==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JUN-06 2IUL . COMPND 2 MOLECULE: ANGIOTENSIN-CONVERTING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.WATERMEYER,B.T.SEWELL,R.NATESH,H.R.CORRADI,K.R.ACHARYA, . 583 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 71.2 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 1.5 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 . 17 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 49.7 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 1 3 1 1 1 1 1 1 1 3 1 0 0 0 2 3 0 0 0 0 1 0 0 0 0 2 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 0 113 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -69.9 35.4 70.4 65.7 2 41 A E H > + 0 0 64 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.788 360.0 44.2 -68.1 -33.5 39.1 69.9 64.9 3 42 A A H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 115.6 47.9 -75.8 -43.3 40.3 69.0 68.4 4 43 A E H > S+ 0 0 137 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.876 110.9 53.4 -62.1 -38.5 37.3 66.6 69.1 5 44 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.916 108.9 47.4 -63.4 -47.6 37.9 65.0 65.6 6 45 A S H X S+ 0 0 46 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.911 114.2 46.9 -59.7 -47.9 41.5 64.2 66.3 7 46 A K H X S+ 0 0 114 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.905 110.3 53.5 -62.4 -44.3 40.7 62.8 69.8 8 47 A F H X S+ 0 0 5 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.929 109.1 48.5 -54.2 -48.8 37.9 60.7 68.4 9 48 A V H X S+ 0 0 14 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.886 111.0 50.4 -62.4 -41.8 40.2 59.2 65.7 10 49 A E H X S+ 0 0 97 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.917 114.2 44.4 -60.7 -45.7 42.9 58.4 68.4 11 50 A E H X S+ 0 0 60 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.921 112.7 51.7 -67.2 -45.0 40.3 56.7 70.6 12 51 A Y H X S+ 0 0 23 -4,-3.2 4,-2.8 -5,-0.2 5,-0.2 0.941 110.5 50.0 -52.5 -49.1 38.7 54.9 67.6 13 52 A D H X S+ 0 0 33 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.897 111.9 43.8 -64.6 -45.4 42.2 53.5 66.6 14 53 A R H X S+ 0 0 144 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.904 118.2 44.5 -70.0 -38.0 43.3 52.1 70.0 15 54 A T H X S+ 0 0 43 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.900 112.5 51.9 -70.6 -41.3 39.9 50.5 70.7 16 55 A S H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.3 5,-0.4 0.877 102.1 60.7 -60.0 -41.1 39.6 49.1 67.2 17 56 A Q H X S+ 0 0 59 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.921 111.0 40.2 -52.2 -46.7 43.0 47.5 67.4 18 57 A V H X S+ 0 0 82 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.922 118.4 44.6 -69.9 -47.8 41.9 45.4 70.4 19 58 A V H X S+ 0 0 21 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.909 115.2 47.3 -67.1 -41.7 38.4 44.5 69.1 20 59 A W H X S+ 0 0 36 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.855 110.5 53.0 -69.5 -36.2 39.5 43.7 65.5 21 60 A N H X S+ 0 0 48 -4,-1.5 4,-2.0 -5,-0.4 -1,-0.2 0.925 110.5 47.2 -62.1 -46.0 42.4 41.5 66.9 22 61 A E H X S+ 0 0 72 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.895 113.8 47.9 -63.2 -41.7 39.9 39.5 69.0 23 62 A Y H X S+ 0 0 47 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.906 109.1 52.5 -64.1 -45.7 37.5 39.1 66.1 24 63 A A H X S+ 0 0 7 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.879 107.0 54.4 -59.3 -40.4 40.2 38.0 63.7 25 64 A E H X S+ 0 0 33 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.939 111.6 43.1 -56.1 -51.9 41.3 35.3 66.2 26 65 A A H X S+ 0 0 7 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.888 114.3 50.7 -63.7 -42.1 37.8 33.9 66.5 27 66 A N H X S+ 0 0 40 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.932 111.7 48.1 -61.1 -46.2 37.4 34.1 62.7 28 67 A W H X S+ 0 0 14 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.926 108.2 54.5 -56.9 -48.9 40.7 32.3 62.2 29 68 A N H < S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 112.4 43.9 -58.1 -38.3 39.8 29.6 64.7 30 69 A Y H >< S+ 0 0 5 -4,-1.9 3,-1.5 8,-0.2 -1,-0.2 0.939 112.3 51.4 -68.3 -51.9 36.6 28.8 62.8 31 70 A N H 3< S+ 0 0 14 -4,-2.6 281,-3.2 1,-0.3 3,-0.2 0.765 118.1 38.3 -58.6 -28.9 38.2 28.9 59.3 32 71 A T T 3< S+ 0 0 7 -4,-2.0 -1,-0.3 279,-0.2 -2,-0.2 0.293 129.9 30.2-105.2 6.9 40.9 26.5 60.4 33 72 A N S < S- 0 0 58 -3,-1.5 2,-1.0 -5,-0.2 5,-0.2 -0.379 72.8-160.5-166.6 74.5 38.7 24.3 62.5 34 73 A I + 0 0 25 276,-3.4 2,-0.3 -3,-0.2 276,-0.2 -0.480 37.9 133.8 -73.6 98.9 35.0 24.1 61.4 35 74 A T > - 0 0 56 -2,-1.0 4,-1.5 1,-0.1 5,-0.1 -0.861 68.9-106.3-134.4 170.4 33.1 23.0 64.5 36 75 A T H > S+ 0 0 124 -2,-0.3 4,-2.5 2,-0.2 5,-0.1 0.919 119.6 51.3 -60.0 -44.8 29.9 23.9 66.3 37 76 A E H > S+ 0 0 141 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.925 110.6 45.0 -61.0 -50.4 32.0 25.4 69.2 38 77 A T H > S+ 0 0 16 -5,-0.2 4,-1.7 1,-0.2 -8,-0.2 0.786 112.7 54.2 -67.5 -27.6 34.1 27.6 66.9 39 78 A S H X S+ 0 0 20 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.930 108.9 47.6 -64.7 -50.7 30.9 28.7 65.1 40 79 A K H X S+ 0 0 160 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.924 113.0 47.9 -57.2 -49.6 29.3 29.7 68.3 41 80 A I H X S+ 0 0 70 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.866 112.6 49.6 -61.1 -40.1 32.3 31.7 69.5 42 81 A L H X S+ 0 0 7 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.963 109.5 49.6 -63.1 -53.0 32.6 33.4 66.1 43 82 A L H X S+ 0 0 50 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.823 112.4 50.6 -56.4 -32.4 28.9 34.4 66.0 44 83 A Q H >X S+ 0 0 106 -4,-1.8 4,-1.3 -5,-0.2 3,-0.6 0.886 107.4 50.6 -70.0 -44.3 29.4 35.8 69.5 45 84 A K H 3X S+ 0 0 42 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.783 101.4 66.1 -65.8 -27.6 32.5 37.8 68.6 46 85 A N H 3X S+ 0 0 10 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.882 101.7 47.2 -53.9 -43.3 30.3 39.2 65.7 47 86 A M H < S+ 0 0 54 -4,-1.4 3,-1.4 -5,-0.3 4,-0.3 0.893 107.9 55.1 -67.6 -42.5 29.7 59.1 67.1 60 99 A A H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.810 100.4 60.3 -60.4 -33.5 31.4 59.6 63.7 61 100 A R T 3< S+ 0 0 107 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.542 91.6 68.7 -75.7 -8.7 28.2 60.6 62.1 62 101 A K T < S+ 0 0 148 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.3 0.652 85.9 86.4 -81.4 -18.2 27.9 63.5 64.5 63 102 A F S < S- 0 0 23 -3,-1.2 2,-1.1 -4,-0.3 3,-0.1 -0.654 79.4-132.5 -83.6 138.3 30.9 65.2 62.8 64 103 A D > - 0 0 93 -2,-0.3 3,-1.2 1,-0.2 -3,-0.1 -0.803 27.1-171.3 -85.9 97.2 30.5 67.4 59.7 65 104 A V G > S+ 0 0 7 -2,-1.1 3,-1.6 1,-0.3 -1,-0.2 0.880 78.1 54.9 -62.8 -46.1 33.3 65.8 57.7 66 105 A N G 3 S+ 0 0 122 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.491 103.6 60.5 -70.0 -2.0 33.4 68.2 54.8 67 106 A Q G < S+ 0 0 136 -3,-1.2 2,-0.4 7,-0.0 -1,-0.3 0.057 84.3 104.2-109.6 20.6 33.9 71.0 57.4 68 107 A L < - 0 0 11 -3,-1.6 6,-0.1 1,-0.1 -3,-0.0 -0.885 60.0-149.8-109.9 136.9 37.1 69.5 58.8 69 108 A Q S S+ 0 0 175 -2,-0.4 2,-0.2 4,-0.0 -1,-0.1 0.944 73.2 75.8 -69.0 -54.9 40.6 70.9 58.0 70 109 A N > - 0 0 69 1,-0.1 4,-2.0 -68,-0.0 5,-0.1 -0.455 62.8-155.3 -71.4 129.7 42.9 67.9 58.2 71 110 A T H > S+ 0 0 78 -2,-0.2 4,-2.2 2,-0.2 5,-0.2 0.900 92.8 49.1 -66.0 -48.4 42.7 65.5 55.2 72 111 A T H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 115.6 43.9 -61.6 -44.0 43.9 62.3 57.0 73 112 A I H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.898 111.9 52.3 -67.5 -44.3 41.4 62.8 59.9 74 113 A K H X S+ 0 0 41 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.897 110.4 49.8 -59.4 -42.7 38.4 63.7 57.6 75 114 A R H X S+ 0 0 27 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.850 110.1 49.3 -64.7 -41.3 39.1 60.5 55.6 76 115 A I H X S+ 0 0 4 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.962 112.5 47.0 -63.6 -51.5 39.1 58.3 58.7 77 116 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.875 107.7 56.3 -60.4 -41.2 35.9 59.8 60.1 78 117 A K H < S+ 0 0 97 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.932 110.5 46.0 -53.5 -46.9 34.1 59.4 56.7 79 118 A K H >< S+ 0 0 57 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.889 107.6 55.0 -64.3 -43.4 35.0 55.7 56.8 80 119 A V H 3< S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.792 95.6 68.2 -63.8 -29.9 33.9 55.1 60.4 81 120 A Q T 3< S+ 0 0 49 -4,-1.7 2,-0.9 -21,-0.2 -1,-0.3 0.713 84.2 83.1 -59.3 -23.5 30.4 56.6 59.6 82 121 A D < - 0 0 33 -3,-1.5 90,-0.1 -4,-0.4 -1,-0.1 -0.789 58.3-179.1 -86.5 107.6 29.9 53.5 57.4 83 122 A L > - 0 0 10 -2,-0.9 3,-1.7 1,-0.3 -1,-0.2 0.592 16.3-165.7 -80.6 -12.0 28.8 50.8 59.9 84 123 A E G > S- 0 0 127 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 -0.386 72.6 -6.9 50.3-129.6 28.6 48.1 57.2 85 124 A R G > S+ 0 0 85 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.737 125.8 75.2 -65.8 -22.1 26.6 45.2 58.6 86 125 A A G < S+ 0 0 9 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.530 80.0 74.2 -67.9 -6.5 26.5 46.7 62.1 87 126 A A G < S+ 0 0 19 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.675 76.8 98.8 -74.8 -21.4 23.8 49.1 60.7 88 127 A L S < S- 0 0 8 -3,-1.9 76,-0.0 -4,-0.2 80,-0.0 -0.418 87.8-103.6 -66.7 140.7 21.3 46.3 60.8 89 128 A P > - 0 0 61 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.294 44.3 -97.8 -57.0 153.2 18.9 46.0 63.7 90 129 A A H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.814 121.7 48.8 -46.5 -46.7 19.9 43.3 66.2 91 130 A Q H > S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 114.8 43.5 -64.1 -48.3 17.5 40.6 64.8 92 131 A E H > S+ 0 0 46 -3,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.855 112.6 55.4 -63.2 -37.2 18.5 41.1 61.1 93 132 A L H X S+ 0 0 10 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.936 108.5 45.4 -63.3 -47.9 22.2 41.3 62.1 94 133 A E H X S+ 0 0 125 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.907 115.0 48.9 -63.1 -39.7 22.1 37.9 63.9 95 134 A E H X S+ 0 0 73 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.922 113.0 47.3 -62.8 -46.6 20.2 36.4 60.9 96 135 A Y H X S+ 0 0 11 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.928 110.9 50.6 -60.8 -48.5 22.7 37.9 58.4 97 136 A N H X S+ 0 0 7 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.897 112.8 47.5 -57.2 -40.8 25.7 36.7 60.4 98 137 A K H X S+ 0 0 105 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.879 109.6 52.3 -69.9 -40.4 24.2 33.2 60.5 99 138 A I H X S+ 0 0 14 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.920 110.5 48.6 -58.5 -46.4 23.4 33.2 56.8 100 139 A L H X S+ 0 0 23 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.925 113.5 46.4 -61.5 -46.6 27.0 34.2 56.0 101 140 A L H X S+ 0 0 17 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.908 113.1 50.0 -60.2 -45.1 28.4 31.4 58.3 102 141 A D H X S+ 0 0 39 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.887 110.9 48.4 -63.4 -44.6 26.0 28.9 56.8 103 142 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.922 113.2 46.8 -60.8 -48.4 26.9 29.7 53.2 104 143 A E H X S+ 0 0 23 -4,-2.3 4,-2.4 372,-0.3 -2,-0.2 0.902 115.4 46.0 -61.6 -42.5 30.6 29.5 53.8 105 144 A T H X S+ 0 0 33 -4,-2.2 4,-1.6 2,-0.2 5,-0.2 0.945 110.9 52.2 -66.8 -48.3 30.3 26.2 55.7 106 145 A T H X S+ 0 0 35 -4,-2.6 4,-1.1 1,-0.2 3,-0.4 0.929 114.7 42.8 -51.1 -51.0 28.0 24.7 53.1 107 146 A Y H < S+ 0 0 11 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.915 113.7 50.8 -62.6 -45.0 30.5 25.6 50.3 108 147 A S H < S+ 0 0 27 -4,-2.4 -1,-0.2 1,-0.2 203,-0.2 0.657 117.0 38.4 -74.1 -16.5 33.6 24.5 52.2 109 148 A V H < S+ 0 0 48 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.501 82.6 125.1-110.8 -7.2 32.3 21.1 53.2 110 149 A A < - 0 0 15 -4,-1.1 12,-0.5 -3,-0.4 2,-0.3 -0.237 37.8-172.6 -57.4 136.4 30.4 20.0 50.0 111 150 A T E -A 121 0A 43 10,-0.1 2,-0.5 38,-0.1 10,-0.2 -0.909 19.4-140.1-127.2 159.5 31.5 16.7 48.5 112 151 A V E -A 120 0A 5 8,-2.5 8,-2.9 -2,-0.3 2,-0.4 -0.978 27.9-167.0-123.9 119.0 30.6 14.9 45.3 113 152 A a E -A 119 0A 49 -2,-0.5 6,-0.2 6,-0.3 5,-0.1 -0.870 24.5-136.6-114.5 136.4 30.1 11.1 45.6 114 153 A H > - 0 0 74 4,-2.0 3,-2.0 -2,-0.4 2,-0.1 -0.679 49.0 -98.4 -62.0 134.1 29.8 8.1 43.4 115 154 A P T 3 S- 0 0 104 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.427 108.1 -0.5 -56.7 131.6 27.0 5.9 44.6 116 155 A Q T 3 S+ 0 0 202 1,-0.2 2,-0.2 -2,-0.1 -2,-0.0 0.726 130.6 81.4 53.6 26.9 28.5 3.1 46.7 117 156 A G S < S- 0 0 45 -3,-2.0 -1,-0.2 1,-0.1 2,-0.1 -0.563 85.6 -39.7-144.3-160.3 31.8 4.7 46.0 118 157 A S - 0 0 76 -2,-0.2 -4,-2.0 -3,-0.1 2,-0.4 -0.360 43.2-135.8 -82.3 152.6 34.3 7.4 46.8 119 158 A a E -A 113 0A 73 -6,-0.2 2,-0.5 -2,-0.1 -6,-0.3 -0.894 17.2-150.9-105.3 135.8 33.5 11.0 47.8 120 159 A L E -A 112 0A 22 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.898 0.9-151.7-111.5 130.0 35.5 13.8 46.3 121 160 A Q E > -A 111 0A 66 -2,-0.5 5,-2.3 -10,-0.2 6,-0.2 -0.563 29.7-115.0 -86.1 158.9 36.2 17.2 47.9 122 161 A L T >S+ 0 0 15 -12,-0.5 5,-2.3 1,-0.2 6,-0.3 0.942 94.7 77.6 -59.4 -49.5 36.8 20.3 45.6 123 162 A E T 5S- 0 0 55 1,-0.2 -1,-0.2 3,-0.2 190,-0.0 -0.951 118.4 -16.9-112.1 117.7 40.4 20.5 46.9 124 163 A P T >5S+ 0 0 57 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 -0.999 133.5 54.2-105.6 -1.4 42.2 18.7 45.8 125 164 A D H >5S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -3,-0.2 0.893 112.3 34.9 -70.3 -53.5 40.1 16.1 44.2 126 165 A L H > - 0 0 138 1,-0.1 4,-2.5 2,-0.0 3,-0.3 -0.935 63.8-146.5-106.9 117.1 37.5 12.5 28.9 136 175 A Y H > S+ 0 0 29 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.855 97.4 45.8 -47.2 -47.1 34.3 14.5 28.1 137 176 A E H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.864 112.0 49.7 -72.2 -35.5 32.0 12.4 30.4 138 177 A D H > S+ 0 0 77 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.875 111.7 49.5 -70.2 -38.5 34.4 12.4 33.4 139 178 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.899 111.1 50.6 -63.5 -41.1 34.8 16.2 33.1 140 179 A L H X S+ 0 0 23 -4,-2.0 4,-2.9 -5,-0.3 5,-0.4 0.886 105.2 55.8 -65.1 -41.5 31.0 16.5 33.0 141 180 A W H X S+ 0 0 80 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.920 113.8 40.2 -55.4 -46.5 30.5 14.3 36.1 142 181 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 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1,-0.2 5,-0.2 0.853 86.6 52.2 -63.8 -47.4 20.9 33.6 48.7 159 198 A P H > S+ 0 0 40 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.915 114.8 44.6 -56.2 -41.3 17.6 35.7 48.4 160 199 A K H > S+ 0 0 75 -4,-0.3 4,-2.6 -3,-0.3 5,-0.2 0.881 111.0 54.4 -67.6 -40.0 17.7 36.4 52.2 161 200 A Y H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.934 109.7 47.6 -52.8 -51.2 21.4 37.3 51.9 162 201 A V H X S+ 0 0 16 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.913 111.3 50.7 -56.5 -48.5 20.6 39.8 49.2 163 202 A E H X S+ 0 0 90 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.929 116.0 41.2 -56.0 -48.1 17.7 41.3 51.2 164 203 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.889 114.4 48.3 -74.6 -41.2 19.9 41.8 54.3 165 204 A I H X S+ 0 0 13 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.889 113.9 49.0 -66.9 -37.8 23.1 43.0 52.6 166 205 A N H X S+ 0 0 19 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.890 109.8 52.0 -62.9 -42.0 21.0 45.5 50.6 167 206 A Q H X S+ 0 0 32 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.934 109.6 48.6 -60.6 -48.5 19.3 46.6 53.8 168 207 A A H X S+ 0 0 6 -4,-2.5 4,-0.6 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252,-0.2 -1,-0.2 0.906 106.8 49.8 -66.7 -43.4 26.6 46.8 44.8 179 218 A D H > S+ 0 0 50 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.943 111.3 49.6 -55.3 -52.4 26.7 50.6 45.2 180 219 A S H < S+ 0 0 20 -4,-2.1 4,-0.4 1,-0.2 3,-0.2 0.930 112.8 46.5 -53.6 -50.0 28.4 50.2 48.5 181 220 A W H >< S+ 0 0 30 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.916 109.7 52.1 -62.4 -46.3 31.0 47.8 47.1 182 221 A R H >< S+ 0 0 49 -4,-2.7 3,-1.8 1,-0.3 5,-0.4 0.808 96.9 69.9 -60.2 -30.4 31.8 49.9 44.0 183 222 A S G >< S+ 0 0 43 -4,-1.6 3,-1.5 1,-0.3 -1,-0.3 0.677 76.5 81.7 -63.5 -18.9 32.4 52.9 46.4 184 223 A M G < S+ 0 0 55 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.705 90.5 53.3 -55.6 -21.5 35.5 51.1 47.6 185 224 A Y G < S- 0 0 2 -3,-1.8 -1,-0.2 -4,-0.2 350,-0.2 0.583 93.5-144.3 -91.8 -13.0 37.2 52.6 44.5 186 225 A E < + 0 0 89 -3,-1.5 -3,-0.1 -4,-0.2 -2,-0.1 0.877 58.7 129.6 48.5 43.0 36.2 56.3 45.1 187 226 A T > - 0 0 27 -5,-0.4 3,-2.2 1,-0.1 4,-0.2 -0.875 45.8-167.9-134.6 97.2 35.9 56.5 41.3 188 227 A P T 3 S+ 0 0 141 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.839 93.1 52.0 -53.2 -35.8 32.6 58.0 39.9 189 228 A S T 3> S+ 0 0 44 1,-0.2 4,-2.8 2,-0.1 3,-0.3 0.289 76.7 118.1 -83.8 9.6 33.6 56.8 36.4 190 229 A L H <> S+ 0 0 6 -3,-2.2 4,-2.7 1,-0.2 5,-0.2 0.841 70.4 48.1 -48.1 -54.2 34.3 53.2 37.6 191 230 A E H > S+ 0 0 90 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.913 117.9 41.3 -60.3 -42.9 31.7 51.3 35.5 192 231 A Q H > S+ 0 0 133 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.892 113.2 53.7 -70.2 -40.9 32.6 53.1 32.2 193 232 A D H X S+ 0 0 34 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.923 111.4 46.2 -56.8 -47.9 36.4 52.9 33.0 194 233 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.885 110.6 52.5 -65.3 -42.4 36.1 49.1 33.5 195 234 A E H X S+ 0 0 63 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.910 108.6 50.7 -58.7 -44.7 34.0 48.7 30.3 196 235 A R H X S+ 0 0 132 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.915 111.1 48.4 -58.4 -46.1 36.6 50.5 28.3 197 236 A L H X S+ 0 0 8 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.895 111.3 50.4 -62.1 -42.0 39.4 48.3 29.7 198 237 A F H >< S+ 0 0 6 -4,-2.4 3,-0.9 1,-0.2 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0.808 116.3 29.0 -52.4 -36.0 36.1 24.2 37.5 240 279 A W T 3 S- 0 0 28 3,-0.1 -1,-0.3 -4,-0.1 -6,-0.1 0.323 101.9-124.2-107.3 4.5 34.9 27.7 36.5 241 280 A A S < S+ 0 0 0 -3,-1.4 3,-0.1 2,-0.2 180,-0.1 0.815 73.3 130.9 47.0 35.4 36.8 28.0 33.1 242 281 A Q S S+ 0 0 26 1,-0.3 2,-0.3 179,-0.1 179,-0.2 0.720 73.1 24.0 -88.4 -23.5 38.3 31.2 34.6 243 282 A T - 0 0 9 174,-0.1 -1,-0.3 175,-0.1 171,-0.3 -0.984 63.7-167.4-140.2 141.8 41.9 30.2 33.8 244 283 A W > + 0 0 0 169,-3.5 3,-1.8 -2,-0.3 170,-0.2 0.248 52.6 112.2-115.7 9.3 42.7 27.8 31.0 245 284 A S G > + 0 0 11 168,-0.3 3,-1.5 1,-0.3 4,-0.2 0.719 66.4 70.4 -66.3 -19.6 46.4 27.0 31.6 246 285 A N G 3 S+ 0 0 39 -10,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.618 94.7 55.4 -73.6 -11.6 45.7 23.3 32.5 247 286 A I G X> + 0 0 1 -3,-1.8 3,-1.5 -11,-0.4 4,-0.9 0.125 69.0 117.3-102.5 19.3 44.9 22.5 28.9 248 287 A Y H X> + 0 0 27 -3,-1.5 3,-1.4 1,-0.3 4,-1.2 0.896 69.8 62.0 -46.6 -45.3 48.2 23.8 27.7 249 288 A D H 34 S+ 0 0 88 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.786 104.0 48.0 -53.2 -32.3 49.0 20.2 26.4 250 289 A L H <4 S+ 0 0 21 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.667 120.9 35.2 -82.4 -16.4 46.0 20.4 24.1 251 290 A V H << S+ 0 0 0 -3,-1.4 -2,-0.2 -4,-0.9 -1,-0.2 0.337 72.1 150.9-125.1 4.9 46.9 23.8 22.6 252 291 A V < - 0 0 28 -4,-1.2 154,-0.1 1,-0.1 -3,-0.0 -0.142 36.4-150.8 -43.0 119.1 50.7 24.0 22.5 253 292 A P S S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.927 91.7 25.4 -58.3 -45.2 51.6 26.3 19.6 254 293 A F > + 0 0 49 148,-0.2 3,-2.2 3,-0.2 152,-0.1 -0.772 65.2 175.9-125.5 83.5 54.9 24.5 19.0 255 294 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.695 79.2 69.3 -62.3 -17.5 54.7 20.8 20.2 256 295 A S T 3 S+ 0 0 95 1,-0.2 -2,-0.0 -3,-0.1 146,-0.0 0.650 90.9 64.5 -73.0 -17.0 58.2 20.2 18.8 257 296 A A S < S- 0 0 7 -3,-2.2 -1,-0.2 145,-0.1 -3,-0.2 -0.759 84.0-164.8-103.8 83.2 59.5 22.5 21.6 258 297 A P - 0 0 100 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.358 3.8-151.0 -75.2 148.4 58.6 20.5 24.6 259 298 A S - 0 0 72 1,-0.1 135,-0.1 -2,-0.1 3,-0.0 -0.864 26.7 -90.9-116.2 154.2 58.6 22.0 28.1 260 299 A M - 0 0 75 -2,-0.3 2,-1.2 1,-0.1 3,-0.1 -0.248 32.7-111.1 -64.8 143.5 59.3 20.3 31.4 261 300 A D > - 0 0 94 1,-0.2 4,-2.3 2,-0.1 -1,-0.1 -0.689 37.1-170.1 -66.6 98.3 56.6 18.7 33.6 262 301 A T H > S+ 0 0 26 -2,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.850 80.6 52.6 -67.4 -37.1 57.0 21.4 36.3 263 302 A T H > S+ 0 0 50 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.926 111.4 45.8 -63.3 -47.4 54.8 19.5 38.9 264 303 A E H > S+ 0 0 93 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.896 112.8 52.3 -63.0 -39.4 56.9 16.4 38.4 265 304 A A H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.936 111.7 45.4 -59.1 -48.2 60.0 18.6 38.7 266 305 A M H <>S+ 0 0 0 -4,-2.8 5,-3.2 2,-0.2 4,-0.3 0.922 117.3 44.2 -62.2 -45.5 58.7 20.1 42.0 267 306 A L H ><5S+ 0 0 102 -4,-3.1 3,-1.1 3,-0.2 -2,-0.2 0.926 113.6 49.9 -64.4 -49.1 57.7 16.7 43.4 268 307 A K H 3<5S+ 0 0 150 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.881 110.9 48.9 -56.5 -41.7 60.9 15.0 42.3 269 308 A Q T 3<5S- 0 0 78 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.478 119.5-112.7 -82.6 -1.6 63.1 17.7 43.9 270 309 A G T < 5 + 0 0 48 -3,-1.1 -3,-0.2 -4,-0.3 2,-0.1 0.799 48.7 176.9 77.2 33.4 61.0 17.4 47.0 271 310 A W < - 0 0 7 -5,-3.2 -1,-0.2 -6,-0.2 63,-0.1 -0.450 6.1-171.4 -65.3 138.4 59.3 20.8 47.1 272 311 A T > - 0 0 69 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.782 40.8 -99.7-120.1 166.8 56.8 21.2 49.9 273 312 A P H > S+ 0 0 12 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.909 124.7 54.3 -48.0 -44.6 54.2 23.9 50.7 274 313 A R H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.901 107.1 49.9 -60.9 -42.6 56.7 25.4 53.2 275 314 A R H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.874 106.7 55.8 -60.0 -41.4 59.4 25.6 50.5 276 315 A M H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.914 111.6 42.8 -60.4 -44.1 57.0 27.3 48.1 277 316 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.831 111.3 55.0 -71.7 -33.9 56.3 30.1 50.6 278 317 A K H X S+ 0 0 87 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.887 107.5 50.1 -64.7 -40.3 60.0 30.4 51.5 279 318 A E H X S+ 0 0 48 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.882 111.1 48.9 -65.2 -39.8 60.8 31.0 47.8 280 319 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.935 110.0 51.6 -60.2 -48.4 58.1 33.7 47.7 281 320 A D H X S+ 0 0 22 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.891 108.3 52.9 -55.0 -42.2 59.6 35.2 50.9 282 321 A D H X S+ 0 0 63 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.873 106.1 52.4 -62.7 -40.9 63.0 35.2 49.2 283 322 A F H X S+ 0 0 2 -4,-1.8 4,-1.1 2,-0.2 232,-0.3 0.948 109.9 48.4 -61.7 -49.1 61.6 37.1 46.1 284 323 A F H ><>S+ 0 0 1 -4,-2.2 5,-2.0 1,-0.2 3,-0.8 0.943 114.3 45.4 -54.6 -49.8 60.1 39.8 48.3 285 324 A T H ><5S+ 0 0 49 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.824 103.6 63.7 -66.4 -30.1 63.4 40.2 50.3 286 325 A S H 3<5S+ 0 0 10 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.824 101.7 52.3 -60.6 -30.5 65.5 40.2 47.1 287 326 A L T <<5S- 0 0 2 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.446 125.8-104.7 -82.1 -2.6 63.6 43.4 46.2 288 327 A G T < 5S+ 0 0 55 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.544 80.2 135.7 85.1 9.8 64.5 45.0 49.5 289 328 A L < - 0 0 9 -5,-2.0 -1,-0.3 -6,-0.2 232,-0.1 -0.272 61.7 -74.2 -84.3 175.4 61.0 44.4 50.8 290 329 A L - 0 0 70 60,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.431 37.0-130.6 -78.3 140.9 60.1 43.0 54.2 291 330 A P - 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 -0.549 34.4-102.1 -76.4 153.2 60.5 39.3 55.3 292 331 A V - 0 0 10 -2,-0.2 5,-0.1 1,-0.1 58,-0.0 -0.536 47.7-101.6 -69.9 143.6 57.5 37.7 57.0 293 332 A P >> - 0 0 30 0, 0.0 3,-1.2 0, 0.0 4,-0.8 -0.191 25.4-109.7 -66.3 158.3 58.0 37.5 60.8 294 333 A P H >> S+ 0 0 96 0, 0.0 4,-1.3 0, 0.0 3,-0.7 0.876 119.4 64.8 -49.6 -39.9 59.0 34.3 62.6 295 334 A E H 3> S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.795 91.4 63.7 -51.4 -37.5 55.4 34.2 64.0 296 335 A F H <> S+ 0 0 0 -3,-1.2 4,-2.1 1,-0.2 32,-0.3 0.910 103.1 46.8 -54.5 -47.9 54.1 33.7 60.5 297 336 A W H << S+ 0 0 32 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.839 114.6 48.1 -67.3 -32.8 55.8 30.4 60.1 298 337 A Q H < S+ 0 0 149 -4,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.906 122.0 29.8 -72.7 -42.9 54.6 29.2 63.5 299 338 A K H < S+ 0 0 83 -4,-2.5 -2,-0.2 27,-0.2 -3,-0.2 0.679 92.9 102.4 -99.6 -21.4 50.9 30.2 63.2 300 339 A S < - 0 0 20 -4,-2.1 2,-0.7 -5,-0.3 29,-0.2 -0.220 63.6-136.8 -64.6 152.4 50.0 29.9 59.5 301 340 A M B +c 329 0C 15 27,-2.2 29,-3.2 1,-0.1 -1,-0.1 -0.882 32.7 165.9-107.9 95.6 48.1 27.0 58.0 302 341 A L + 0 0 21 -2,-0.7 30,-0.5 27,-0.2 2,-0.3 0.417 61.3 29.4 -97.6 0.8 50.1 26.3 54.8 303 342 A E S S- 0 0 123 28,-0.2 28,-0.2 -3,-0.1 27,-0.1 -0.981 96.1 -82.0-152.5 157.3 48.6 22.9 54.0 304 343 A K - 0 0 62 28,-0.3 2,-0.1 -2,-0.3 -2,-0.1 -0.437 54.6-115.7 -59.1 127.3 45.4 20.9 54.5 305 344 A P - 0 0 20 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.384 20.3-161.4 -66.6 148.7 45.4 19.5 58.1 306 345 A T S S+ 0 0 148 1,-0.1 -2,-0.1 2,-0.1 0, 0.0 0.248 70.3 91.5-114.4 9.9 45.4 15.7 58.4 307 346 A D S S- 0 0 106 2,-0.0 -1,-0.1 1,-0.0 0, 0.0 0.188 112.0 -91.7 -92.3 12.4 44.2 15.5 62.0 308 347 A G S S+ 0 0 76 1,-0.3 -2,-0.1 -3,-0.2 2,-0.1 0.333 79.0 145.4 94.4 -6.5 40.5 15.3 61.0 309 348 A R - 0 0 92 -277,-0.1 2,-0.4 1,-0.1 -1,-0.3 -0.362 45.8-136.7 -63.1 139.4 39.8 19.0 61.1 310 349 A E + 0 0 73 -276,-0.2 -276,-3.4 -2,-0.1 2,-0.3 -0.856 35.7 176.8 -92.0 132.4 37.3 20.5 58.6 311 350 A V - 0 0 9 -2,-0.4 2,-0.9 -278,-0.2 -279,-0.2 -0.897 42.8-105.8-134.4 163.1 38.7 23.8 57.2 312 351 A V - 0 0 1 -281,-3.2 -203,-0.1 -2,-0.3 -207,-0.1 -0.855 38.3-172.6 -84.7 107.9 38.1 26.6 54.7 313 352 A b + 0 0 16 -2,-0.9 18,-1.7 -205,-0.2 -1,-0.2 0.783 44.9 111.2 -78.7 -29.6 40.7 25.5 52.1 314 353 A H S S- 0 0 50 16,-0.2 15,-0.1 1,-0.1 -2,-0.1 -0.228 81.0-101.6 -51.1 127.8 40.4 28.6 49.8 315 354 A A + 0 0 18 16,-0.1 2,-0.3 15,-0.1 15,-0.2 -0.251 53.8 161.4 -57.9 132.5 43.7 30.6 50.0 316 355 A S E -D 329 0C 31 13,-1.7 13,-2.8 -3,-0.1 2,-0.4 -0.996 31.7-137.5-154.4 154.4 43.6 33.7 52.2 317 356 A A E -D 328 0C 23 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.908 21.0-152.6-115.6 143.4 45.8 36.2 54.0 318 357 A W E -D 327 0C 27 9,-2.9 9,-1.8 -2,-0.4 2,-0.5 -0.949 12.6-164.2-129.2 126.2 45.1 37.5 57.4 319 358 A D E -D 326 0C 13 -2,-0.4 7,-0.2 7,-0.2 -295,-0.1 -0.955 4.5-166.4-105.3 119.7 46.0 40.8 59.2 320 359 A F - 0 0 1 5,-2.1 -295,-0.1 -2,-0.5 6,-0.1 0.284 37.5-122.3 -92.9 11.9 45.4 40.5 63.0 321 360 A Y S S+ 0 0 60 4,-0.2 -300,-0.2 1,-0.1 -301,-0.1 0.753 88.8 97.0 56.2 34.3 45.7 44.3 63.5 322 361 A N S S- 0 0 63 3,-0.3 -1,-0.1 -301,-0.1 4,-0.1 0.306 91.7-118.8-123.1 4.0 48.6 44.3 66.0 323 362 A G S S+ 0 0 10 2,-0.2 3,-0.1 1,-0.1 33,-0.1 0.567 103.6 60.9 70.0 12.6 51.4 45.0 63.4 324 363 A K S S+ 0 0 137 1,-0.2 2,-0.8 32,-0.0 -28,-0.2 0.598 83.7 71.4-134.0 -39.0 53.0 41.6 64.4 325 364 A D + 0 0 8 -30,-0.1 -5,-2.1 -29,-0.0 2,-0.4 -0.825 51.2 153.9-103.2 105.1 50.7 38.8 63.6 326 365 A F E + D 0 319C 3 -2,-0.8 2,-0.3 -7,-0.2 -7,-0.2 -0.997 15.7 178.6-130.3 136.0 50.1 38.0 59.9 327 366 A R E - D 0 318C 29 -9,-1.8 -9,-2.9 -2,-0.4 2,-0.4 -0.964 22.8-143.3-139.4 151.1 49.1 34.6 58.6 328 367 A I E - D 0 317C 0 -2,-0.3 -27,-2.2 -32,-0.3 2,-0.5 -0.932 9.6-162.1-110.0 141.3 48.2 32.6 55.5 329 368 A K E +cD 301 316C 0 -13,-2.8 -13,-1.7 -2,-0.4 2,-0.3 -0.960 31.0 144.0-120.7 109.5 45.6 29.9 55.3 330 369 A Q - 0 0 4 -29,-3.2 2,-1.7 -2,-0.5 -16,-0.2 -0.976 52.6-140.1-152.5 131.2 45.9 27.7 52.3 331 370 A b - 0 0 7 -18,-1.7 -28,-0.2 -2,-0.3 -29,-0.1 -0.579 45.7-161.5 -84.9 71.3 45.4 24.0 51.4 332 371 A T - 0 0 13 -2,-1.7 2,-0.4 -30,-0.5 -28,-0.3 -0.329 13.1-160.8 -64.9 131.4 48.6 24.2 49.3 333 372 A T - 0 0 58 -30,-0.1 2,-1.4 2,-0.1 5,-0.2 -0.893 30.7-109.3-105.9 145.8 49.2 21.6 46.6 334 373 A V S S+ 0 0 25 -2,-0.4 2,-0.3 -63,-0.1 -67,-0.2 -0.610 77.5 98.4 -79.6 90.0 52.8 21.2 45.2 335 374 A N S > S- 0 0 35 -2,-1.4 4,-1.3 -69,-0.1 5,-0.1 -0.951 83.7 -97.8-159.7 175.3 52.5 22.6 41.7 336 375 A L H > S+ 0 0 29 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.885 117.5 58.5 -70.1 -41.1 53.2 25.7 39.6 337 376 A E H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 111.3 41.7 -52.0 -49.1 49.6 27.0 39.9 338 377 A D H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.714 107.4 61.6 -75.5 -22.7 49.8 27.0 43.7 339 378 A L H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.922 107.0 45.8 -63.1 -45.3 53.3 28.4 43.6 340 379 A V H X S+ 0 0 28 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.935 112.4 51.0 -60.1 -46.6 51.7 31.5 41.8 341 380 A V H X S+ 0 0 42 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.887 106.1 55.3 -58.6 -41.2 48.9 31.5 44.4 342 381 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.898 109.1 47.4 -57.4 -43.0 51.5 31.4 47.3 343 382 A H H X S+ 0 0 5 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.900 109.4 53.8 -63.9 -44.0 53.1 34.5 45.8 344 383 A H H X S+ 0 0 22 -4,-2.3 4,-1.2 1,-0.2 31,-0.5 0.925 112.1 44.5 -53.8 -49.1 49.7 36.2 45.5 345 384 A E H X S+ 0 0 11 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.845 109.6 55.0 -67.3 -36.6 49.0 35.5 49.2 346 385 A M H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.792 101.9 59.9 -68.7 -26.0 52.5 36.7 50.2 347 386 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.882 103.6 49.9 -63.8 -41.3 51.7 39.9 48.3 348 387 A H H X S+ 0 0 16 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.935 111.5 48.7 -59.8 -48.6 48.7 40.5 50.7 349 388 A I H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.918 109.0 52.7 -58.0 -45.6 51.0 39.8 53.7 350 389 A Q H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.924 108.9 49.9 -57.4 -45.9 53.6 42.3 52.3 351 390 A Y H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.921 109.8 51.5 -57.2 -46.4 50.9 44.9 52.0 352 391 A F H < S+ 0 0 17 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.936 113.2 44.8 -54.1 -49.9 49.9 44.2 55.7 353 392 A M H >< S+ 0 0 10 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.863 110.9 54.3 -64.8 -38.6 53.4 44.6 56.9 354 393 A Q H 3< S+ 0 0 17 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.865 117.8 32.7 -65.5 -40.1 54.0 47.8 54.8 355 394 A Y T >< S+ 0 0 6 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.234 81.9 116.3-102.7 15.4 51.1 49.8 56.1 356 395 A K T < S+ 0 0 67 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.610 72.5 55.9 -60.1 -17.0 51.1 48.3 59.7 357 396 A D T 3 S+ 0 0 138 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.417 86.8 96.5-100.2 -1.3 51.9 51.7 61.3 358 397 A L S < S- 0 0 39 -3,-1.9 5,-0.1 1,-0.1 2,-0.1 -0.457 95.5 -82.1 -75.9 157.8 48.9 53.6 59.8 359 398 A P > - 0 0 37 0, 0.0 3,-2.7 0, 0.0 4,-0.4 -0.431 48.1-112.9 -54.3 139.9 45.7 54.1 61.8 360 399 A V G > S+ 0 0 1 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.751 115.0 65.4 -52.9 -31.4 43.7 50.8 61.3 361 400 A A G 3 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.0 -3,-0.0 0.732 106.5 43.1 -61.9 -23.0 41.0 52.6 59.3 362 401 A L G < S+ 0 0 3 -3,-2.7 169,-2.9 1,-0.1 2,-2.2 0.380 81.1 109.2-106.5 1.5 43.6 53.2 56.6 363 402 A R < + 0 0 15 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.1 -0.437 59.0 94.5 -80.1 64.4 45.1 49.7 56.7 364 403 A E S S- 0 0 65 -2,-2.2 168,-0.2 -13,-0.0 -3,-0.0 -0.909 83.8 -83.0-140.3 166.4 43.7 48.7 53.3 365 404 A G - 0 0 5 -2,-0.3 170,-0.1 1,-0.1 4,-0.1 -0.227 48.0 -99.8 -65.1 163.1 45.1 48.7 49.7 366 405 A A S S- 0 0 2 1,-0.2 169,-0.4 169,-0.1 -1,-0.1 0.908 111.0 -16.2 -50.4 -45.1 45.0 52.0 47.7 367 406 A N S >> S- 0 0 2 168,-0.1 4,-1.2 167,-0.1 3,-0.8 -0.900 84.9 -96.1-142.4 169.2 41.9 50.2 46.2 368 407 A P H 3> S+ 0 0 22 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.820 122.6 61.6 -58.0 -28.8 41.0 46.5 46.5 369 408 A G H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -184,-0.0 0.870 99.1 55.3 -60.2 -39.3 42.6 45.8 43.1 370 409 A F H <> S+ 0 0 1 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20 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.932 111.3 50.4 -62.6 -48.1 55.6 30.7 26.9 408 447 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.866 109.9 52.0 -60.0 -37.1 53.3 33.5 25.9 409 448 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.915 107.4 51.5 -63.5 -46.3 50.5 31.0 25.2 410 449 A K H X S+ 0 0 70 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.924 113.7 44.5 -56.5 -44.1 50.9 29.5 28.7 411 450 A M H X S+ 0 0 13 -4,-2.2 4,-3.2 1,-0.2 3,-0.5 0.878 111.5 53.0 -67.9 -39.8 50.6 33.0 30.2 412 451 A A H X>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 4,-1.4 0.876 99.6 62.0 -64.3 -39.7 47.6 33.9 28.0 413 452 A L H <5S+ 0 0 0 -4,-2.4 -169,-3.5 3,-0.2 -168,-0.3 0.826 118.3 29.6 -56.3 -32.5 45.7 30.8 29.1 414 453 A D H X5S+ 0 0 35 -4,-0.8 4,-1.2 -3,-0.5 -2,-0.2 0.916 130.5 32.8 -86.6 -59.5 45.8 32.2 32.7 415 454 A K H X5S+ 0 0 6 -4,-3.2 4,-0.5 2,-0.2 -3,-0.2 0.852 123.5 38.7 -77.1 -40.9 45.9 36.0 32.2 416 455 A I H ><5S+ 0 0 0 -4,-1.4 3,-1.1 -5,-0.3 -3,-0.2 0.927 114.5 52.4 -76.8 -45.7 43.8 36.6 29.1 417 456 A A H 3> S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.877 117.9 51.7 -67.6 -32.7 36.0 38.2 30.8 421 460 A F H >X S+ 0 0 0 -4,-0.8 4,-1.3 1,-0.2 3,-0.6 0.945 110.8 47.3 -62.5 -48.0 35.3 35.9 33.8 422 461 A S H 3< S+ 0 0 0 -4,-3.1 63,-0.4 1,-0.3 4,-0.4 0.758 114.7 47.4 -67.4 -25.1 36.6 38.5 36.3 423 462 A Y H 3X S+ 0 0 4 -4,-1.5 4,-0.7 -5,-0.3 -1,-0.3 0.723 110.4 55.3 -76.7 -24.9 34.5 41.2 34.6 424 463 A L H S+ 0 0 1 -4,-0.4 4,-3.0 2,-0.2 5,-0.2 0.678 107.8 66.1 -84.1 -17.5 30.2 41.4 39.7 427 466 A Q H X S+ 0 0 28 -4,-0.7 4,-1.2 2,-0.2 -1,-0.2 0.940 109.5 42.4 -59.4 -43.8 28.2 42.5 36.5 428 467 A W H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 3,-0.4 0.967 117.3 45.5 -63.6 -52.4 25.9 39.6 37.7 429 468 A R H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.869 108.7 54.3 -62.7 -41.6 26.1 40.6 41.4 430 469 A W H X S+ 0 0 7 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.835 111.4 47.1 -59.9 -35.6 25.5 44.3 40.9 431 470 A R H <>S+ 0 0 84 -4,-1.2 6,-2.0 -3,-0.4 5,-1.2 0.763 111.5 50.1 -78.9 -28.8 22.4 43.5 38.9 432 471 A V H ><5S+ 0 0 4 -4,-1.7 3,-1.0 4,-0.2 -2,-0.2 0.932 113.2 47.3 -64.2 -49.1 21.3 41.1 41.6 433 472 A F H 3<5S+ 0 0 3 -4,-3.2 -2,-0.2 1,-0.2 -256,-0.2 0.881 111.0 50.0 -63.6 -39.6 21.9 43.8 44.2 434 473 A D T 3<5S- 0 0 89 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.499 115.5-114.3 -80.4 -0.4 20.0 46.5 42.2 435 474 A G T < 5S+ 0 0 51 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.472 85.8 115.9 85.6 3.5 17.0 44.2 41.7 436 475 A S S > - 0 0 64 -2,-0.6 3,-1.8 1,-0.1 4,-0.6 -0.405 37.2-100.0 -86.5 168.4 15.3 38.4 40.5 439 478 A K T 34 S+ 0 0 141 1,-0.3 4,-0.3 2,-0.2 3,-0.2 0.710 124.1 62.7 -60.7 -21.6 15.7 35.0 42.3 440 479 A E T 34 S+ 0 0 146 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.731 113.5 33.0 -68.5 -25.9 13.6 33.6 39.4 441 480 A N T <> S+ 0 0 67 -3,-1.8 4,-2.3 1,-0.1 5,-0.3 0.262 81.5 112.2-121.0 8.5 16.3 34.6 36.9 442 481 A Y H X S+ 0 0 10 -4,-0.6 4,-1.5 -3,-0.2 -2,-0.1 0.931 88.0 34.9 -42.0 -60.8 19.6 34.2 38.9 443 482 A N H > S+ 0 0 8 23,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.871 115.4 53.0 -73.3 -40.0 20.9 31.2 36.9 444 483 A Q H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 112.1 46.4 -63.3 -40.2 19.6 32.2 33.5 445 484 A E H X S+ 0 0 55 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.803 108.4 56.2 -74.9 -30.8 21.2 35.7 33.7 446 485 A W H X S+ 0 0 5 -4,-1.5 4,-2.5 -5,-0.3 3,-0.3 0.969 111.3 43.8 -58.1 -53.4 24.5 34.1 35.0 447 486 A W H X S+ 0 0 22 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.863 107.6 59.2 -64.6 -35.1 24.5 32.0 31.8 448 487 A S H X S+ 0 0 58 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.903 112.6 40.2 -54.1 -44.4 23.6 35.0 29.6 449 488 A L H X>S+ 0 0 11 -4,-1.6 4,-2.9 -3,-0.3 5,-0.7 0.849 109.9 57.5 -76.5 -36.6 26.7 36.7 30.9 450 489 A R H X>S+ 0 0 1 -4,-2.5 6,-1.3 2,-0.2 4,-1.0 0.902 115.6 39.4 -56.7 -42.7 28.9 33.6 30.7 451 490 A L H X5S+ 0 0 36 -4,-2.6 4,-1.3 4,-0.3 -2,-0.2 0.957 116.5 49.0 -68.6 -55.3 27.9 33.5 27.0 452 491 A K H <5S+ 0 0 133 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.896 126.9 22.3 -55.5 -47.2 28.1 37.3 26.4 453 492 A Y H <5S+ 0 0 14 -4,-2.9 -3,-0.2 -5,-0.1 -1,-0.2 0.899 135.7 26.7 -92.1 -47.0 31.5 37.8 27.9 454 493 A Q H < - 0 0 87 -2,-0.2 3,-2.0 1,-0.1 -20,-0.0 -0.789 34.7 -68.0-128.6 169.4 17.1 23.4 35.3 464 503 A Q T 3 S+ 0 0 185 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.287 119.7 36.0 -55.3 139.9 15.0 25.0 38.2 465 504 A G T 3 S+ 0 0 23 1,-0.4 -1,-0.2 -3,-0.0 2,-0.2 0.138 88.2 122.4 96.8 -21.3 16.8 24.7 41.5 466 505 A D < + 0 0 7 -3,-2.0 -1,-0.4 1,-0.1 -23,-0.3 -0.539 32.4 174.9 -72.9 141.7 20.2 25.2 39.9 467 506 A F > + 0 0 0 -320,-0.3 3,-1.1 -2,-0.2 4,-0.4 -0.623 1.5 174.3-148.6 76.8 22.3 28.1 41.2 468 507 A D G > S+ 0 0 3 1,-0.3 3,-1.7 2,-0.2 4,-0.1 0.822 74.3 66.1 -63.2 -33.3 25.6 27.9 39.5 469 508 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 6,-0.4 0.872 94.7 62.5 -54.0 -33.9 27.0 31.2 40.9 470 509 A G G < S+ 0 0 0 -3,-1.1 -2,-0.2 1,-0.3 -318,-0.0 0.696 89.8 67.0 -64.2 -21.8 26.8 29.4 44.3 471 510 A A G < S+ 0 0 0 -3,-1.7 2,-0.5 -4,-0.4 -1,-0.3 0.341 87.2 83.3 -79.2 5.3 29.4 26.9 43.1 472 511 A K S X S- 0 0 5 -3,-1.7 3,-1.8 1,-0.1 5,-0.3 -0.962 82.6-132.5-114.5 125.6 32.0 29.7 43.0 473 512 A F T 3> S+ 0 0 18 -2,-0.5 4,-2.1 1,-0.3 5,-0.2 0.828 99.5 57.2 -42.0 -53.0 33.7 30.5 46.3 474 513 A H T 34>S+ 0 0 9 1,-0.2 5,-2.4 2,-0.2 4,-0.3 0.673 100.7 59.9 -63.2 -19.2 33.4 34.3 46.2 475 514 A I T X45S+ 0 0 0 -3,-1.8 3,-1.2 -6,-0.4 -1,-0.2 0.988 113.4 30.4 -75.0 -64.8 29.5 34.2 45.9 476 515 A P T 345S+ 0 0 0 0, 0.0 -372,-0.3 0, 0.0 -2,-0.2 0.837 121.6 55.8 -61.9 -27.7 28.5 32.3 49.2 477 516 A S T 3<5S- 0 0 21 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.548 104.4-134.5 -80.9 -7.7 31.6 33.9 50.8 478 517 A S T < 5 + 0 0 25 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.911 49.6 151.3 52.9 49.8 30.4 37.4 49.9 479 518 A V < - 0 0 36 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.965 48.8-118.5-108.6 120.7 33.8 38.5 48.7 480 519 A P - 0 0 15 0, 0.0 4,-0.1 0, 0.0 -5,-0.0 -0.213 23.5-162.7 -57.4 148.5 33.6 41.2 45.9 481 520 A Y >> + 0 0 3 2,-0.1 3,-2.1 1,-0.1 4,-0.7 0.668 68.6 83.8-112.5 -23.0 35.2 40.1 42.6 482 521 A I H 3> S+ 0 0 5 1,-0.3 4,-2.6 2,-0.2 3,-0.5 0.786 80.4 74.2 -59.4 -26.6 35.8 43.2 40.5 483 522 A R H 3> S+ 0 0 40 1,-0.2 4,-2.8 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