 11 -367,-0.4 2,-0.3 -344,-0.1 -2,-0.1 -0.466 89.1 -79.5 89.2-163.3 4.9 -7.7 -48.3 574 616 A W 0 0 53 -2,-0.2 -345,-0.2 1,-0.1 -1,-0.1 -0.902 360.0 360.0-155.5 101.3 1.6 -9.6 -48.0 575 617 A Q 0 0 232 -347,-0.9 -346,-0.1 -2,-0.3 -1,-0.1 0.823 360.0 360.0 -71.5 360.0 -1.4 -8.7 -50.1