==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-OCT-07 3B3T . COMPND 2 MOLECULE: BACTERIAL LEUCYL AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PROTEOLYTICUS; . AUTHOR N.J.ATAIE,Q.Q.HOANG,M.P.D.ZAHNISER,A.MILNE,G.A.PETSKO, . 292 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 14 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 0 1 1 0 0 0 0 2 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 0 1 0 1 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 1 0 0 1 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 1 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 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 M 0 0 107 0, 0.0 285,-0.0 0, 0.0 200,-0.0 0.000 360.0 360.0 360.0 147.2 33.0 23.3 26.9 2 2 A P - 0 0 27 0, 0.0 3,-0.0 0, 0.0 287,-0.0 -0.347 360.0-101.8 -79.0 152.1 32.4 24.1 23.2 3 3 A P - 0 0 98 0, 0.0 2,-0.7 0, 0.0 0, 0.0 -0.268 44.4 -98.2 -61.1 155.2 29.1 24.7 21.5 4 4 A I + 0 0 36 1,-0.2 3,-0.0 2,-0.0 281,-0.0 -0.701 65.0 143.2 -79.2 114.6 27.7 21.9 19.4 5 5 A T + 0 0 81 -2,-0.7 3,-0.3 -3,-0.0 -1,-0.2 0.404 46.7 76.7-133.6 -3.3 28.8 22.7 15.8 6 6 A Q > + 0 0 51 1,-0.2 4,-3.0 2,-0.1 3,-0.3 -0.062 50.1 132.9-104.9 33.6 29.7 19.5 14.0 7 7 A Q H > + 0 0 72 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.852 68.3 54.9 -56.3 -39.9 26.1 18.3 13.4 8 8 A A H > S+ 0 0 79 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.949 115.7 37.8 -61.5 -47.4 26.7 17.4 9.7 9 9 A T H > S+ 0 0 39 -3,-0.3 4,-2.3 2,-0.2 5,-0.3 0.929 117.8 48.7 -70.4 -45.1 29.7 15.1 10.5 10 10 A V H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.939 112.7 47.3 -62.8 -45.3 28.2 13.6 13.7 11 11 A T H < S+ 0 0 81 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.795 114.3 48.9 -68.8 -25.4 24.9 12.8 12.1 12 12 A A H < S+ 0 0 50 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.850 118.7 36.5 -76.0 -38.5 26.6 11.3 9.1 13 13 A W H >< S+ 0 0 35 -4,-2.3 3,-1.6 1,-0.2 4,-0.5 0.802 100.3 71.2 -93.1 -28.6 29.0 9.1 11.1 14 14 A L G >< S+ 0 0 8 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.890 95.5 55.2 -54.5 -44.6 27.0 8.0 14.1 15 15 A P G 3 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.684 96.9 66.9 -64.7 -14.6 24.8 5.7 11.9 16 16 A Q G < S+ 0 0 72 -3,-1.6 2,-0.2 -4,-0.2 -2,-0.2 0.600 71.1 111.9 -77.9 -14.9 28.0 4.0 10.7 17 17 A V < - 0 0 2 -3,-1.6 2,-0.6 -4,-0.5 3,-0.1 -0.492 60.0-153.4 -61.2 129.9 28.6 2.6 14.2 18 18 A D >> - 0 0 66 -2,-0.2 4,-1.8 1,-0.1 3,-0.8 -0.931 18.5-159.7-121.3 107.3 28.1 -1.2 13.7 19 19 A A H 3> S+ 0 0 19 -2,-0.6 4,-2.6 1,-0.3 5,-0.2 0.803 94.3 61.0 -54.0 -33.2 27.0 -3.3 16.7 20 20 A S H 3> S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.853 102.6 49.4 -65.3 -37.3 28.3 -6.4 14.9 21 21 A Q H <> S+ 0 0 82 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.929 111.8 50.5 -62.2 -46.4 31.8 -5.0 14.8 22 22 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.924 112.2 44.7 -59.3 -50.2 31.5 -4.3 18.6 23 23 A T H X S+ 0 0 23 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.822 109.3 58.2 -70.4 -25.7 30.3 -7.8 19.4 24 24 A G H X S+ 0 0 33 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.931 108.6 45.0 -61.6 -45.1 33.0 -9.2 17.2 25 25 A T H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.919 113.4 50.3 -65.8 -42.2 35.6 -7.4 19.3 26 26 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.945 110.6 48.3 -62.7 -46.5 34.0 -8.5 22.5 27 27 A S H X S+ 0 0 53 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.886 112.6 49.9 -64.4 -36.2 33.8 -12.1 21.5 28 28 A S H >< S+ 0 0 47 -4,-2.0 3,-0.9 -5,-0.2 4,-0.4 0.941 112.0 46.7 -62.6 -48.8 37.5 -12.0 20.4 29 29 A L H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.878 107.4 56.1 -65.6 -37.7 38.7 -10.5 23.6 30 30 A E H 3< S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.619 93.6 71.0 -70.3 -14.1 36.7 -12.9 25.9 31 31 A S T << S+ 0 0 91 -3,-0.9 -1,-0.3 -4,-0.5 2,-0.2 0.682 74.0 95.8 -77.5 -17.9 38.4 -15.8 24.1 32 32 A F S < S- 0 0 34 -3,-1.4 80,-0.2 -4,-0.4 3,-0.1 -0.562 90.0-123.3 -62.6 136.4 41.7 -14.9 25.9 33 33 A T S S- 0 0 71 -2,-0.2 79,-2.5 1,-0.2 2,-0.3 0.933 84.0 -30.4 -51.3 -48.2 41.7 -17.2 28.9 34 34 A N - 0 0 0 77,-0.2 -1,-0.2 74,-0.1 11,-0.2 -0.920 49.6-136.3-151.8 172.5 42.0 -14.0 31.0 35 35 A R + 0 0 0 77,-0.4 65,-0.5 -2,-0.3 2,-0.1 -0.196 45.7 157.0-125.1 43.1 43.5 -10.6 30.5 36 36 A F > - 0 0 7 63,-0.2 3,-1.7 71,-0.2 6,-0.3 -0.371 51.5-117.2 -75.7 147.8 45.2 -10.3 33.9 37 37 A Y T 3 S+ 0 0 46 1,-0.3 38,-1.3 63,-0.2 37,-0.4 0.705 109.7 39.7 -62.1 -24.4 48.1 -7.9 34.2 38 38 A T T 3 S+ 0 0 69 35,-0.1 -1,-0.3 36,-0.1 2,-0.2 0.324 97.7 92.3-108.5 7.2 50.7 -10.5 35.1 39 39 A T S <> S- 0 0 7 -3,-1.7 4,-1.7 1,-0.1 5,-0.2 -0.647 79.3-120.3-104.2 159.7 49.7 -13.4 32.8 40 40 A T H > S+ 0 0 77 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.898 116.5 51.9 -60.5 -40.1 50.9 -14.3 29.4 41 41 A S H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.824 105.4 55.4 -70.1 -29.3 47.3 -13.9 28.0 42 42 A G H > S+ 0 0 0 -6,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.876 111.4 44.0 -66.1 -37.9 47.1 -10.5 29.6 43 43 A A H X S+ 0 0 27 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.899 113.3 51.0 -70.7 -40.5 50.2 -9.4 27.7 44 44 A Q H X S+ 0 0 106 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.849 104.7 57.3 -66.9 -32.5 49.0 -11.1 24.5 45 45 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.880 104.9 51.1 -66.2 -39.6 45.7 -9.3 24.8 46 46 A S H X S+ 0 0 0 -4,-1.1 4,-2.6 1,-0.2 -2,-0.2 0.937 110.9 49.0 -58.3 -48.4 47.5 -5.9 24.8 47 47 A D H X S+ 0 0 73 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.884 109.2 53.0 -57.8 -42.0 49.4 -7.0 21.7 48 48 A W H X S+ 0 0 65 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.924 110.4 46.2 -62.1 -43.7 46.1 -8.0 20.1 49 49 A I H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.934 112.1 51.4 -66.4 -42.3 44.5 -4.6 20.7 50 50 A A H X S+ 0 0 8 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.924 111.2 48.1 -58.2 -43.8 47.7 -2.8 19.4 51 51 A S H X S+ 0 0 80 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.910 112.1 49.4 -64.5 -40.1 47.6 -4.9 16.3 52 52 A E H X S+ 0 0 70 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.949 113.8 44.4 -63.7 -48.6 43.9 -4.2 15.8 53 53 A W H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.887 111.0 54.7 -68.3 -36.2 44.3 -0.5 16.2 54 54 A Q H < S+ 0 0 92 -4,-2.7 4,-0.5 -5,-0.3 -1,-0.2 0.935 110.5 46.2 -59.7 -45.4 47.4 -0.4 14.0 55 55 A A H >< S+ 0 0 74 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.893 110.8 52.4 -64.4 -41.2 45.4 -2.1 11.2 56 56 A L H 3< S+ 0 0 47 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.882 120.9 31.5 -63.8 -39.8 42.4 0.2 11.6 57 57 A S T >< S+ 0 0 4 -4,-1.9 3,-1.8 -5,-0.2 -1,-0.2 0.227 82.4 115.7-105.3 10.1 44.4 3.4 11.3 58 58 A A T < S+ 0 0 68 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.1 0.749 88.8 31.9 -54.4 -32.5 47.2 2.2 9.0 59 59 A S T 3 S+ 0 0 104 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.217 91.9 111.8-111.8 16.4 46.3 4.6 6.3 60 60 A L S X S- 0 0 10 -3,-1.8 3,-1.3 1,-0.1 73,-0.1 -0.776 73.1-116.6 -92.0 118.1 44.9 7.4 8.4 61 61 A P T 3 S+ 0 0 74 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.264 92.4 11.5 -54.6 137.2 47.2 10.5 8.2 62 62 A N T 3 S+ 0 0 95 1,-0.2 21,-2.2 20,-0.1 2,-0.3 0.638 97.1 128.5 77.0 23.8 48.9 11.6 11.5 63 63 A A E < +A 82 0A 28 -3,-1.3 2,-0.3 -6,-0.2 -1,-0.2 -0.815 27.4 168.0-111.9 142.2 48.0 8.4 13.4 64 64 A S E -A 81 0A 45 17,-2.0 17,-2.0 -2,-0.3 2,-0.4 -0.962 22.5-140.6-145.2 168.0 50.2 6.1 15.4 65 65 A V E +A 80 0A 28 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.999 22.7 174.0-132.6 126.8 49.9 3.2 17.8 66 66 A K E -A 79 0A 125 13,-2.8 13,-2.6 -2,-0.4 2,-0.4 -0.848 24.2-143.1-126.9 159.1 52.1 2.6 20.9 67 67 A Q E -A 78 0A 68 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.990 20.1-147.9-123.0 125.1 52.3 0.3 23.8 68 68 A V E -A 77 0A 44 9,-2.9 9,-2.0 -2,-0.4 2,-0.2 -0.778 10.2-138.8 -96.8 124.2 53.5 1.8 27.1 69 69 A S E - 0 0 91 -2,-0.5 2,-0.3 7,-0.2 7,-0.1 -0.510 14.9-156.9 -79.2 152.4 55.4 -0.3 29.5 70 70 A H E > -A 73 0A 15 3,-0.5 3,-0.9 5,-0.2 2,-0.2 -0.952 25.8 -97.4-128.7 149.0 54.8 -0.2 33.2 71 71 A S T 3 S+ 0 0 104 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.429 98.5 11.3 -72.3 133.7 57.1 -1.1 36.1 72 72 A G T 3 S+ 0 0 80 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.314 116.2 58.0 93.4 -8.7 56.7 -4.5 37.7 73 73 A Y E < S-A 70 0A 14 -3,-0.9 -3,-0.5 2,-0.1 -35,-0.1 -0.986 70.4-130.3-152.6 161.7 54.5 -6.2 35.3 74 74 A N E + 0 0 127 -37,-0.4 2,-0.3 -2,-0.3 -36,-0.1 0.622 69.8 104.0 -91.6 -20.2 54.4 -7.1 31.6 75 75 A Q E - 0 0 1 -38,-1.3 2,-0.3 -6,-0.1 -5,-0.2 -0.553 58.9-150.7 -67.7 130.0 51.0 -6.0 30.4 76 76 A K E - 0 0 76 -2,-0.3 2,-0.3 -33,-0.2 -7,-0.2 -0.751 11.5-122.9-103.8 144.8 51.3 -2.8 28.4 77 77 A S E -A 68 0A 0 -9,-2.0 -9,-2.9 -2,-0.3 2,-0.4 -0.671 27.5-135.5 -76.6 142.6 48.8 0.0 27.9 78 78 A V E -AB 67 147A 0 69,-2.3 69,-2.9 -2,-0.3 2,-0.4 -0.858 22.6-176.8-102.0 133.5 47.9 0.7 24.3 79 79 A V E -AB 66 146A 8 -13,-2.6 -13,-2.8 -2,-0.4 2,-0.5 -0.981 8.1-172.7-132.6 120.8 47.7 4.3 23.1 80 80 A M E -AB 65 145A 0 65,-2.6 65,-3.0 -2,-0.4 2,-0.3 -0.945 14.1-167.8-103.6 134.3 46.7 5.4 19.6 81 81 A T E -AB 64 144A 15 -17,-2.0 -17,-2.0 -2,-0.5 2,-0.4 -0.922 18.3-164.9-120.7 147.7 47.1 9.1 18.8 82 82 A I E -AB 63 143A 0 61,-2.2 61,-2.3 -2,-0.3 2,-0.3 -0.993 28.8-130.7-121.3 123.8 45.9 11.3 15.9 83 83 A T - 0 0 64 -21,-2.2 59,-0.1 -2,-0.4 2,-0.1 -0.550 23.4-116.4 -78.2 132.8 47.8 14.7 15.8 84 84 A G - 0 0 6 -2,-0.3 56,-0.3 4,-0.2 58,-0.2 -0.400 9.9-144.3 -71.1 144.4 45.7 17.8 15.6 85 85 A S S S+ 0 0 73 54,-2.3 55,-0.2 56,-0.2 56,-0.1 0.617 94.1 14.0 -81.1 -16.6 46.0 20.0 12.5 86 86 A E S S+ 0 0 126 54,-2.1 55,-0.2 53,-0.1 3,-0.1 0.649 138.2 24.4-128.9 -43.2 45.5 23.3 14.4 87 87 A A E > +c 141 0A 14 53,-3.0 3,-2.0 1,-0.1 55,-0.8 -0.596 65.0 162.1-127.8 66.0 45.9 22.9 18.2 88 88 A P E 3 S+ 0 0 51 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 0.693 71.7 61.4 -66.7 -14.5 48.0 19.8 18.4 89 89 A D E 3 S+ 0 0 131 -3,-0.1 82,-0.7 -6,-0.1 2,-0.5 0.371 86.8 85.8 -91.0 3.2 49.0 20.6 22.0 90 90 A E E < S- d 0 171A 34 -3,-2.0 52,-2.1 50,-0.1 2,-0.4 -0.942 72.0-155.1-102.6 124.4 45.3 20.3 23.1 91 91 A W E -cd 142 172A 28 80,-3.0 82,-2.3 -2,-0.5 83,-0.9 -0.892 18.4-165.8-114.1 133.5 44.4 16.7 23.9 92 92 A I E -cd 143 174A 0 50,-2.4 52,-2.9 -2,-0.4 2,-0.4 -0.948 20.0-160.5-107.0 121.8 41.1 14.8 23.8 93 93 A V E +cd 144 175A 0 81,-2.7 83,-2.6 -2,-0.5 2,-0.3 -0.884 17.1 171.6-109.2 139.4 41.4 11.4 25.6 94 94 A I E +cd 145 176A 0 50,-2.3 52,-2.4 -2,-0.4 2,-0.3 -0.986 24.9 125.0-137.6 135.9 39.0 8.5 25.3 95 95 A G E -cd 146 177A 0 81,-2.1 83,-2.6 -2,-0.3 2,-0.3 -0.985 31.2-163.4-168.8 178.7 39.8 5.1 26.9 96 96 A G E -c 147 0A 0 50,-1.9 52,-1.9 -2,-0.3 2,-0.2 -0.946 41.7 -78.0-169.5 167.7 39.0 2.2 29.1 97 97 A H E -c 148 0A 0 -2,-0.3 25,-0.3 50,-0.2 21,-0.2 -0.523 23.7-162.1 -82.2 146.1 40.9 -0.7 30.7 98 98 A L + 0 0 0 50,-2.5 51,-0.2 -2,-0.2 -1,-0.1 0.525 60.8 92.5-101.0 -5.2 42.0 -3.8 28.8 99 99 A D - 0 0 0 49,-0.7 2,-0.3 19,-0.1 -63,-0.2 -0.383 52.8-162.3 -89.4 163.1 42.5 -6.2 31.7 100 100 A S - 0 0 0 -65,-0.5 2,-0.3 -2,-0.1 -63,-0.2 -0.929 8.3-178.1-138.4 164.8 40.2 -8.7 33.3 101 101 A T - 0 0 13 16,-0.3 155,-0.2 -2,-0.3 13,-0.1 -0.986 33.3-163.0-155.3 156.0 40.2 -10.5 36.7 102 102 A I S S- 0 0 57 1,-0.5 2,-0.2 -2,-0.3 3,-0.1 0.116 80.7 -53.6-123.2 19.0 38.3 -13.0 38.8 103 103 A G S > S- 0 0 32 1,-0.1 3,-1.9 154,-0.1 -1,-0.5 -0.719 72.8 -56.7 133.8 176.3 40.2 -11.8 42.0 104 104 A S T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -2,-0.2 49,-0.0 0.782 127.3 53.5 -62.7 -28.3 43.6 -11.2 43.5 105 105 A H T 3 S+ 0 0 165 -3,-0.1 -1,-0.3 2,-0.0 5,-0.1 0.250 73.4 144.5 -94.5 12.3 44.8 -14.8 42.9 106 106 A T < + 0 0 10 -3,-1.9 2,-0.2 3,-0.1 -68,-0.1 -0.266 28.1 174.6 -48.1 130.6 44.0 -14.7 39.2 107 107 A N > - 0 0 77 -68,-0.0 3,-1.3 -71,-0.0 -71,-0.2 -0.629 46.7 -69.7-134.3-172.7 46.7 -16.7 37.5 108 108 A E T 3 S+ 0 0 69 1,-0.3 -67,-0.1 -2,-0.2 -74,-0.1 0.818 130.3 40.0 -51.4 -39.0 47.7 -18.1 34.1 109 109 A Q T 3 S+ 0 0 145 2,-0.1 -1,-0.3 -76,-0.1 2,-0.1 0.510 84.1 120.2 -93.5 -6.8 44.9 -20.6 34.1 110 110 A S < - 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0 0 28 -3,-2.0 2,-0.3 -7,-0.3 -3,-0.1 -0.576 67.9-142.8 -88.6 156.3 17.9 7.5 24.8 217 217 A T - 0 0 74 -2,-0.2 -27,-1.7 -30,-0.2 -28,-1.4 -0.822 16.3-167.7-115.1 154.3 17.4 8.3 28.4 218 218 A Y E +f 190 0B 66 -2,-0.3 -27,-0.2 -29,-0.2 2,-0.2 -0.983 10.3 175.2-142.2 153.9 20.0 9.0 31.0 219 219 A G E -f 191 0B 8 -29,-2.1 -27,-2.7 -2,-0.3 2,-0.3 -0.661 23.7-113.2-136.3-161.1 20.6 9.3 34.7 220 220 A F E +f 192 0B 70 -29,-0.3 2,-0.3 -2,-0.2 -27,-0.2 -0.962 31.2 152.8-144.9 149.3 23.3 9.8 37.2 221 221 A D E -f 193 0B 41 -29,-2.3 -27,-2.7 -2,-0.3 2,-0.3 -0.962 30.7-115.6-164.9 175.6 25.0 7.9 40.1 222 222 A T - 0 0 60 -2,-0.3 26,-0.1 -29,-0.2 -29,-0.1 -0.910 5.1-149.6-118.9 152.9 28.2 7.4 42.1 223 223 A a - 0 0 11 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.827 35.3-135.1 -77.3 -37.9 30.5 4.5 42.4 224 224 A G S S+ 0 0 62 1,-0.2 2,-0.3 0, 0.0 -2,-0.0 0.370 78.0 36.4 95.0 -3.5 31.4 5.5 46.0 225 225 A Y S S- 0 0 111 -30,-0.1 2,-2.1 3,-0.0 -1,-0.2 -0.933 109.5 -69.2-165.1 173.4 35.1 5.0 45.3 226 226 A A + 0 0 34 -2,-0.3 -30,-0.1 1,-0.2 6,-0.0 -0.557 64.4 164.0 -78.5 79.1 37.8 5.4 42.6 227 227 A a + 0 0 2 -2,-2.1 2,-0.3 -73,-0.0 -1,-0.2 0.529 51.8 7.9 -87.7 -10.1 36.2 2.6 40.7 228 228 A S S > S- 0 0 0 -3,-0.1 3,-2.0 65,-0.1 4,-0.3 -0.934 91.6 -74.0-160.0-178.5 37.8 3.0 37.2 229 229 A D T >> S+ 0 0 0 1,-0.3 4,-1.3 -2,-0.3 3,-0.8 0.643 110.5 77.7 -68.0 -17.1 40.4 4.9 35.3 230 230 A H H 3> S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.861 88.4 63.0 -55.0 -32.4 38.6 8.2 35.1 231 231 A A H <> S+ 0 0 0 -3,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.842 96.5 56.7 -64.6 -30.7 39.7 8.6 38.8 232 232 A S H <> S+ 0 0 6 -3,-0.8 4,-1.3 -4,-0.3 -1,-0.2 0.932 111.3 42.1 -63.1 -47.7 43.4 8.6 37.6 233 233 A W H <>S+ 0 0 1 -4,-1.3 5,-2.4 2,-0.2 3,-0.2 0.939 115.6 50.6 -63.4 -45.5 42.7 11.6 35.2 234 234 A H H ><5S+ 0 0 70 -4,-2.9 3,-2.0 -38,-0.3 -2,-0.2 0.934 109.2 49.7 -58.1 -46.4 40.6 13.3 37.9 235 235 A N H 3<5S+ 0 0 96 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.800 106.0 57.3 -66.8 -29.0 43.2 12.9 40.6 236 236 A A T 3<5S- 0 0 5 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.373 125.9-101.5 -82.2 1.9 45.9 14.4 38.2 237 237 A G T < 5S+ 0 0 66 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.560 79.9 127.2 93.9 11.6 43.7 17.5 37.8 238 238 A Y < - 0 0 26 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.3 -0.741 67.2-100.6-103.0 150.9 42.0 16.8 34.5 239 239 A P + 0 0 38 0, 0.0 -64,-2.0 0, 0.0 2,-0.3 -0.513 49.6 178.2 -69.2 127.5 38.3 16.9 33.6 240 240 A A E -e 175 0A 0 -2,-0.3 -42,-2.7 -66,-0.2 2,-0.3 -0.921 12.9-177.7-128.7 158.1 37.0 13.3 33.4 241 241 A A E -e 176 0A 0 -66,-1.8 -64,-2.5 -2,-0.3 -47,-0.1 -0.986 9.9-162.0-153.3 152.6 33.7 11.6 32.8 242 242 A M - 0 0 0 -49,-0.5 -49,-2.2 -2,-0.3 2,-0.5 -0.744 4.6-162.1-141.9 99.1 32.3 8.1 32.8 243 243 A P E -G 192 0B 0 0, 0.0 -64,-0.4 0, 0.0 2,-0.2 -0.663 28.0-162.7 -73.8 122.4 29.0 7.2 31.1 244 244 A F E -G 191 0B 0 -53,-3.0 -53,-2.5 -2,-0.5 -63,-0.1 -0.703 27.6-110.4-116.7 160.3 28.2 3.8 32.6 245 245 A E S S- 0 0 0 -65,-1.1 -59,-0.4 -66,-0.3 -60,-0.3 0.682 85.0 -23.8 -64.4 -25.5 25.9 0.9 31.7 246 246 A S S S- 0 0 0 -55,-0.2 5,-0.1 -61,-0.1 -55,-0.1 -0.940 88.8 -48.1-165.9 179.7 23.3 1.3 34.5 247 247 A K > - 0 0 61 -2,-0.3 3,-1.3 1,-0.1 4,-0.3 -0.346 59.5-113.8 -62.0 152.1 22.6 2.6 38.0 248 248 A F G > S+ 0 0 33 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.858 116.7 53.8 -64.7 -33.9 25.3 1.4 40.3 249 249 A N G 3 S+ 0 0 154 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.677 112.9 47.8 -66.7 -15.6 23.0 -0.8 42.3 250 250 A D G < S+ 0 0 61 -3,-1.3 -1,-0.2 2,-0.0 -2,-0.2 0.289 78.9 131.4-113.8 6.0 22.0 -2.5 39.0 251 251 A Y S < S- 0 0 68 -3,-0.9 -67,-0.1 -4,-0.3 -3,-0.0 -0.108 75.6 -60.3 -71.5 163.9 25.3 -3.2 37.2 252 252 A N > - 0 0 0 -69,-0.2 3,-1.2 1,-0.2 -1,-0.2 -0.102 47.0-152.8 -41.3 112.6 26.2 -6.6 35.6 253 253 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.459 85.8 61.4 -78.3 6.2 26.1 -9.1 38.5 254 254 A R T > + 0 0 98 10,-0.1 3,-1.0 5,-0.1 5,-0.3 0.430 69.8 125.6-110.7 -0.8 28.6 -11.4 36.9 255 255 A I T < S+ 0 0 15 -3,-1.2 3,-0.1 1,-0.2 4,-0.0 -0.207 72.3 26.6 -58.2 153.1 31.7 -9.2 36.6 256 256 A H T 3 S+ 0 0 67 1,-0.3 2,-0.3 -139,-0.2 -1,-0.2 0.731 108.4 94.5 64.6 27.2 34.9 -10.5 38.1 257 257 A T S X S- 0 0 57 -3,-1.0 3,-1.6 -154,-0.0 -143,-0.5 -0.888 92.5-101.0-137.4 171.4 33.7 -14.1 37.6 258 258 A T T 3 S+ 0 0 62 -2,-0.3 -3,-0.1 1,-0.3 -146,-0.1 0.562 116.5 62.9 -68.5 -10.6 34.1 -16.8 35.1 259 259 A Q T 3 + 0 0 101 -5,-0.3 2,-2.1 1,-0.1 -1,-0.3 0.220 60.1 115.9-105.7 14.2 30.6 -15.9 33.7 260 260 A D < + 0 0 2 -3,-1.6 -145,-2.7 -6,-0.3 2,-0.3 -0.581 51.1 147.8 -78.3 78.3 31.3 -12.3 32.6 261 261 A T > - 0 0 28 -2,-2.1 3,-0.8 -147,-0.2 4,-0.5 -0.738 66.0-109.5-113.2 162.6 30.6 -13.4 29.0 262 262 A L G > S+ 0 0 17 -2,-0.3 3,-1.6 1,-0.3 4,-0.4 0.910 118.8 59.6 -59.5 -36.0 29.1 -11.6 26.0 263 263 A A G 3 S+ 0 0 73 1,-0.3 -1,-0.3 2,-0.1 -3,-0.1 0.812 103.9 49.7 -62.3 -32.3 26.0 -13.9 26.4 264 264 A N G < S+ 0 0 47 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.466 116.5 46.2 -85.6 1.9 25.4 -12.6 29.9 265 265 A S S < S- 0 0 16 -3,-1.6 -81,-0.3 -4,-0.5 -2,-0.1 0.763 125.7 -56.9 -99.0-108.3 25.7 -9.0 28.6 266 266 A D > - 0 0 34 -4,-0.4 3,-2.0 -83,-0.1 6,-0.2 -0.721 46.2-168.6-139.0 99.0 23.9 -7.9 25.5 267 267 A P T 3 S+ 0 0 74 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.630 86.9 61.6 -70.9 -7.1 25.0 -10.2 22.7 268 268 A T T 3 S- 0 0 83 -245,-0.0 -245,-0.2 -3,-0.0 -249,-0.0 0.596 100.6-136.9 -80.5 -18.8 23.3 -7.9 20.1 269 269 A G <> + 0 0 0 -3,-2.0 4,-2.3 -87,-0.2 5,-0.1 0.554 63.5 132.4 68.3 10.9 25.6 -5.1 21.2 270 270 A S H > S+ 0 0 64 2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.881 72.5 45.5 -58.4 -40.8 22.7 -2.7 21.2 271 271 A H H >> S+ 0 0 2 1,-0.2 3,-1.1 2,-0.2 4,-1.1 0.973 113.2 47.8 -70.7 -49.7 23.6 -1.3 24.6 272 272 A A H 3> S+ 0 0 0 1,-0.3 4,-2.1 -6,-0.2 -2,-0.2 0.820 103.2 64.7 -59.8 -32.2 27.4 -1.0 23.8 273 273 A K H 3X S+ 0 0 65 -4,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.865 97.0 56.3 -58.5 -36.4 26.5 0.8 20.5 274 274 A K H S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.5 0.922 110.4 49.2 -56.2 -50.3 32.5 13.4 21.8 283 283 A A H X5S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.915 115.0 44.3 -61.4 -43.5 35.6 12.6 19.6 284 284 A I H X5S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.952 119.3 39.8 -66.8 -50.1 34.2 14.5 16.7 285 285 A E H X5S+ 0 0 0 -4,-2.8 4,-1.2 -5,-0.2 3,-0.4 0.954 122.3 39.7 -68.0 -51.5 33.0 17.6 18.6 286 286 A M H <5S+ 0 0 1 -4,-2.7 -1,-0.2 -5,-0.3 -3,-0.2 0.880 115.9 52.1 -69.4 -32.0 35.8 17.9 21.0 287 287 A G H <