==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-MAY-07 2PRQ . COMPND 2 MOLECULE: BACTERIAL LEUCYL AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PROTEOLYTICUS; . AUTHOR P.MUNIH,A.MOULIN,C.C.STAMPER,B.BENNET,D.RINGE,G.A.PETSKO, . 291 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 72.2 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 . 17 5.8 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 . 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 . 1 0.3 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 . 25 8.6 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 . 90 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 1 0 1 1 0 0 0 1 1 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 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 80 0, 0.0 200,-0.0 0, 0.0 285,-0.0 0.000 360.0 360.0 360.0-174.8 31.5 21.6 30.3 2 2 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 284,-0.1 -0.068 360.0-102.5 -48.5 147.9 31.6 22.5 26.6 3 3 A P - 0 0 103 0, 0.0 2,-0.7 0, 0.0 201,-0.0 -0.526 38.1-102.0 -77.1 142.5 28.2 23.1 24.8 4 4 A I + 0 0 32 -2,-0.2 3,-0.1 1,-0.2 282,-0.0 -0.501 60.5 148.4 -65.6 108.5 26.9 20.3 22.7 5 5 A T + 0 0 82 -2,-0.7 2,-0.6 1,-0.1 3,-0.3 0.565 46.2 77.3-120.8 -13.4 27.6 21.4 19.1 6 6 A Q > + 0 0 51 1,-0.2 4,-2.5 275,-0.1 5,-0.3 -0.354 48.7 136.1 -98.9 54.2 28.2 18.3 16.9 7 7 A Q H > S+ 0 0 57 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.939 72.1 50.0 -63.8 -50.3 24.6 17.2 16.4 8 8 A A H 4 S+ 0 0 82 -3,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.839 118.8 41.5 -57.8 -34.8 24.9 16.4 12.7 9 9 A T H >> S+ 0 0 39 2,-0.2 4,-2.6 3,-0.1 3,-2.3 0.986 118.3 40.2 -75.1 -69.5 28.1 14.4 13.5 10 10 A V H 3X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.3 -3,-0.2 0.789 116.3 51.9 -50.9 -35.4 27.1 12.5 16.7 11 11 A T H 3< S+ 0 0 74 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.553 114.5 43.9 -81.0 -7.7 23.6 11.9 15.3 12 12 A A H <4 S+ 0 0 52 -3,-2.3 -2,-0.2 -5,-0.2 4,-0.2 0.703 123.7 35.3-101.9 -31.6 25.1 10.5 12.1 13 13 A W H >< S+ 0 0 39 -4,-2.6 3,-2.2 2,-0.2 4,-0.4 0.864 104.9 65.7 -90.1 -44.8 27.7 8.4 13.9 14 14 A L G >< S+ 0 0 10 -4,-2.9 3,-1.9 -5,-0.3 -3,-0.2 0.885 98.2 61.5 -45.3 -39.3 25.9 7.3 17.0 15 15 A P G 3 S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.787 95.7 57.9 -59.5 -31.0 23.7 5.4 14.5 16 16 A Q G < S+ 0 0 59 -3,-2.2 2,-0.5 -4,-0.2 -2,-0.2 0.439 72.2 119.0 -83.4 4.8 26.6 3.3 13.4 17 17 A V < - 0 0 2 -3,-1.9 2,-0.6 -4,-0.4 111,-0.1 -0.608 56.9-155.4 -67.8 119.3 27.2 2.0 16.9 18 18 A D >> - 0 0 69 -2,-0.5 4,-1.7 1,-0.1 3,-0.9 -0.901 19.6-158.6-109.5 116.6 26.7 -1.7 16.2 19 19 A A H 3> S+ 0 0 21 -2,-0.6 4,-2.9 1,-0.2 5,-0.3 0.842 93.2 57.7 -58.2 -38.0 25.6 -4.0 19.0 20 20 A S H 3> S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.796 104.9 52.4 -65.0 -27.6 26.9 -7.1 17.3 21 21 A Q H <> S+ 0 0 85 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.945 110.7 47.9 -68.9 -48.5 30.3 -5.6 17.1 22 22 A I H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.924 116.6 41.2 -56.6 -50.8 30.2 -5.0 20.8 23 23 A T H X S+ 0 0 17 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.809 110.5 59.5 -70.4 -28.4 29.0 -8.5 21.6 24 24 A G H X S+ 0 0 29 -4,-1.7 4,-1.0 -5,-0.3 -1,-0.2 0.908 110.8 41.4 -64.4 -39.2 31.4 -9.8 19.1 25 25 A T H X S+ 0 0 15 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.930 116.1 49.0 -72.3 -46.6 34.2 -8.2 21.2 26 26 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.953 110.7 49.7 -57.2 -52.3 32.6 -9.3 24.5 27 27 A S H < S+ 0 0 50 -4,-3.3 4,-0.3 1,-0.2 -1,-0.2 0.799 113.6 48.5 -58.4 -29.1 32.2 -12.9 23.3 28 28 A S H >< S+ 0 0 42 -4,-1.0 3,-0.8 -5,-0.2 4,-0.3 0.908 109.4 50.1 -77.6 -43.3 35.8 -12.8 22.2 29 29 A L H >< S+ 0 0 0 -4,-2.9 3,-1.2 1,-0.3 -2,-0.2 0.883 110.2 50.9 -63.2 -37.3 37.2 -11.4 25.4 30 30 A E T 3< S+ 0 0 48 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.629 92.9 73.4 -76.7 -11.0 35.4 -14.0 27.4 31 31 A S T < S+ 0 0 94 -3,-0.8 2,-0.5 -4,-0.3 -1,-0.3 0.632 77.4 94.6 -75.0 -10.9 36.8 -16.7 25.3 32 32 A F S < S- 0 0 28 -3,-1.2 3,-0.1 -4,-0.3 80,-0.1 -0.703 90.3-126.1 -78.0 126.9 40.0 -16.0 27.1 33 33 A T S S- 0 0 67 -2,-0.5 79,-1.4 1,-0.1 2,-0.3 0.899 83.8 -33.1 -39.2 -51.3 40.1 -18.4 30.0 34 34 A N - 0 0 0 77,-0.3 11,-0.2 2,-0.1 -1,-0.1 -0.943 48.0-137.6-160.4 169.0 40.6 -15.3 32.2 35 35 A R + 0 0 0 77,-0.4 66,-0.1 -2,-0.3 76,-0.1 -0.088 43.2 156.9-128.0 34.4 42.2 -12.0 31.8 36 36 A F > - 0 0 5 63,-0.2 3,-1.5 71,-0.2 6,-0.2 -0.276 53.2-114.5 -59.6 147.5 43.8 -11.8 35.3 37 37 A Y T 3 S+ 0 0 40 1,-0.3 38,-1.9 63,-0.1 37,-0.3 0.737 111.0 39.3 -60.2 -26.3 46.8 -9.4 35.4 38 38 A T T 3 S+ 0 0 61 35,-0.2 -1,-0.3 36,-0.2 2,-0.3 0.259 95.9 94.7-110.1 14.3 49.4 -12.1 36.1 39 39 A T S <> S- 0 0 2 -3,-1.5 4,-2.0 1,-0.1 5,-0.2 -0.691 77.0-124.1-102.7 158.9 48.1 -15.0 33.9 40 40 A T H > S+ 0 0 93 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.938 116.3 50.8 -65.0 -45.9 49.3 -15.8 30.4 41 41 A S H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 109.6 53.8 -57.7 -37.9 45.7 -15.5 29.1 42 42 A G H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.876 110.0 44.4 -63.1 -40.2 45.6 -12.2 30.9 43 43 A A H X S+ 0 0 15 -4,-2.0 4,-1.9 1,-0.2 33,-0.3 0.864 113.3 51.3 -72.2 -35.8 48.7 -10.9 29.1 44 44 A Q H X S+ 0 0 88 -4,-2.7 4,-3.8 2,-0.2 -2,-0.2 0.843 101.1 62.7 -68.8 -34.0 47.5 -12.2 25.8 45 45 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.942 104.7 47.8 -54.6 -47.8 44.2 -10.4 26.4 46 46 A S H X S+ 0 0 0 -4,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.929 111.9 48.5 -59.2 -48.2 46.1 -7.2 26.3 47 47 A D H X S+ 0 0 62 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.933 109.5 54.5 -59.3 -42.7 47.9 -8.2 23.2 48 48 A W H X S+ 0 0 54 -4,-3.8 4,-2.3 1,-0.2 -2,-0.2 0.931 111.1 43.3 -54.7 -51.1 44.5 -9.2 21.6 49 49 A I H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.878 111.5 54.4 -63.4 -39.7 43.1 -5.8 22.3 50 50 A A H X S+ 0 0 10 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.903 111.0 46.9 -61.6 -39.2 46.2 -4.0 21.1 51 51 A S H X S+ 0 0 76 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.896 112.5 48.9 -69.5 -40.8 45.9 -6.0 17.9 52 52 A E H X S+ 0 0 67 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.933 115.7 42.2 -64.2 -49.1 42.2 -5.2 17.5 53 53 A W H X S+ 0 0 0 -4,-2.9 4,-5.3 2,-0.2 5,-0.3 0.886 111.7 56.1 -65.7 -39.3 42.7 -1.5 18.1 54 54 A Q H X S+ 0 0 94 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.966 109.7 46.2 -55.0 -52.1 45.8 -1.5 15.9 55 55 A A H X S+ 0 0 63 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.906 118.1 43.1 -56.4 -44.2 43.6 -3.0 13.2 56 56 A L H >X S+ 0 0 26 -4,-2.4 3,-1.5 1,-0.2 4,-0.6 0.968 112.6 50.8 -67.4 -52.3 41.0 -0.3 13.9 57 57 A S H 3< S+ 0 0 3 -4,-5.3 6,-0.3 1,-0.3 -1,-0.2 0.742 90.7 82.4 -57.8 -23.8 43.5 2.5 14.3 58 58 A A H 3< S+ 0 0 70 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.895 92.7 47.8 -47.8 -45.8 44.9 1.5 10.9 59 59 A S H << S+ 0 0 69 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.1 0.988 99.4 72.0 -56.1 -79.7 42.1 3.5 9.3 60 60 A L S >< S- 0 0 4 -4,-0.6 3,-0.8 1,-0.1 2,-0.2 -0.012 79.6-137.6 -40.5 125.2 42.4 6.7 11.2 61 61 A P T 3 S+ 0 0 74 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.608 88.5 33.1 -84.7 155.4 45.5 8.7 10.4 62 62 A N T 3 S+ 0 0 100 1,-0.3 21,-1.6 -2,-0.2 2,-0.4 0.507 93.7 118.7 80.1 3.9 47.3 10.1 13.5 63 63 A A E < +A 82 0A 22 -3,-0.8 2,-0.3 -6,-0.3 -1,-0.3 -0.834 37.5 178.2-106.6 142.5 46.3 7.2 15.6 64 64 A S E -A 81 0A 40 17,-1.9 17,-2.5 -2,-0.4 2,-0.5 -0.987 18.3-144.2-141.0 148.3 48.7 4.8 17.3 65 65 A V E +A 80 0A 25 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.959 25.4 169.1-118.6 120.0 48.3 1.8 19.6 66 66 A K E -A 79 0A 115 13,-2.8 13,-3.1 -2,-0.5 2,-0.5 -0.858 28.6-136.7-126.9 162.2 50.7 1.1 22.4 67 67 A Q E -A 78 0A 60 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.984 20.2-143.2-118.6 122.4 50.9 -1.2 25.4 68 68 A V E -A 77 0A 48 9,-3.3 9,-1.8 -2,-0.5 2,-0.3 -0.718 16.7-134.5 -86.8 132.4 52.1 0.4 28.6 69 69 A S - 0 0 87 -2,-0.4 2,-0.3 7,-0.2 7,-0.1 -0.622 17.8-157.4 -86.0 147.5 54.3 -1.9 30.6 70 70 A H > - 0 0 16 3,-0.5 3,-0.6 -2,-0.3 2,-0.5 -0.909 19.9-114.7-123.4 152.1 53.7 -2.2 34.4 71 71 A S T 3 S+ 0 0 109 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.734 96.9 26.6 -86.4 130.4 56.0 -3.3 37.1 72 72 A G T 3 S+ 0 0 72 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.129 115.1 45.3 111.1 -21.4 54.9 -6.5 38.8 73 73 A Y < - 0 0 15 -3,-0.6 -3,-0.5 2,-0.1 -35,-0.2 -0.990 68.5-127.8-153.0 157.9 52.9 -8.2 36.1 74 74 A N S S+ 0 0 111 -2,-0.3 -36,-0.2 -37,-0.3 -4,-0.1 0.804 76.6 101.8 -77.5 -32.1 52.9 -9.2 32.4 75 75 A Q - 0 0 0 -38,-1.9 2,-0.3 -6,-0.1 -5,-0.2 -0.339 60.5-156.0 -58.7 128.1 49.5 -7.7 31.5 76 76 A K - 0 0 64 -33,-0.3 2,-0.4 -7,-0.1 -7,-0.2 -0.774 16.0-116.1-108.4 151.6 50.0 -4.4 29.8 77 77 A S E -A 68 0A 0 -9,-1.8 -9,-3.3 -2,-0.3 2,-0.5 -0.705 27.9-137.5 -84.8 136.1 47.5 -1.5 29.4 78 78 A V E -AB 67 147A 0 69,-2.1 69,-2.9 -2,-0.4 2,-0.4 -0.814 23.2-178.3 -96.5 130.9 46.5 -0.8 25.9 79 79 A V E -AB 66 146A 8 -13,-3.1 -13,-2.8 -2,-0.5 2,-0.6 -0.970 10.1-171.1-134.2 118.5 46.3 2.8 24.9 80 80 A M E -AB 65 145A 0 65,-2.6 65,-3.2 -2,-0.4 2,-0.3 -0.945 15.9-168.8-107.2 126.5 45.2 4.0 21.5 81 81 A T E -AB 64 144A 16 -17,-2.5 -17,-1.9 -2,-0.6 2,-0.4 -0.871 17.9-166.3-118.2 150.5 45.8 7.7 21.0 82 82 A I E -AB 63 143A 0 61,-2.0 61,-2.4 -2,-0.3 -19,-0.2 -0.979 27.2-130.4-132.2 116.7 44.7 10.2 18.3 83 83 A T - 0 0 63 -21,-1.6 59,-0.1 -2,-0.4 2,-0.1 -0.472 25.7-111.9 -71.7 135.8 46.5 13.5 18.4 84 84 A G - 0 0 7 -2,-0.2 56,-0.3 3,-0.2 57,-0.2 -0.408 12.2-147.6 -67.9 141.7 44.3 16.6 18.3 85 85 A S S S+ 0 0 72 54,-3.0 55,-0.2 56,-0.2 56,-0.1 0.440 98.7 19.9 -87.4 -1.8 44.5 18.7 15.1 86 86 A E S S+ 0 0 121 54,-2.3 55,-0.2 53,-0.2 54,-0.1 0.570 140.7 19.6-133.2 -38.1 43.9 21.8 17.1 87 87 A A E > +c 141 0A 5 53,-4.6 3,-1.9 3,-0.1 55,-1.1 -0.551 59.5 162.8-139.8 68.8 44.8 21.1 20.8 88 88 A P E 3 S+ 0 0 57 0, 0.0 -4,-0.1 0, 0.0 53,-0.1 0.646 79.4 63.6 -61.9 -14.8 47.0 18.0 20.8 89 89 A D E 3 S+ 0 0 95 -6,-0.1 82,-1.0 -3,-0.1 2,-0.7 0.715 88.5 78.6 -81.2 -25.2 47.9 19.2 24.3 90 90 A E E < S- d 0 171A 18 -3,-1.9 52,-2.5 50,-0.2 2,-0.3 -0.788 72.4-155.6 -93.8 116.3 44.3 18.7 25.5 91 91 A W E -cd 142 172A 22 80,-3.1 82,-3.1 -2,-0.7 83,-0.8 -0.697 15.7-166.4 -99.2 141.8 43.5 15.1 26.2 92 92 A I E -cd 143 174A 0 50,-1.4 52,-3.1 -2,-0.3 2,-0.4 -0.991 19.1-162.7-118.8 124.3 40.2 13.3 26.3 93 93 A V E +cd 144 175A 0 81,-3.3 83,-2.9 -2,-0.5 2,-0.3 -0.902 16.7 168.6-115.1 142.4 40.4 9.9 27.9 94 94 A I E +cd 145 176A 0 50,-2.3 52,-2.9 -2,-0.4 2,-0.3 -0.971 22.0 126.4-147.5 134.1 37.9 7.0 27.7 95 95 A G E -cd 146 177A 0 81,-2.9 83,-3.0 -2,-0.3 2,-0.3 -0.961 33.2-155.9-168.1-173.8 38.6 3.5 28.9 96 96 A G E -c 147 0A 0 50,-2.0 52,-2.3 -2,-0.3 2,-0.4 -0.901 43.0 -82.4-164.2 175.6 37.8 0.5 30.9 97 97 A H E -c 148 0A 0 81,-0.3 25,-0.3 -2,-0.3 52,-0.2 -0.793 22.0-158.1 -99.1 137.4 39.9 -2.4 32.3 98 98 A L + 0 0 0 50,-2.3 2,-0.2 -2,-0.4 51,-0.2 0.559 66.5 90.1 -87.0 -8.2 40.9 -5.4 30.2 99 99 A D - 0 0 0 49,-0.8 2,-0.3 19,-0.0 -63,-0.2 -0.526 54.4-167.2 -91.1 156.3 41.4 -7.7 33.1 100 100 A S - 0 0 0 -2,-0.2 2,-0.3 18,-0.1 -65,-0.1 -0.889 7.8-178.6-132.3 164.1 38.9 -10.1 34.7 101 101 A T - 0 0 11 -2,-0.3 155,-0.2 16,-0.2 13,-0.2 -0.940 32.1-164.7-155.5 174.4 39.0 -12.0 37.9 102 102 A I S S- 0 0 36 1,-0.7 2,-0.3 -2,-0.3 156,-0.1 0.160 82.9 -33.0-146.0 4.6 37.1 -14.4 40.1 103 103 A G S > S- 0 0 23 1,-0.1 3,-1.3 154,-0.1 -1,-0.7 -0.853 71.7 -81.4 154.9 172.8 39.3 -13.9 43.2 104 104 A S T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.3 49,-0.0 0.777 125.6 63.9 -71.9 -24.2 42.9 -13.1 44.2 105 105 A H T 3 S+ 0 0 123 -3,-0.1 -1,-0.3 2,-0.0 5,-0.2 0.363 72.1 137.3 -77.9 0.9 43.6 -16.8 43.7 106 106 A T < + 0 0 8 -3,-1.3 2,-0.2 3,-0.1 -68,-0.1 -0.326 29.3 164.3 -53.1 129.4 42.7 -16.4 40.0 107 107 A N - 0 0 75 -68,-0.0 3,-0.3 -71,-0.0 -71,-0.2 -0.655 56.2 -67.3-134.8-170.0 45.4 -18.4 38.1 108 108 A E S S+ 0 0 68 1,-0.2 -67,-0.1 -2,-0.2 -74,-0.1 0.844 134.9 44.9 -53.2 -36.4 46.0 -19.8 34.7 109 109 A Q S S+ 0 0 148 2,-0.1 -1,-0.2 -76,-0.0 -3,-0.1 0.792 83.9 112.9 -78.7 -32.6 43.1 -22.2 35.3 110 110 A S - 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0 0 57 82,-0.2 2,-2.3 88,-0.1 69,-0.3 -0.871 61.8-153.5-137.5 101.8 23.7 -5.8 32.4 184 184 A K + 0 0 101 -2,-0.4 62,-0.2 1,-0.2 67,-0.1 -0.506 29.3 162.0 -75.7 80.3 20.7 -3.7 32.9 185 185 A G + 0 0 22 -2,-2.3 2,-0.2 60,-0.2 -1,-0.2 0.605 59.1 40.1 -76.0 -12.3 20.3 -4.4 36.6 186 186 A S S S- 0 0 10 59,-0.4 5,-0.0 2,-0.4 62,-0.0 -0.763 89.2-102.9-130.6 177.1 18.0 -1.4 37.1 187 187 A A S S+ 0 0 78 -2,-0.2 30,-0.2 31,-0.0 -1,-0.1 0.927 100.3 77.7 -64.7 -44.7 15.2 0.5 35.6 188 188 A Q S S- 0 0 40 1,-0.1 -2,-0.4 28,-0.1 30,-0.2 -0.215 75.4-142.1 -64.2 156.5 17.5 3.2 34.4 189 189 A D S S+ 0 0 20 28,-2.8 2,-0.4 1,-0.3 29,-0.2 0.863 86.3 22.0 -86.4 -40.4 19.7 2.6 31.4 190 190 A V E -f 218 0B 0 27,-1.4 29,-2.5 84,-0.1 2,-0.5 -0.992 62.8-165.0-132.7 136.1 22.7 4.4 32.7 191 191 A V E -fG 219 244B 0 53,-3.1 53,-3.7 -2,-0.4 2,-0.5 -0.961 16.7-144.4-123.2 113.3 23.7 5.2 36.3 192 192 A F E -fG 220 243B 0 27,-3.0 29,-2.1 -2,-0.5 2,-0.4 -0.638 15.3-131.2 -79.8 120.9 26.4 7.7 36.8 193 193 A I E -fG 221 242B 0 49,-2.5 49,-0.5 -2,-0.5 29,-0.3 -0.582 20.1-168.4 -72.1 125.8 28.7 7.0 39.7 194 194 A T > + 0 0 64 27,-3.9 3,-0.7 -2,-0.4 2,-0.4 0.614 59.2 80.6 -92.7 -15.9 29.0 10.2 41.7 195 195 A D T 3 S+ 0 0 28 26,-0.4 3,-0.1 1,-0.2 30,-0.1 -0.762 101.8 12.6 -95.8 141.9 31.9 9.3 44.0 196 196 A Y T 3 S+ 0 0 82 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.787 115.8 96.1 66.9 26.8 35.5 9.5 42.8 197 197 A T S < S- 0 0 14 -3,-0.7 2,-0.5 37,-0.1 -1,-0.3 -0.879 80.7-103.0-139.0 172.3 34.1 11.4 39.8 198 198 A D > - 0 0 48 42,-3.2 4,-3.5 -2,-0.3 5,-0.2 -0.877 17.9-154.4-102.5 123.2 33.5 15.0 38.6 199 199 A S H > S+ 0 0 82 -2,-0.5 4,-3.1 2,-0.2 5,-0.2 0.810 95.4 52.0 -66.3 -31.7 30.0 16.3 38.8 200 200 A N H > S+ 0 0 101 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.915 116.5 39.8 -69.9 -43.2 30.5 18.9 36.0 201 201 A F H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.930 118.3 48.7 -69.0 -45.8 31.8 16.2 33.7 202 202 A T H X S+ 0 0 3 -4,-3.5 4,-1.4 38,-0.3 -2,-0.2 0.924 115.2 43.9 -60.1 -45.4 29.2 13.7 35.0 203 203 A Q H X S+ 0 0 82 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.880 108.6 58.2 -67.9 -36.4 26.4 16.3 34.5 204 204 A Y H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 3,-0.3 0.937 105.9 50.8 -56.1 -44.6 27.9 17.2 31.2 205 205 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.826 104.0 55.8 -63.2 -34.4 27.4 13.5 30.3 206 206 A T H X S+ 0 0 1 -4,-1.4 4,-3.0 1,-0.2 -1,-0.3 0.860 107.2 52.2 -65.9 -32.5 23.8 13.6 31.4 207 207 A Q H X S+ 0 0 81 -4,-1.8 4,-3.4 -3,-0.3 -2,-0.2 0.904 106.6 50.1 -69.3 -41.0 23.4 16.4 29.0 208 208 A L H X>S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 5,-0.6 0.890 111.1 52.1 -63.0 -35.1 25.0 14.3 26.2 209 209 A M H X5S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.981 110.9 45.9 -60.8 -54.9 22.4 11.7 27.3 210 210 A D H <5S+ 0 0 87 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.905 119.1 42.2 -53.5 -45.6 19.7 14.3 27.0 211 211 A E H <5S+ 0 0 82 -4,-3.4 -1,-0.2 2,-0.1 -2,-0.2 0.819 132.6 16.0 -74.8 -32.5 21.0 15.5 23.6 212 212 A Y H <5S+ 0 0 19 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.742 131.8 33.7-117.2 -27.7 21.8 12.1 22.0 213 213 A L ><< + 0 0 4 -4,-2.5 3,-1.2 -5,-0.6 -2,-0.1 -0.473 66.2 151.4-125.5 58.1 20.1 9.2 23.9 214 214 A P T 3 + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.799 69.7 63.0 -57.9 -32.0 16.9 11.1 24.9 215 215 A S T 3 S+ 0 0 100 -3,-0.1 2,-0.1 -6,-0.1 -5,-0.1 0.834 91.5 83.4 -64.0 -33.6 15.1 7.8 24.9 216 216 A L < - 0 0 26 -3,-1.2 2,-0.4 -7,-0.2 -3,-0.1 -0.391 69.7-146.2 -76.3 149.7 17.3 6.5 27.7 217 217 A T - 0 0 77 -30,-0.2 -28,-2.8 -2,-0.1 -27,-1.4 -0.873 19.6-167.0-111.3 146.8 16.7 7.3 31.3 218 218 A Y E +f 190 0B 65 -2,-0.4 -27,-0.2 -30,-0.2 2,-0.2 -0.925 11.7 178.5-136.7 161.2 19.6 7.7 33.7 219 219 A G E -f 191 0B 9 -29,-2.5 -27,-3.0 -2,-0.3 2,-0.3 -0.701 21.3-116.7-141.2-167.2 20.3 7.9 37.4 220 220 A F E +f 192 0B 70 -29,-0.3 2,-0.3 -2,-0.2 -27,-0.2 -0.945 29.6 156.2-139.2 160.0 23.2 8.3 39.8 221 221 A D E -f 193 0B 39 -29,-2.1 -27,-3.9 -2,-0.3 -26,-0.4 -0.959 28.6-124.1-167.3 177.6 24.8 6.3 42.5 222 222 A T - 0 0 60 -2,-0.3 26,-0.2 -29,-0.3 -29,-0.0 -0.885 6.6-147.7-131.3 161.6 28.0 5.8 44.4 223 223 A a - 0 0 11 -2,-0.3 3,-0.1 2,-0.3 -1,-0.1 0.751 36.9-129.4 -96.3 -34.4 30.2 2.8 44.9 224 224 A G S S+ 0 0 63 1,-0.3 2,-0.3 -3,-0.1 -28,-0.1 0.278 83.5 37.7 99.6 -7.0 31.2 3.9 48.4 225 225 A Y S S- 0 0 116 -30,-0.1 2,-2.0 0, 0.0 -1,-0.3 -0.914 109.2 -68.8-157.8-179.4 34.8 3.3 47.3 226 226 A A + 0 0 29 -2,-0.3 -30,-0.1 1,-0.2 6,-0.0 -0.559 59.9 165.0 -81.0 75.3 37.3 3.6 44.4 227 227 A a + 0 0 15 -2,-2.0 2,-0.3 4,-0.0 -1,-0.2 0.589 54.8 9.9 -72.5 -16.0 35.5 0.8 42.4 228 228 A S S > S- 0 0 1 -3,-0.1 3,-2.4 -74,-0.1 4,-0.3 -0.963 90.6 -76.5-156.9 174.4 37.1 1.4 39.1 229 229 A D T >> S+ 0 0 0 -2,-0.3 4,-1.5 1,-0.3 3,-0.7 0.636 110.5 77.1 -49.6 -24.5 39.8 3.3 37.0 230 230 A H H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.798 89.7 62.9 -58.1 -26.1 37.9 6.6 37.0 231 231 A A H <> S+ 0 0 0 -3,-2.4 4,-4.3 2,-0.2 5,-0.3 0.898 97.3 53.5 -65.0 -43.2 39.2 6.8 40.6 232 232 A S H <> S+ 0 0 6 -3,-0.7 4,-1.4 -4,-0.3 -2,-0.2 0.925 112.6 43.3 -58.6 -47.6 42.8 6.8 39.4 233 233 A W H <>S+ 0 0 1 -4,-1.5 5,-3.4 2,-0.2 -1,-0.2 0.853 115.8 51.0 -66.3 -33.5 42.1 9.7 37.1 234 234 A H H ><5S+ 0 0 69 -4,-2.0 3,-1.8 -5,-0.2 -2,-0.2 0.961 111.7 44.2 -67.1 -52.1 40.2 11.2 39.9 235 235 A N H 3<5S+ 0 0 106 -4,-4.3 -1,-0.2 1,-0.3 -2,-0.2 0.682 107.6 60.1 -67.6 -17.1 43.0 10.8 42.5 236 236 A A T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.490 126.2-104.9 -86.4 -3.7 45.4 12.1 39.9 237 237 A G T < 5S+ 0 0 60 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.2 0.666 78.0 128.0 92.0 18.3 43.3 15.2 39.9 238 238 A Y < - 0 0 26 -5,-3.4 2,-0.7 -6,-0.2 -1,-0.3 -0.723 69.7 -95.1-107.7 157.6 41.5 14.8 36.6 239 239 A P - 0 0 29 0, 0.0 -64,-3.2 0, 0.0 2,-0.3 -0.572 51.5-176.4 -70.6 110.7 37.7 15.0 35.8 240 240 A A E +e 175 0A 0 -2,-0.7 -42,-3.2 -66,-0.2 2,-0.3 -0.791 10.0 180.0-110.6 154.7 36.6 11.4 35.9 241 241 A A E -e 176 0A 0 -66,-1.9 -64,-3.6 -2,-0.3 -47,-0.1 -0.989 10.4-168.8-150.3 145.8 33.2 10.0 35.1 242 242 A M E -G 193 0B 3 -49,-0.5 -49,-2.5 -2,-0.3 2,-1.0 -0.781 9.2-159.6-140.3 96.7 31.7 6.5 35.1 243 243 A P E -G 192 0B 0 0, 0.0 -51,-0.3 0, 0.0 -64,-0.3 -0.660 28.2-153.3 -75.8 108.4 28.4 5.8 33.5 244 244 A F E -G 191 0B 8 -53,-3.7 -53,-3.1 -2,-1.0 -63,-0.1 -0.535 19.5-120.2 -85.9 151.2 27.6 2.5 35.3 245 245 A E S S- 0 0 0 -65,-1.4 -59,-0.4 -66,-0.4 2,-0.3 0.732 85.9 -10.2 -60.1 -28.9 25.3 -0.3 33.9 246 246 A S S S- 0 0 0 -55,-0.2 -55,-0.1 -61,-0.2 5,-0.1 -0.884 93.1 -58.3-155.7-175.5 22.9 -0.2 36.9 247 247 A K >> - 0 0 62 -2,-0.3 3,-2.3 1,-0.1 4,-0.7 -0.462 61.5-109.5 -68.9 151.7 22.2 1.1 40.3 248 248 A F G >4 S+ 0 0 38 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.856 119.0 51.0 -55.9 -37.3 25.1 -0.1 42.5 249 249 A N G 34 S+ 0 0 153 1,-0.2 -1,-0.3 -64,-0.0 -2,-0.0 0.342 113.6 47.1 -82.9 9.9 22.9 -2.5 44.4 250 250 A D G <4 S+ 0 0 73 -3,-2.3 -1,-0.2 2,-0.0 -2,-0.2 0.379 78.8 127.2-128.3 0.4 21.6 -4.0 41.1 251 251 A Y S << S- 0 0 67 -4,-0.7 -67,-0.1 -3,-0.7 4,-0.1 -0.144 79.5 -52.0 -63.9 160.3 24.7 -4.6 39.0 252 252 A N > - 0 0 0 -69,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.024 48.1-153.9 -33.9 106.2 25.5 -7.9 37.4 253 253 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.565 88.8 59.0 -64.4 -9.7 25.3 -10.5 40.2 254 254 A R T > S+ 0 0 102 5,-0.1 3,-1.3 10,-0.1 5,-0.2 0.331 70.6 127.4-103.6 6.0 27.7 -12.8 38.4 255 255 A I T < S+ 0 0 23 -3,-1.6 3,-0.1 1,-0.3 4,-0.1 -0.314 75.2 22.6 -62.7 149.0 30.7 -10.5 38.1 256 256 A H T 3 S+ 0 0 68 1,-0.3 2,-0.3 -155,-0.2 -1,-0.3 0.738 107.2 97.9 66.9 23.7 33.9 -12.0 39.4 257 257 A T S X S- 0 0 57 -3,-1.3 3,-1.7 -156,-0.0 -143,-0.6 -0.865 91.6-104.0-131.3 167.6 32.5 -15.6 38.9 258 258 A T T 3 S+ 0 0 61 -2,-0.3 -3,-0.1 1,-0.3 -2,-0.1 0.622 118.2 65.7 -66.7 -11.0 33.1 -18.1 36.1 259 259 A Q T 3 + 0 0 99 -5,-0.2 2,-2.5 1,-0.1 -1,-0.3 0.283 60.3 112.5 -97.0 9.5 29.5 -17.1 35.1 260 260 A D < + 0 0 0 -3,-1.7 -145,-4.4 -6,-0.2 2,-0.2 -0.496 51.6 142.4 -82.2 73.3 30.2 -13.5 34.1 261 261 A T >> - 0 0 31 -2,-2.5 4,-1.1 -147,-0.2 3,-0.6 -0.667 69.4-107.7-110.2 165.7 29.5 -14.3 30.5 262 262 A L G >4 S+ 0 0 16 1,-0.3 3,-0.6 -2,-0.2 7,-0.1 0.880 119.4 62.3 -59.9 -37.4 27.7 -12.4 27.7 263 263 A A G 34 S+ 0 0 71 1,-0.3 -1,-0.3 3,-0.1 5,-0.1 0.877 106.5 44.9 -56.0 -37.8 24.8 -14.9 28.1 264 264 A N G <4 S+ 0 0 42 -3,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.678 120.1 41.2 -82.9 -17.4 24.4 -13.6 31.7 265 265 A S S << S- 0 0 12 -4,-1.1 -82,-0.2 -3,-0.6 -3,-0.1 0.191 128.1 -45.8 -98.2-134.6 24.7 -10.0 30.8 266 266 A D > - 0 0 30 -84,-1.6 3,-2.2 1,-0.2 6,-0.2 -0.788 47.7-171.8-105.6 96.4 23.0 -8.7 27.6 267 267 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.662 88.9 58.2 -56.6 -15.6 23.7 -11.1 24.7 268 268 A T T 3 S- 0 0 76 -6,-0.1 -245,-0.2 -86,-0.1 -246,-0.1 0.699 100.8-136.3 -87.4 -21.1 22.1 -8.5 22.5 269 269 A G <> + 0 0 0 -3,-2.2 4,-2.9 -87,-0.2 5,-0.2 0.566 65.3 130.2 76.1 6.5 24.6 -5.8 23.5 270 270 A S H > S+ 0 0 62 2,-0.2 4,-1.4 1,-0.2 -88,-0.0 0.953 73.2 43.6 -56.5 -52.3 21.6 -3.4 23.7 271 271 A H H >> S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.945 115.4 48.0 -60.8 -47.8 22.7 -2.3 27.2 272 272 A A H 3> S+ 0 0 0 1,-0.2 4,-2.5 -6,-0.2 -1,-0.2 0.861 103.3 63.2 -61.3 -35.4 26.3 -2.0 26.2 273 273 A K H 3X S+ 0 0 65 -4,-2.9 4,-3.4 1,-0.2 5,-0.3 0.898 97.4 57.7 -56.9 -39.7 25.4 -0.1 23.1 274 274 A K H