==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-OCT-09 3KGQ . COMPND 2 MOLECULE: CARBOXYPEPTIDASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.FERNANDEZ,E.BOIX,I.PALLARES,F.X.AVILES,J.VENDRELL . 303 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 25 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 31.4 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 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 1 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 3 A S > 0 0 64 0, 0.0 4,-0.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 174.2 -10.7 24.9 21.6 2 4 A T T 4 + 0 0 0 1,-0.2 21,-0.0 2,-0.2 80,-0.0 0.629 360.0 63.4 -74.5 -14.4 -8.5 21.8 21.8 3 5 A N T 4 S+ 0 0 122 1,-0.2 -1,-0.2 3,-0.0 79,-0.0 0.833 111.3 34.2 -72.7 -35.5 -10.7 20.8 24.8 4 6 A T T 4 S+ 0 0 116 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.443 90.3 120.0-102.5 -3.5 -13.8 20.5 22.7 5 7 A F S < S- 0 0 32 -4,-0.8 2,-1.0 1,-0.1 3,-0.1 -0.327 72.2-116.2 -55.7 139.3 -12.1 19.3 19.6 6 8 A N > + 0 0 86 1,-0.2 3,-0.7 2,-0.0 -1,-0.1 -0.746 36.5 174.0 -87.3 101.8 -13.4 15.8 18.5 7 9 A Y T 3 S+ 0 0 34 -2,-1.0 -1,-0.2 1,-0.2 72,-0.1 0.524 71.9 69.9 -80.9 -6.5 -10.4 13.4 18.8 8 10 A A T 3 S+ 0 0 42 276,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.093 91.6 65.1-103.5 21.3 -12.7 10.5 18.0 9 11 A T S < S- 0 0 54 -3,-0.7 2,-0.3 66,-0.1 0, 0.0 -0.963 86.6-105.2-136.1 155.7 -13.3 11.3 14.4 10 12 A Y - 0 0 40 -2,-0.3 2,-0.2 1,-0.0 -2,-0.1 -0.647 42.4-149.9 -80.8 138.3 -11.1 11.5 11.3 11 13 A H - 0 0 27 -2,-0.3 2,-0.1 60,-0.2 64,-0.1 -0.613 9.4-117.4-112.9 164.1 -10.3 15.0 10.2 12 14 A T > - 0 0 50 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.428 38.8-102.4 -86.5 169.1 -9.5 16.9 7.0 13 15 A L H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.936 123.2 50.0 -56.1 -50.8 -6.1 18.7 6.4 14 16 A D H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.869 109.6 52.2 -56.4 -40.6 -7.6 22.1 7.2 15 17 A E H > S+ 0 0 83 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 111.8 45.1 -66.9 -38.6 -9.1 20.7 10.4 16 18 A I H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.920 114.4 47.9 -69.9 -44.2 -5.7 19.3 11.6 17 19 A Y H X S+ 0 0 19 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.900 112.0 50.5 -62.3 -40.4 -3.9 22.5 10.6 18 20 A D H X S+ 0 0 96 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.896 107.0 55.2 -62.4 -41.0 -6.5 24.6 12.4 19 21 A F H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.907 104.3 54.0 -56.9 -44.9 -6.1 22.3 15.5 20 22 A M H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.926 107.6 50.0 -54.8 -47.9 -2.3 23.1 15.4 21 23 A D H X S+ 0 0 71 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.885 110.8 49.8 -60.2 -41.4 -3.1 26.8 15.6 22 24 A L H X S+ 0 0 67 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.932 110.5 49.1 -62.3 -47.9 -5.5 26.3 18.5 23 25 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.887 113.3 47.0 -60.2 -42.2 -2.9 24.3 20.5 24 26 A V H < S+ 0 0 38 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.887 112.0 50.3 -66.8 -40.9 -0.2 26.9 19.9 25 27 A A H < S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.864 116.0 42.9 -64.9 -36.3 -2.6 29.8 20.8 26 28 A E H < S+ 0 0 61 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.743 127.2 28.6 -80.8 -26.8 -3.5 27.9 24.1 27 29 A H >X + 0 0 60 -4,-1.7 4,-2.8 -5,-0.2 3,-1.7 -0.381 65.3 152.9-135.2 57.4 -0.0 26.8 25.0 28 30 A P T 34 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.705 73.8 58.3 -65.7 -21.0 2.5 29.3 23.6 29 31 A Q T 34 S+ 0 0 172 1,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.608 120.8 25.5 -82.6 -11.7 5.1 28.6 26.3 30 32 A L T <4 S+ 0 0 22 -3,-1.7 21,-2.6 1,-0.2 2,-0.4 0.698 118.1 48.0-117.9 -36.2 5.3 24.9 25.3 31 33 A V E < +A 50 0A 3 -4,-2.8 2,-0.3 19,-0.2 -1,-0.2 -0.926 51.4 175.0-123.0 134.6 4.2 24.5 21.7 32 34 A S E -A 49 0A 47 17,-1.9 17,-2.7 -2,-0.4 2,-0.6 -0.963 27.9-127.2-132.0 155.0 5.2 26.3 18.5 33 35 A K E -A 48 0A 59 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.899 27.1-169.1-105.2 114.0 4.3 25.7 14.9 34 36 A L E -A 47 0A 52 13,-3.4 13,-3.0 -2,-0.6 2,-0.7 -0.833 16.4-144.7-104.6 138.3 7.3 25.4 12.5 35 37 A Q E +A 46 0A 96 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.907 18.8 177.6-101.7 111.5 7.1 25.3 8.8 36 38 A I E - 0 0 25 9,-2.0 2,-0.3 -2,-0.7 10,-0.1 0.525 59.0 -49.0 -94.2 -6.2 9.8 23.0 7.5 37 39 A G E -A 45 0A 19 8,-0.8 8,-2.6 5,-0.0 2,-0.4 -0.983 60.1 -76.3 166.7-169.4 9.0 23.3 3.8 38 40 A R E -A 44 0A 119 -2,-0.3 138,-0.1 6,-0.2 5,-0.0 -0.964 39.9-121.5-121.4 137.0 6.4 23.2 1.1 39 41 A S > - 0 0 5 4,-3.3 3,-1.9 -2,-0.4 6,-0.1 -0.179 39.5 -94.2 -65.5 168.7 4.8 20.0 -0.3 40 42 A Y T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.914 130.3 45.8 -50.6 -46.5 5.0 19.3 -4.1 41 43 A E T 3 S- 0 0 96 1,-0.1 -1,-0.3 88,-0.0 -2,-0.0 0.349 127.3 -99.9 -84.7 5.8 1.7 21.0 -4.6 42 44 A G S < S+ 0 0 36 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.577 71.9 144.6 94.4 11.3 2.7 23.9 -2.5 43 45 A R - 0 0 75 1,-0.1 -4,-3.3 -5,-0.0 -1,-0.3 -0.562 56.9-103.3 -78.1 143.5 1.0 23.1 0.8 44 46 A P E -A 38 0A 22 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.461 26.3-140.8 -69.0 141.0 2.8 24.2 4.0 45 47 A I E -A 37 0A 0 -8,-2.6 -9,-2.0 -2,-0.1 -8,-0.8 -0.938 25.3-161.0-103.0 117.5 4.5 21.3 5.8 46 48 A Y E -A 35 0A 37 -2,-0.6 62,-0.4 62,-0.3 2,-0.4 -0.817 16.6-173.4-112.4 137.7 4.1 21.8 9.6 47 49 A V E -A 34 0A 0 -13,-3.0 -13,-3.4 -2,-0.4 2,-0.6 -0.992 19.4-139.0-124.3 133.4 6.0 20.5 12.6 48 50 A L E -AB 33 105A 0 57,-3.1 57,-2.9 -2,-0.4 2,-0.6 -0.828 15.4-154.8 -90.6 124.7 4.9 21.1 16.2 49 51 A K E -AB 32 104A 62 -17,-2.7 -17,-1.9 -2,-0.6 2,-0.6 -0.904 4.7-164.3-100.3 121.6 7.9 21.8 18.5 50 52 A F E +AB 31 103A 0 53,-3.2 53,-2.1 -2,-0.6 2,-0.3 -0.933 26.4 154.0-105.0 119.2 7.3 20.9 22.1 51 53 A S - 0 0 17 -21,-2.6 51,-0.1 -2,-0.6 48,-0.1 -0.996 44.1-163.1-152.7 139.5 9.9 22.6 24.3 52 54 A T - 0 0 47 46,-0.7 2,-0.4 -2,-0.3 -1,-0.1 0.358 67.2 -94.9 -99.3 1.8 10.4 23.9 27.9 53 55 A G + 0 0 32 -23,-0.1 4,-0.3 48,-0.0 -1,-0.2 -0.976 66.3 133.0 127.9-137.7 13.5 25.9 26.8 54 56 A G - 0 0 59 -2,-0.4 2,-0.6 1,-0.1 46,-0.0 -0.023 64.3 -70.9 74.0 178.4 17.2 25.2 26.9 55 57 A S S S- 0 0 96 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.926 94.4 -41.5-117.6 109.4 19.8 25.7 24.1 56 58 A N S S- 0 0 77 -2,-0.6 -1,-0.1 1,-0.1 3,-0.1 0.748 87.6-175.6 44.8 34.2 19.6 23.3 21.1 57 59 A R - 0 0 59 -4,-0.3 45,-0.2 1,-0.1 129,-0.1 0.027 35.2 -70.5 -59.5 162.2 18.9 20.5 23.5 58 60 A P - 0 0 44 0, 0.0 44,-2.1 0, 0.0 2,-0.3 -0.178 59.9-149.2 -57.3 150.5 18.6 16.8 22.4 59 61 A A E -cd 102 187A 0 127,-2.0 129,-3.2 42,-0.2 130,-1.5 -0.866 18.2-144.4-131.2 155.1 15.5 16.1 20.4 60 62 A I E -cd 103 189A 0 42,-2.6 44,-3.2 -2,-0.3 2,-0.4 -0.978 19.3-153.2-115.7 128.9 12.9 13.4 19.6 61 63 A W E -cd 104 190A 0 128,-2.9 130,-3.3 -2,-0.5 2,-0.4 -0.886 13.2-180.0-101.0 133.7 11.5 13.2 16.1 62 64 A I E -cd 105 191A 0 42,-2.6 44,-3.2 -2,-0.4 2,-0.4 -0.955 2.9-174.4-133.0 115.7 8.0 11.8 15.4 63 65 A D E +cd 106 192A 0 128,-2.3 130,-3.2 -2,-0.4 2,-0.3 -0.899 4.9 179.6-107.1 138.1 6.6 11.6 11.9 64 66 A L E + d 0 193A 0 42,-2.6 45,-2.3 -2,-0.4 46,-0.2 -0.927 58.6 24.0-129.1 155.7 3.0 10.5 11.1 65 67 A G + 0 0 0 128,-0.7 45,-0.9 -2,-0.3 49,-0.1 0.738 60.5 142.3 65.7 27.0 1.1 10.2 7.9 66 68 A I S S+ 0 0 1 127,-0.5 2,-0.6 1,-0.2 75,-0.3 0.857 78.4 50.5 -64.4 -32.0 4.0 9.8 5.5 67 69 A H S > S- 0 0 3 1,-0.1 3,-1.8 3,-0.1 -1,-0.2 -0.942 89.9-150.5-103.4 111.3 1.7 7.3 3.7 68 70 A S T 3 S+ 0 0 0 57,-1.0 57,-0.2 -2,-0.6 6,-0.1 0.750 86.6 60.7 -62.1 -31.8 -1.5 9.3 3.4 69 71 A R T 3 S+ 0 0 14 55,-1.0 2,-2.0 54,-0.2 -1,-0.3 0.597 79.2 90.9 -71.6 -11.7 -4.1 6.4 3.5 70 72 A E X> + 0 0 3 -3,-1.8 3,-2.3 1,-0.2 4,-0.7 -0.404 53.2 167.4 -85.8 64.4 -2.9 5.4 7.0 71 73 A W H 3> + 0 0 34 -2,-2.0 4,-2.0 206,-0.4 -1,-0.2 0.702 64.2 68.7 -55.5 -29.5 -5.5 7.7 8.6 72 74 A I H 3> S+ 0 0 4 205,-0.2 4,-2.1 -3,-0.2 -1,-0.3 0.815 96.7 57.4 -60.8 -28.1 -5.1 6.2 12.1 73 75 A T H <> S+ 0 0 0 -3,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.952 107.3 41.8 -71.6 -51.5 -1.6 7.8 12.2 74 76 A Q H X S+ 0 0 1 -4,-0.7 4,-2.0 1,-0.2 -2,-0.2 0.908 116.5 52.0 -61.1 -38.8 -2.6 11.5 11.6 75 77 A A H X S+ 0 0 13 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.898 110.2 47.5 -63.1 -41.6 -5.5 10.9 14.0 76 78 A T H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.865 108.2 56.6 -65.2 -37.1 -3.0 9.5 16.6 77 79 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.884 105.7 49.6 -63.4 -42.0 -0.7 12.5 16.0 78 80 A V H X S+ 0 0 5 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.930 112.6 47.7 -58.4 -48.3 -3.4 15.0 16.9 79 81 A W H X S+ 0 0 32 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.925 111.0 51.8 -58.8 -47.9 -4.2 13.0 20.1 80 82 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.923 105.8 55.0 -51.8 -50.9 -0.5 12.9 20.9 81 83 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.919 112.2 42.2 -53.8 -48.1 -0.2 16.7 20.5 82 84 A K H X S+ 0 0 12 -4,-1.8 4,-1.7 1,-0.2 3,-0.3 0.922 111.5 56.4 -63.4 -45.2 -3.0 17.3 23.0 83 85 A K H X S+ 0 0 44 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.866 102.5 55.2 -55.8 -42.9 -1.6 14.6 25.4 84 86 A F H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.892 109.1 47.0 -57.7 -43.8 1.8 16.3 25.5 85 87 A T H < S+ 0 0 14 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.786 115.6 46.2 -71.9 -27.9 0.2 19.6 26.7 86 88 A E H < S+ 0 0 94 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.886 115.3 44.0 -76.5 -41.8 -1.9 17.8 29.3 87 89 A D H >X S+ 0 0 24 -4,-2.7 4,-2.7 -5,-0.2 3,-2.2 0.708 83.7 101.3 -84.4 -24.4 0.9 15.6 30.7 88 90 A Y T 3< S+ 0 0 73 -4,-1.6 7,-0.0 1,-0.3 5,-0.0 -0.507 99.2 11.0 -65.7 121.3 3.7 18.1 31.1 89 91 A G T 34 S+ 0 0 48 2,-0.4 -1,-0.3 -2,-0.4 -2,-0.1 0.382 129.2 61.1 89.9 -2.1 3.8 19.1 34.7 90 92 A Q T <4 S+ 0 0 153 -3,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.695 93.4 55.7-118.3 -51.9 1.4 16.3 35.7 91 93 A D S X S- 0 0 49 -4,-2.7 4,-2.7 1,-0.1 -2,-0.4 -0.800 72.1-149.2 -88.3 118.9 3.1 13.0 34.7 92 94 A P H > S+ 0 0 104 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.875 94.5 47.2 -54.4 -43.3 6.5 12.7 36.4 93 95 A S H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.939 115.2 42.7 -68.1 -48.4 8.1 10.6 33.6 94 96 A F H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.878 112.2 56.1 -65.8 -35.3 6.9 12.8 30.7 95 97 A T H X S+ 0 0 26 -4,-2.7 4,-1.8 -8,-0.3 -2,-0.2 0.942 106.8 49.7 -59.3 -47.1 7.8 15.9 32.7 96 98 A A H X S+ 0 0 40 -4,-2.1 4,-0.8 -5,-0.2 -1,-0.2 0.863 110.8 50.9 -58.5 -40.1 11.4 14.6 33.0 97 99 A I H >X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 3,-1.0 0.958 112.9 42.8 -63.2 -50.7 11.5 13.9 29.2 98 100 A L H 3< S+ 0 0 0 -4,-2.6 -46,-0.7 1,-0.3 -1,-0.2 0.709 108.5 61.2 -74.2 -18.6 10.3 17.4 28.2 99 101 A D H 3< S+ 0 0 70 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.726 119.8 25.6 -72.4 -24.2 12.6 19.0 30.8 100 102 A S H << S+ 0 0 64 -3,-1.0 2,-0.3 -4,-0.8 -2,-0.2 0.583 125.7 38.4-113.2 -19.6 15.7 17.5 29.1 101 103 A M < - 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0 0 15 -75,-0.1 -74,-1.5 -76,-0.1 -75,-0.3 0.527 51.3-137.7-104.9-143.3 -5.2 -3.4 13.2 272 274 A T S S- 0 0 97 -76,-0.1 -2,-0.1 -75,-0.1 -3,-0.0 0.501 80.2 -64.8-100.6 -5.7 -3.8 -6.7 11.7 273 275 A G S S+ 0 0 39 3,-0.1 4,-0.1 0, 0.0 -3,-0.0 0.326 105.4 108.1 141.4 -8.3 -6.0 -6.6 8.6 274 276 A R S S+ 0 0 143 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.972 113.7 0.2 -58.6 -53.7 -9.7 -7.0 9.7 275 277 A Y S > S+ 0 0 123 1,-0.2 3,-1.9 5,-0.0 -1,-0.1 0.623 94.7 176.5-106.0 -23.1 -10.3 -3.3 8.9 276 278 A G G > S- 0 0 5 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 -0.312 70.6 -2.9 59.0-125.3 -6.8 -2.5 7.7 277 279 A F G 3 S+ 0 0 45 1,-0.3 -206,-0.4 -4,-0.1 -1,-0.3 0.746 131.2 64.5 -70.9 -23.5 -6.5 1.1 6.4 278 280 A L G < + 0 0 99 -3,-1.9 -1,-0.3 -208,-0.1 -2,-0.2 -0.148 69.7 163.5 -95.7 37.3 -10.2 1.7 7.0 279 281 A L < - 0 0 5 -3,-0.8 5,-0.1 -9,-0.2 4,-0.0 -0.389 46.3-108.0 -55.1 122.1 -10.0 1.3 10.8 280 282 A P > - 0 0 50 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.239 21.0-116.4 -60.9 148.5 -13.2 2.8 12.1 281 283 A A G > S+ 0 0 28 1,-0.3 3,-1.8 2,-0.2 4,-0.5 0.730 109.7 70.9 -57.5 -28.3 -13.0 6.2 13.9 282 284 A S G 3 S+ 0 0 83 1,-0.3 -1,-0.3 2,-0.1 -273,-0.1 0.616 94.5 58.4 -64.9 -10.2 -14.2 4.7 17.2 283 285 A Q G <> S+ 0 0 58 -3,-2.2 4,-2.2 2,-0.1 -1,-0.3 0.511 82.2 87.3 -94.9 -8.4 -10.8 3.0 17.4 284 286 A I H <> S+ 0 0 0 -3,-1.8 4,-2.9 -4,-0.2 5,-0.2 0.951 89.1 44.0 -56.7 -56.7 -8.8 6.2 17.2 285 287 A I H > S+ 0 0 52 -4,-0.5 4,-3.0 1,-0.2 5,-0.2 0.949 115.2 45.6 -62.4 -50.1 -8.7 7.0 20.9 286 288 A P H > S+ 0 0 22 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.888 115.3 49.2 -62.0 -36.1 -7.9 3.5 22.2 287 289 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.952 113.3 46.0 -60.3 -51.2 -5.2 3.1 19.5 288 290 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.917 111.9 52.4 -60.1 -44.9 -3.7 6.5 20.4 289 291 A Q H X S+ 0 0 60 -4,-3.0 4,-1.2 2,-0.2 -1,-0.2 0.920 114.4 39.8 -56.1 -51.4 -3.8 5.7 24.2 290 292 A E H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.889 114.7 53.5 -70.2 -37.7 -2.0 2.4 24.0 291 293 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.868 102.3 59.9 -65.5 -35.8 0.4 3.7 21.3 292 294 A W H X S+ 0 0 8 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.907 101.0 53.9 -56.5 -44.2 1.3 6.5 23.7 293 295 A L H X S+ 0 0 51 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.874 110.4 47.0 -60.4 -39.1 2.5 4.1 26.3 294 296 A G H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.930 114.3 46.0 -65.9 -47.4 4.8 2.5 23.8 295 297 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.913 111.1 52.3 -62.7 -44.6 6.2 5.8 22.6 296 298 A L H X S+ 0 0 17 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.899 106.5 54.7 -58.8 -42.9 6.6 7.1 26.2 297 299 A T H X S+ 0 0 17 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.912 108.8 47.3 -57.6 -45.4 8.6 3.9 27.0 298 300 A I H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.932 111.2 52.0 -62.0 -44.8 11.0 4.6 24.1 299 301 A M H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.868 106.3 53.8 -58.5 -39.6 11.3 8.2 25.2 300 302 A E H < S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.874 110.1 47.4 -62.5 -38.6 12.2 7.1 28.8 301 303 A H H < S+ 0 0 73 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.769 110.1 52.3 -72.0 -29.6 15.0 4.9 27.4 302 304 A T H < 0 0 18 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.816 360.0 360.0 -73.4 -32.3 16.2 7.8 25.2 303 305 A L < 0 0 91 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.1 0.934 360.0 360.0 -69.6 360.0 16.3 9.9 28.4