==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (C-TERMINAL PEPTIDASE) 15-FEB-90 6CPA . COMPND 2 MOLECULE: CARBOXYPEPTIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.KIM,W.N.LIPSCOMB . 307 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.5 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 . 1 0.3 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 . 1 0.3 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 . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 1 0 2 0 0 0 1 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 1 A A 0 0 97 0, 0.0 3,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -9.6 18.3 27.8 52.2 2 2 A R + 0 0 220 1,-0.6 2,-0.2 19,-0.0 19,-0.0 0.014 360.0 27.6-172.6 40.1 15.4 30.3 52.1 3 3 A S S >> S- 0 0 27 18,-0.0 3,-1.3 2,-0.0 4,-0.6 -0.546 74.6-131.2 168.2 131.3 17.4 33.6 52.1 4 4 A T T 34 S+ 0 0 0 1,-0.2 21,-0.1 20,-0.2 80,-0.0 0.676 108.9 66.1 -78.9 -1.8 20.9 33.9 50.7 5 5 A N T 34 S+ 0 0 123 1,-0.2 -1,-0.2 3,-0.0 79,-0.0 0.669 103.4 45.5 -78.9 -17.1 21.8 35.6 54.0 6 6 A T T <4 S+ 0 0 99 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.2 0.429 87.1 115.0 -98.3 -14.1 21.2 32.3 55.8 7 7 A F S < S- 0 0 19 -4,-0.6 2,-0.9 1,-0.1 3,-0.1 -0.400 71.2-125.3 -60.8 142.9 23.1 30.3 53.3 8 8 A N > + 0 0 87 1,-0.2 3,-0.7 2,-0.0 -1,-0.1 -0.819 31.3 175.5 -94.9 105.1 26.2 28.7 54.7 9 9 A Y T 3 S+ 0 0 36 -2,-0.9 -1,-0.2 1,-0.2 72,-0.1 0.640 71.0 70.3 -82.9 -11.8 29.1 29.9 52.5 10 10 A A T 3 S+ 0 0 41 -3,-0.1 2,-0.3 276,-0.1 -1,-0.2 0.123 93.3 63.2 -97.0 24.3 31.7 28.2 54.7 11 11 A T S < S- 0 0 51 -3,-0.7 2,-0.4 66,-0.1 -3,-0.0 -0.950 85.9-103.5-139.4 161.4 30.7 24.7 53.8 12 12 A Y - 0 0 48 -2,-0.3 2,-0.2 1,-0.0 -2,-0.1 -0.723 40.8-160.1 -85.0 130.5 30.7 22.5 50.6 13 13 A H - 0 0 29 -2,-0.4 2,-0.1 1,-0.1 64,-0.1 -0.564 14.4-113.7-110.3 172.2 27.3 22.0 49.0 14 14 A T > - 0 0 48 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.435 40.4 -98.6 -90.3 169.9 25.6 19.5 46.5 15 15 A L H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.943 122.3 52.8 -56.7 -48.6 24.4 20.4 43.0 16 16 A D H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.881 108.5 49.7 -52.7 -43.1 20.8 20.9 44.2 17 17 A E H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 111.7 48.7 -63.7 -43.1 21.8 23.3 47.0 18 18 A I H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.919 111.6 47.5 -64.1 -41.5 23.8 25.4 44.5 19 19 A Y H X S+ 0 0 27 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.910 112.0 52.1 -71.5 -33.9 21.0 25.6 41.9 20 20 A D H X S+ 0 0 96 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.930 105.8 53.5 -62.4 -40.9 18.6 26.5 44.7 21 21 A F H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.927 105.1 55.3 -57.4 -40.9 20.9 29.3 45.9 22 22 A M H X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.931 108.5 48.2 -55.6 -47.5 20.8 30.6 42.3 23 23 A D H X S+ 0 0 77 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.901 112.2 48.9 -60.0 -42.2 17.0 30.8 42.4 24 24 A L H X S+ 0 0 37 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.929 110.4 50.2 -63.1 -43.4 17.1 32.5 45.8 25 25 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.921 111.5 47.8 -62.1 -43.9 19.7 35.1 44.7 26 26 A V H < S+ 0 0 34 -4,-2.0 7,-0.2 -5,-0.2 -2,-0.2 0.958 110.9 50.9 -61.5 -48.9 17.7 36.0 41.5 27 27 A A H < S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.867 113.3 47.1 -57.8 -32.4 14.4 36.3 43.5 28 28 A Q H < S+ 0 0 64 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.814 127.8 23.4 -79.5 -28.9 16.3 38.7 45.9 29 29 A H >X + 0 0 60 -4,-2.0 4,-2.7 -5,-0.1 3,-1.4 -0.404 67.3 156.2-133.2 62.0 17.9 40.8 43.2 30 30 A P T 34 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.686 75.7 55.8 -67.4 -17.1 15.8 40.5 40.0 31 31 A E T 34 S+ 0 0 183 -3,-0.1 3,-0.1 1,-0.1 22,-0.1 0.707 117.9 32.8 -87.5 -17.3 17.0 43.9 38.6 32 32 A L T <4 S+ 0 0 23 -3,-1.4 21,-2.7 1,-0.2 2,-0.4 0.762 119.6 36.1-106.5 -37.2 20.7 42.9 38.9 33 33 A V E < +A 52 0A 3 -4,-2.7 2,-0.3 19,-0.2 19,-0.2 -0.906 52.5 176.5-129.0 145.5 20.8 39.1 38.2 34 34 A S E -A 51 0A 47 17,-2.1 17,-2.1 -2,-0.4 2,-0.6 -0.950 27.3-123.7-134.0 161.3 19.0 36.7 36.0 35 35 A K E -A 50 0A 58 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.914 25.6-169.1-112.2 124.3 19.5 32.9 35.4 36 36 A L E -A 49 0A 55 13,-3.1 13,-2.9 -2,-0.6 2,-0.6 -0.862 16.5-144.2-109.8 141.0 20.1 31.7 31.9 37 37 A Q E +A 48 0A 111 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.885 20.5 174.2-101.2 120.8 20.1 28.1 30.7 38 38 A I E - 0 0 28 9,-1.8 2,-0.3 -2,-0.6 -1,-0.1 0.387 60.3 -45.3-108.7 1.6 22.7 27.7 28.0 39 39 A G E -A 47 0A 21 8,-0.8 8,-2.3 140,-0.0 2,-0.4 -0.994 57.2 -85.8 167.4-169.2 22.4 24.0 27.6 40 40 A R E -A 46 0A 157 -2,-0.3 138,-0.1 6,-0.2 5,-0.0 -0.998 38.0-117.5-132.8 141.6 22.1 20.5 29.1 41 41 A S > - 0 0 6 4,-3.1 3,-0.8 -2,-0.4 6,-0.1 0.020 41.6 -89.3 -63.7 176.1 24.8 18.3 30.3 42 42 A Y T 3 S+ 0 0 112 1,-0.2 -1,-0.1 2,-0.1 90,-0.0 0.940 128.6 43.7 -57.8 -45.7 25.5 14.8 28.8 43 43 A E T 3 S- 0 0 100 1,-0.0 -1,-0.2 2,-0.0 -2,-0.0 0.505 127.9 -92.5 -82.8 -2.6 23.2 13.1 31.3 44 44 A G S < S+ 0 0 28 -3,-0.8 -2,-0.1 1,-0.3 -1,-0.0 0.583 74.3 141.2 115.4 4.1 20.4 15.7 31.0 45 45 A R - 0 0 72 1,-0.1 -4,-3.1 -5,-0.0 -1,-0.3 -0.570 56.3-108.4 -77.0 140.3 21.1 18.3 33.8 46 46 A P E -A 40 0A 34 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.341 25.0-140.3 -59.2 143.3 20.4 22.0 33.0 47 47 A I E -A 39 0A 0 -8,-2.3 -9,-1.8 -6,-0.1 -8,-0.8 -0.976 24.8-160.0-108.8 119.8 23.6 24.1 32.6 48 48 A Y E -A 37 0A 41 -2,-0.5 2,-0.4 62,-0.3 62,-0.4 -0.875 15.7-173.0-112.7 139.4 23.0 27.5 34.3 49 49 A V E -A 36 0A 0 -13,-2.9 -13,-3.1 -2,-0.4 2,-0.5 -0.973 17.4-140.6-122.3 136.9 24.8 30.7 33.9 50 50 A L E -AB 35 107A 1 57,-3.5 57,-2.8 -2,-0.4 2,-0.5 -0.845 12.4-157.8 -98.6 133.7 24.1 33.8 36.0 51 51 A K E -AB 34 106A 52 -17,-2.1 -17,-2.1 -2,-0.5 2,-0.5 -0.912 1.9-162.9-105.8 127.7 24.1 37.1 34.2 52 52 A F E +AB 33 105A 0 53,-3.1 53,-2.1 -2,-0.5 2,-0.4 -0.963 25.3 163.3-110.4 124.4 24.7 40.2 36.3 53 53 A S - 0 0 15 -21,-2.7 51,-0.1 -2,-0.5 3,-0.1 -0.994 42.4-165.0-151.9 136.9 23.7 43.3 34.5 54 54 A T - 0 0 52 46,-0.6 2,-0.3 -2,-0.4 -1,-0.1 0.369 67.1 -88.2 -94.9 -0.4 22.8 47.0 35.1 55 55 A G + 0 0 35 -23,-0.1 4,-0.3 1,-0.1 -1,-0.2 -0.963 69.7 117.7 134.2-151.3 21.1 47.4 31.6 56 56 A G - 0 0 62 -2,-0.3 -1,-0.1 2,-0.1 46,-0.0 0.006 61.8 -84.9 80.5 177.7 22.3 48.4 28.1 57 57 A S S S- 0 0 114 1,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.893 101.3 -13.9 -90.2 -86.8 22.4 46.7 24.6 58 58 A N S S- 0 0 112 129,-0.0 -1,-0.1 3,-0.0 3,-0.1 -0.594 81.5-168.7-121.6 69.2 25.3 44.5 24.0 59 59 A R - 0 0 48 -2,-0.3 44,-0.1 -4,-0.3 129,-0.1 -0.256 33.7 -97.2 -54.6 140.1 27.5 45.6 26.8 60 60 A P - 0 0 45 0, 0.0 44,-1.9 0, 0.0 2,-0.3 -0.326 55.5-149.2 -48.8 139.1 31.1 44.4 26.8 61 61 A A E -cd 104 189A 0 127,-2.0 129,-3.3 42,-0.2 130,-1.3 -0.825 22.1-143.5-128.9 162.5 31.2 41.3 29.0 62 62 A I E -cd 105 191A 0 42,-1.7 44,-3.0 -2,-0.3 2,-0.4 -0.992 17.8-154.7-119.0 125.5 33.4 39.2 31.4 63 63 A W E +cd 106 192A 0 128,-2.1 130,-2.7 -2,-0.5 2,-0.4 -0.843 14.9 177.5 -98.0 133.2 33.0 35.4 31.3 64 64 A I E -cd 107 193A 0 42,-2.3 44,-2.7 -2,-0.4 2,-0.3 -0.973 2.2-179.3-134.6 123.1 33.9 33.5 34.5 65 65 A D E -cd 108 194A 0 128,-2.4 130,-2.8 -2,-0.4 2,-0.3 -0.941 2.4-175.8-123.6 152.0 33.5 29.8 34.8 66 66 A L E + d 0 195A 0 42,-2.2 45,-2.0 -2,-0.3 46,-0.2 -0.922 59.9 30.7-136.2 152.2 34.3 27.4 37.7 67 67 A G + 0 0 0 128,-0.7 45,-0.8 -2,-0.3 49,-0.1 0.774 57.4 140.2 76.2 24.3 34.1 23.7 38.2 68 68 A I S S+ 0 0 2 127,-0.5 2,-0.6 1,-0.2 75,-0.3 0.864 79.5 50.3 -72.6 -24.5 35.0 22.5 34.7 69 69 A H S > S- 0 0 1 1,-0.1 3,-1.6 3,-0.1 -1,-0.2 -0.942 89.5-150.9-105.8 111.2 37.0 19.9 36.5 70 70 A S T 3 S+ 0 0 0 57,-1.0 57,-0.2 -2,-0.6 6,-0.1 0.803 85.6 58.8 -69.3 -28.8 34.6 18.4 39.1 71 71 A R T 3 S+ 0 0 24 55,-1.1 2,-2.1 1,-0.2 -1,-0.3 0.618 80.9 92.1 -71.2 -9.4 36.9 17.3 42.0 72 72 A E X> + 0 0 4 -3,-1.6 3,-2.3 1,-0.2 4,-0.6 -0.382 53.1 167.6 -83.1 63.7 38.2 20.9 42.3 73 73 A W H 3> + 0 0 35 -2,-2.1 4,-2.0 206,-0.4 5,-0.2 0.711 62.6 68.8 -58.9 -27.3 35.6 21.8 45.0 74 74 A I H 3> S+ 0 0 2 205,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.786 97.3 58.9 -56.4 -25.9 37.1 25.1 46.2 75 75 A T H <> S+ 0 0 0 -3,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.950 105.9 41.6 -79.8 -41.6 36.1 26.5 42.8 76 76 A Q H X S+ 0 0 2 -4,-0.6 4,-1.8 1,-0.2 5,-0.2 0.929 117.7 50.6 -69.1 -35.2 32.3 25.9 42.8 77 77 A A H X S+ 0 0 16 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.909 109.6 49.6 -62.8 -41.1 32.3 27.1 46.5 78 78 A T H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.893 108.4 54.9 -63.8 -36.7 34.3 30.2 45.5 79 79 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.900 104.8 51.2 -68.1 -39.3 31.7 30.9 42.7 80 80 A V H X S+ 0 0 5 -4,-1.8 4,-1.8 2,-0.2 5,-0.2 0.922 112.6 47.8 -56.6 -42.4 28.7 30.8 45.1 81 81 A W H X S+ 0 0 31 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.939 109.9 52.7 -69.6 -40.9 30.6 33.3 47.2 82 82 A F H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.916 107.4 51.6 -51.6 -47.7 31.3 35.5 44.2 83 83 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.908 113.7 43.4 -61.6 -42.9 27.7 35.6 43.1 84 84 A K H X S+ 0 0 13 -4,-1.8 4,-1.5 1,-0.2 3,-0.4 0.934 111.7 55.6 -66.4 -47.9 26.6 36.7 46.5 85 85 A K H X S+ 0 0 24 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.851 101.7 56.4 -57.0 -33.3 29.5 39.1 46.7 86 86 A F H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.923 108.0 47.0 -71.3 -35.9 28.5 40.9 43.5 87 87 A T H < S+ 0 0 17 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.762 114.8 49.2 -76.0 -18.3 25.0 41.7 44.8 88 88 A E H < S+ 0 0 101 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.892 116.2 38.6 -80.0 -41.1 26.6 43.0 48.1 89 89 A N H >X S+ 0 0 30 -4,-2.5 4,-2.7 -5,-0.2 3,-2.1 0.600 85.4 103.8 -86.4 -15.2 29.3 45.2 46.6 90 90 A Y B 3< S+h 93 0B 71 -4,-1.2 5,-0.0 1,-0.3 -4,-0.0 -0.573 96.9 14.3 -72.9 121.3 27.4 46.7 43.7 91 91 A G T 34 S+ 0 0 47 2,-0.5 -1,-0.3 -2,-0.5 -2,-0.1 0.411 127.3 60.2 94.1 -5.0 26.5 50.2 44.9 92 92 A Q T <4 S+ 0 0 152 -3,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.666 92.9 59.4-121.7 -49.2 29.0 50.1 47.8 93 93 A N B X -h 90 0B 46 -4,-2.7 4,-2.1 1,-0.2 -2,-0.5 -0.732 69.8-151.1 -83.9 129.1 32.4 49.6 46.1 94 94 A P H > S+ 0 0 102 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.945 95.2 47.1 -58.2 -50.8 33.2 52.4 43.7 95 95 A S H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.966 114.7 42.3 -57.4 -62.7 35.4 50.1 41.6 96 96 A F H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.947 113.6 54.0 -54.9 -47.3 33.0 47.2 41.3 97 97 A T H X S+ 0 0 24 -4,-2.1 4,-1.1 -8,-0.4 -1,-0.2 0.852 107.7 51.7 -53.6 -38.1 30.0 49.5 40.7 98 98 A A H X S+ 0 0 52 -4,-1.8 4,-0.6 -3,-0.3 -1,-0.2 0.817 107.9 50.9 -71.5 -31.2 31.9 51.2 37.8 99 99 A I H >X S+ 0 0 2 -4,-1.8 4,-2.2 -3,-0.4 3,-1.6 0.989 113.5 43.9 -66.6 -55.0 32.6 47.9 36.2 100 100 A L H 3< S+ 0 0 0 -4,-2.3 -46,-0.6 1,-0.3 -2,-0.2 0.652 104.0 64.3 -66.8 -16.8 28.9 46.8 36.3 101 101 A D H 3< S+ 0 0 74 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.741 120.6 22.0 -74.1 -19.7 27.7 50.1 35.2 102 102 A S H << S+ 0 0 64 -3,-1.6 2,-0.3 -4,-0.6 -2,-0.2 0.526 126.0 42.4-119.2 -14.1 29.4 49.6 31.8 103 103 A M < - 0 0 6 -4,-2.2 -49,-0.3 -44,-0.1 2,-0.3 -0.929 66.0-132.5-134.8 158.6 29.8 45.8 31.5 104 104 A D E - c 0 61A 7 -44,-1.9 -42,-1.7 -2,-0.3 2,-0.5 -0.768 17.4-144.8-103.4 156.6 27.9 42.6 32.2 105 105 A I E -Bc 52 62A 0 -53,-2.1 -53,-3.1 -2,-0.3 2,-0.5 -0.987 5.7-160.8-124.8 126.4 29.3 39.6 34.1 106 106 A F E -Bc 51 63A 4 -44,-3.0 -42,-2.3 -2,-0.5 2,-0.5 -0.956 11.3-170.4-106.3 129.5 28.5 36.0 33.2 107 107 A L E -Bc 50 64A 1 -57,-2.8 -57,-3.5 -2,-0.5 2,-0.6 -0.974 12.7-173.8-127.0 117.9 29.1 33.5 35.9 108 108 A E E + c 0 65A 0 -44,-2.7 -42,-2.2 -2,-0.5 3,-0.3 -0.903 5.4 179.7-112.3 100.5 29.0 29.8 35.5 109 109 A I S S+ 0 0 0 -2,-0.6 2,-0.5 -61,-0.3 -30,-0.2 0.849 77.0 30.2 -70.6 -40.1 29.4 28.1 38.9 110 110 A V + 0 0 2 -62,-0.4 -62,-0.3 1,-0.1 -1,-0.2 -0.843 64.7 170.7-122.4 92.8 29.2 24.4 38.0 111 111 A T S S+ 0 0 1 -45,-2.0 -43,-0.2 -2,-0.5 -44,-0.1 0.768 81.1 38.3 -76.3 -21.7 30.5 24.0 34.3 112 112 A N > + 0 0 1 -45,-0.8 4,-1.8 -46,-0.2 -1,-0.3 -0.673 69.9 170.1-127.0 77.9 30.5 20.2 34.5 113 113 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.888 75.0 52.2 -63.4 -34.5 27.3 19.3 36.5 114 114 A N H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.886 110.8 48.0 -72.1 -36.5 27.4 15.5 35.8 115 115 A G H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.893 109.1 53.5 -66.7 -39.4 30.9 15.2 37.0 116 116 A F H X S+ 0 0 4 -4,-1.8 4,-1.0 2,-0.2 3,-0.2 0.913 107.4 51.1 -65.7 -43.5 30.2 17.2 40.1 117 117 A A H >X S+ 0 0 22 -4,-2.2 4,-2.7 1,-0.2 3,-0.9 0.944 107.9 53.5 -51.3 -46.4 27.3 14.9 41.0 118 118 A F H 3X>S+ 0 0 30 -4,-1.8 5,-2.7 1,-0.3 4,-2.3 0.821 101.2 58.5 -62.2 -33.1 29.6 11.9 40.6 119 119 A T H 3<5S+ 0 0 6 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.749 113.3 41.0 -72.1 -21.6 32.1 13.4 43.0 120 120 A H H <<5S+ 0 0 72 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.866 122.5 37.1 -85.5 -39.5 29.3 13.4 45.6 121 121 A S H <5S- 0 0 85 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.766 136.2 -12.1 -88.6 -23.8 27.8 10.0 44.8 122 122 A E T <5S+ 0 0 151 -4,-2.3 2,-0.4 -5,-0.2 -3,-0.2 0.632 121.2 30.2-150.8 -40.4 30.8 7.8 44.0 123 123 A N > < - 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0 0 13 -75,-0.1 -74,-1.0 -76,-0.1 -75,-0.3 0.663 52.5-137.7-101.1-153.3 46.8 25.3 48.3 274 274 A T S S- 0 0 89 -76,-0.1 -2,-0.1 -75,-0.1 -3,-0.0 -0.063 79.0 -57.3-108.6 36.6 50.2 24.2 47.0 275 275 A G S S+ 0 0 39 3,-0.1 4,-0.1 0, 0.0 -3,-0.0 0.016 107.8 101.5 127.6 -31.2 49.9 20.4 47.8 276 276 A R S S+ 0 0 202 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.954 112.2 2.8 -57.4 -53.2 49.3 19.9 51.5 277 277 A Y S > S- 0 0 105 1,-0.2 3,-1.7 5,-0.0 2,-0.2 0.761 89.2-179.6-101.3 -29.4 45.5 19.3 51.0 278 278 A G T 3 S- 0 0 4 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 -0.511 73.0 -6.3 68.2-132.5 45.3 19.5 47.2 279 279 A F T 3 S+ 0 0 42 1,-0.3 -206,-0.4 -2,-0.2 2,-0.3 0.640 129.4 71.6 -72.6 -16.6 41.8 18.9 45.9 280 280 A L < + 0 0 94 -3,-1.7 -1,-0.3 -208,-0.1 -2,-0.1 -0.241 69.9 168.6 -97.8 49.6 40.7 18.2 49.4 281 281 A L - 0 0 4 -3,-0.5 5,-0.1 -2,-0.3 -2,-0.0 -0.351 41.0-104.1 -59.6 133.8 40.9 21.7 50.8 282 282 A P > - 0 0 37 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.275 20.8-123.3 -56.0 145.1 39.4 22.2 54.3 283 283 A A G > S+ 0 0 36 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.727 110.5 69.5 -61.0 -26.1 36.0 24.0 54.4 284 284 A S G 3 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.1 -273,-0.1 0.630 96.3 54.2 -67.9 -14.0 37.6 26.5 56.8 285 285 A Q G <> S+ 0 0 40 -3,-2.1 4,-2.0 2,-0.1 5,-0.3 0.486 84.4 88.7 -93.7 -1.3 39.7 27.7 53.8 286 286 A I H <> S+ 0 0 0 -3,-1.1 4,-3.0 -4,-0.3 5,-0.2 0.973 91.8 37.3 -61.3 -58.9 36.7 28.4 51.5 287 287 A I H > S+ 0 0 50 -4,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.912 116.6 51.4 -67.0 -41.5 35.9 32.0 52.4 288 288 A P H > S+ 0 0 33 0, 0.0 4,-1.8 0, 0.0 5,-0.3 0.910 114.9 45.8 -53.9 -43.3 39.7 33.1 52.9 289 289 A T H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.952 113.8 47.7 -64.0 -48.8 40.3 31.7 49.5 290 290 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.923 111.0 51.6 -58.8 -45.3 37.2 33.3 48.0 291 291 A Q H X S+ 0 0 58 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.872 112.8 41.5 -63.2 -44.6 38.0 36.7 49.5 292 292 A E H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.856 113.0 53.4 -74.5 -35.3 41.6 37.1 48.3 293 293 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.888 101.6 61.9 -67.3 -29.2 40.8 35.7 44.8 294 294 A W H X S+ 0 0 11 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.955 102.2 51.7 -50.7 -51.0 38.1 38.3 44.6 295 295 A L H X S+ 0 0 48 -4,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.866 111.0 45.9 -57.9 -40.3 40.9 40.9 44.9 296 296 A G H X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.872 114.5 47.8 -70.3 -38.4 42.9 39.4 42.0 297 297 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.931 108.7 53.8 -70.7 -41.3 39.8 39.0 39.8 298 298 A L H X S+ 0 0 16 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.874 105.5 55.2 -54.2 -41.1 38.7 42.7 40.5 299 299 A T H X S+ 0 0 31 -4,-1.3 4,-1.3 -5,-0.3 -1,-0.2 0.895 108.8 47.5 -64.6 -40.2 42.1 43.9 39.4 300 300 A I H X S+ 0 0 1 -4,-1.4 4,-2.2 1,-0.2 3,-0.4 0.961 112.0 49.0 -66.3 -46.3 41.7 42.1 36.1 301 301 A M H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.885 107.8 55.0 -60.9 -35.8 38.2 43.4 35.5 302 302 A E H X S+ 0 0 65 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.881 108.7 48.2 -64.4 -35.1 39.4 47.0 36.3 303 303 A H H X S+ 0 0 52 -4,-1.3 4,-0.7 -3,-0.4 -1,-0.2 0.849 108.8 53.1 -74.9 -33.6 42.0 46.7 33.6 304 304 A T H < S+ 0 0 5 -4,-2.2 3,-0.2 2,-0.2 -2,-0.2 0.846 109.3 50.1 -68.0 -30.8 39.5 45.3 31.1 305 305 A V H < S+ 0 0 43 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.940 110.5 49.7 -64.0 -50.4 37.2 48.4 31.8 306 306 A N H < 0 0 130 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.531 360.0 360.0 -72.5 -9.2 40.1 50.8 31.3 307 307 A N < 0 0 124 -4,-0.7 -3,-0.1 -3,-0.2 -4,-0.0 0.003 360.0 360.0-128.8 360.0 41.2 49.3 28.0