==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 06-MAY-05 1ZLH . COMPND 2 MOLECULE: CARBOXYPEPTIDASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.L.AROLAS,G.M.POPOWICZ,J.LORENZO,C.P.SOMMERHOFF,R.HUBER, . 375 3 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 8.3 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 . 27 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 2 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 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 71 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 175.8 20.7 11.5 -6.7 2 4 A T + 0 0 0 1,-0.2 21,-0.1 2,-0.2 80,-0.0 0.596 360.0 65.9 -78.9 -12.3 20.0 9.7 -3.3 3 5 A N S S+ 0 0 120 1,-0.2 -1,-0.2 3,-0.0 79,-0.0 0.832 106.2 41.5 -68.9 -35.9 23.6 10.7 -2.4 4 6 A T S S+ 0 0 115 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.398 88.9 119.3 -92.5 0.3 22.5 14.4 -2.5 5 7 A F S S- 0 0 40 -4,-0.2 2,-1.0 1,-0.1 3,-0.1 -0.405 71.3-119.3 -64.5 141.8 19.2 13.7 -0.7 6 8 A N > + 0 0 90 1,-0.2 3,-0.6 -2,-0.1 -1,-0.1 -0.749 36.8 171.5 -87.6 100.4 18.8 15.6 2.6 7 9 A Y T 3 + 0 0 36 -2,-1.0 -1,-0.2 1,-0.2 72,-0.1 0.601 69.8 70.0 -82.4 -12.6 18.3 12.8 5.2 8 10 A A T 3 S+ 0 0 49 275,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.122 94.1 61.8 -95.0 20.4 18.6 15.3 8.1 9 11 A T S < S- 0 0 51 -3,-0.6 2,-0.2 66,-0.1 -3,-0.0 -0.973 85.6-103.5-140.8 156.7 15.3 17.1 7.4 10 12 A Y - 0 0 41 -2,-0.3 2,-0.2 297,-0.1 -2,-0.1 -0.593 41.2-161.7 -78.9 142.4 11.6 16.1 7.3 11 13 A H - 0 0 34 -2,-0.2 2,-0.1 -4,-0.1 64,-0.0 -0.731 16.3-105.9-124.0 167.4 10.0 15.7 3.9 12 14 A T > - 0 0 37 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.424 37.1-105.0 -86.0 164.9 6.6 15.6 2.2 13 15 A L H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.929 121.9 50.7 -50.3 -52.4 4.8 12.5 0.9 14 16 A D H > S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.872 108.4 51.5 -60.8 -39.4 5.6 13.5 -2.7 15 17 A E H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.874 110.9 48.3 -64.6 -39.1 9.3 14.0 -1.9 16 18 A I H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.907 111.5 50.0 -66.6 -41.2 9.5 10.5 -0.2 17 19 A Y H X S+ 0 0 18 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.891 110.7 48.9 -65.2 -39.8 7.7 9.0 -3.3 18 20 A D H X S+ 0 0 107 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.887 108.2 55.7 -64.6 -39.0 10.1 10.7 -5.7 19 21 A F H X S+ 0 0 4 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.888 103.9 54.1 -58.6 -41.8 13.0 9.3 -3.4 20 22 A M H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.917 109.0 47.9 -58.1 -45.4 11.6 5.8 -3.9 21 23 A D H X S+ 0 0 74 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.885 112.2 49.0 -65.4 -39.5 11.7 6.2 -7.7 22 24 A L H X S+ 0 0 67 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.910 110.7 50.1 -65.5 -43.2 15.3 7.6 -7.6 23 25 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.869 112.4 47.2 -64.5 -38.7 16.5 4.7 -5.3 24 26 A V H < S+ 0 0 35 -4,-2.0 7,-0.2 2,-0.2 -1,-0.2 0.892 110.3 52.3 -69.2 -42.4 15.0 2.1 -7.6 25 27 A A H < S+ 0 0 73 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.858 113.4 44.8 -61.3 -35.5 16.5 3.7 -10.7 26 28 A E H < S+ 0 0 65 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.731 126.7 27.9 -80.2 -26.4 19.9 3.7 -9.1 27 29 A H >X + 0 0 44 -4,-1.3 4,-2.5 -5,-0.1 3,-1.6 -0.422 67.0 154.7-135.3 57.7 19.8 0.1 -7.8 28 30 A P T 34 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.686 74.9 56.0 -66.2 -20.3 17.4 -1.8 -10.1 29 31 A Q T 34 S+ 0 0 175 -3,-0.1 3,-0.1 1,-0.1 -5,-0.1 0.614 119.2 31.2 -81.3 -14.9 19.1 -5.2 -9.2 30 32 A L T <4 S+ 0 0 20 -3,-1.6 21,-2.4 1,-0.2 2,-0.4 0.732 117.3 40.5-113.3 -35.8 18.4 -4.7 -5.5 31 33 A V E < +A 50 0A 3 -4,-2.5 2,-0.3 19,-0.2 -1,-0.2 -0.950 52.2 177.5-129.5 140.2 15.2 -2.7 -5.0 32 34 A S E -A 49 0A 48 17,-1.9 17,-2.8 -2,-0.4 2,-0.5 -0.968 26.3-124.9-135.1 152.8 11.8 -2.6 -6.6 33 35 A K E -A 48 0A 63 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.881 25.1-171.9-104.3 123.9 8.7 -0.6 -5.9 34 36 A L E -A 47 0A 50 13,-3.0 13,-2.6 -2,-0.5 2,-0.6 -0.906 18.5-143.3-111.4 140.0 5.4 -2.4 -5.3 35 37 A Q E -A 46 0A 89 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.938 17.4-179.1 -97.5 117.6 2.0 -0.8 -4.9 36 38 A I E - 0 0 24 9,-1.9 2,-0.3 -2,-0.6 10,-0.1 0.520 60.8 -44.8 -93.1 -8.4 0.1 -2.8 -2.2 37 39 A G E -A 45 0A 19 8,-0.9 8,-2.4 139,-0.0 2,-0.4 -0.983 59.3 -84.8 169.2-170.8 -3.1 -0.7 -2.5 38 40 A R E -A 44 0A 130 -2,-0.3 133,-0.1 6,-0.2 137,-0.1 -0.996 41.8-119.4-130.9 131.1 -4.7 2.7 -2.7 39 41 A S > - 0 0 7 4,-3.3 3,-2.0 -2,-0.4 71,-0.0 0.000 33.3 -97.3 -65.2 170.8 -5.5 4.9 0.3 40 42 A Y T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.890 127.8 47.3 -53.6 -41.1 -8.9 6.1 1.3 41 43 A E T 3 S- 0 0 89 2,-0.1 -1,-0.3 88,-0.0 -2,-0.1 0.237 127.4 -97.6 -90.2 12.7 -8.2 9.4 -0.4 42 44 A G S < S+ 0 0 38 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.0 0.649 74.5 141.0 86.8 18.8 -6.9 7.7 -3.6 43 45 A R - 0 0 76 1,-0.1 -4,-3.3 0, 0.0 -1,-0.3 -0.714 56.4-107.8 -92.2 142.1 -3.1 7.8 -3.0 44 46 A P E -A 38 0A 26 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.403 25.9-142.5 -63.8 142.1 -0.9 4.9 -4.0 45 47 A I E -A 37 0A 0 -8,-2.4 -9,-1.9 -6,-0.0 -8,-0.9 -0.966 24.1-160.2-108.1 121.7 0.5 2.9 -1.1 46 48 A Y E -A 35 0A 37 -2,-0.5 62,-0.4 62,-0.3 2,-0.4 -0.868 18.7-175.4-117.4 137.0 4.1 1.8 -1.8 47 49 A V E -A 34 0A 0 -13,-2.6 -13,-3.0 -2,-0.4 2,-0.5 -0.977 20.3-139.1-120.5 139.1 6.4 -0.8 -0.4 48 50 A L E -AB 33 105A 0 57,-2.6 57,-2.6 -2,-0.4 2,-0.6 -0.878 13.1-151.8 -95.6 127.5 10.1 -1.2 -1.4 49 51 A K E -AB 32 104A 65 -17,-2.8 -17,-1.9 -2,-0.5 2,-0.5 -0.904 6.0-163.9 -98.0 122.3 11.3 -4.8 -1.9 50 52 A F E +AB 31 103A 0 53,-3.1 53,-2.2 -2,-0.6 2,-0.3 -0.949 29.8 143.7-104.1 121.0 15.0 -5.3 -1.2 51 53 A S - 0 0 15 -21,-2.4 51,-0.1 -2,-0.5 48,-0.1 -0.993 49.7-153.9-157.7 145.2 16.1 -8.6 -2.7 52 54 A T - 0 0 47 46,-0.8 2,-0.4 -2,-0.3 -22,-0.1 0.191 66.3 -99.8-102.7 11.8 19.1 -10.3 -4.4 53 55 A G + 0 0 35 -23,-0.1 -1,-0.3 48,-0.1 4,-0.2 -0.895 67.1 128.8 117.5-138.7 16.8 -12.8 -6.1 54 56 A G - 0 0 61 -2,-0.4 2,-0.4 -3,-0.1 46,-0.0 -0.157 59.9 -76.5 78.2-173.3 16.0 -16.4 -5.1 55 57 A S S S- 0 0 111 1,-0.1 -1,-0.1 -2,-0.0 0, 0.0 -0.994 96.4 -16.2-132.1 126.3 12.7 -18.1 -4.6 56 58 A N S S- 0 0 104 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.849 79.9-173.9 54.1 39.8 10.4 -17.8 -1.6 57 59 A R - 0 0 56 -4,-0.2 45,-0.2 1,-0.1 -1,-0.2 -0.408 36.3 -96.0 -65.9 138.8 13.2 -16.3 0.5 58 60 A P - 0 0 44 0, 0.0 44,-1.6 0, 0.0 2,-0.3 -0.333 52.5-141.5 -54.5 138.1 12.2 -15.7 4.2 59 61 A A E -cd 102 186A 0 126,-2.1 128,-2.9 42,-0.2 129,-1.6 -0.774 17.4-149.8-118.2 150.7 11.0 -12.1 4.5 60 62 A I E -cd 103 188A 0 42,-2.1 44,-3.1 -2,-0.3 2,-0.4 -0.978 16.0-155.6-115.8 124.5 11.2 -9.2 7.0 61 63 A W E -cd 104 189A 0 127,-2.6 129,-2.9 -2,-0.5 2,-0.4 -0.833 11.9-178.5 -98.2 135.4 8.4 -6.7 7.0 62 64 A I E -cd 105 190A 0 42,-2.3 44,-3.0 -2,-0.4 2,-0.4 -0.969 1.9-174.8-132.9 117.7 9.0 -3.2 8.3 63 65 A D E +cd 106 191A 0 127,-2.4 129,-3.2 -2,-0.4 2,-0.3 -0.955 4.3 177.5-114.3 138.6 6.2 -0.6 8.5 64 66 A L E + d 0 192A 0 42,-2.7 45,-2.2 -2,-0.4 46,-0.2 -0.893 58.2 27.9-129.1 155.6 6.7 3.0 9.5 65 67 A G + 0 0 0 127,-0.7 45,-1.1 -2,-0.3 49,-0.1 0.710 60.4 139.3 68.7 24.6 4.3 5.9 9.7 66 68 A I S S+ 0 0 1 126,-0.4 2,-0.6 43,-0.2 74,-0.3 0.872 78.0 50.9 -62.9 -33.2 1.1 4.0 10.5 67 69 A H S > S- 0 0 1 1,-0.1 3,-1.7 3,-0.1 -1,-0.2 -0.933 89.3-149.7-105.9 111.8 0.5 6.8 12.9 68 70 A S T 3 S+ 0 0 0 57,-1.0 57,-0.2 -2,-0.6 -1,-0.1 0.779 87.0 58.7 -60.9 -36.6 1.0 10.0 10.8 69 71 A R T 3 S+ 0 0 7 55,-1.1 2,-2.1 1,-0.2 -1,-0.3 0.609 79.6 91.6 -69.9 -12.1 2.2 12.4 13.5 70 72 A E X> + 0 0 0 -3,-1.7 3,-2.5 1,-0.2 4,-0.7 -0.395 52.5 167.1 -83.5 63.8 5.2 10.2 14.3 71 73 A W H 3> + 0 0 14 -2,-2.1 4,-2.0 205,-0.4 -1,-0.2 0.707 64.0 68.8 -58.5 -29.0 7.4 12.0 11.8 72 74 A I H 3> S+ 0 0 3 204,-0.3 4,-1.9 -3,-0.2 -1,-0.3 0.802 96.8 56.8 -58.9 -27.7 10.6 10.4 13.1 73 75 A T H <> S+ 0 0 0 -3,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.951 106.8 43.5 -74.1 -48.4 9.4 7.1 11.7 74 76 A Q H X S+ 0 0 1 -4,-0.7 4,-2.0 1,-0.2 -2,-0.2 0.919 115.5 51.4 -61.5 -41.1 8.9 8.1 8.1 75 77 A A H X S+ 0 0 14 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.876 110.4 48.0 -61.7 -41.4 12.3 9.9 8.2 76 78 A T H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.855 107.6 57.3 -65.7 -36.9 14.0 6.8 9.6 77 79 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.903 105.7 48.8 -61.0 -42.5 12.3 4.8 6.9 78 80 A V H X S+ 0 0 3 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.930 112.6 48.3 -63.4 -44.4 13.9 7.0 4.2 79 81 A W H X S+ 0 0 37 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.914 110.0 52.4 -63.1 -42.7 17.3 6.6 5.9 80 82 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.909 105.5 55.2 -56.3 -47.9 16.8 2.8 6.2 81 83 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.922 113.1 41.0 -55.0 -47.6 16.1 2.5 2.4 82 84 A K H X S+ 0 0 19 -4,-1.8 4,-1.6 1,-0.2 3,-0.4 0.930 111.8 56.5 -65.9 -44.5 19.3 4.3 1.5 83 85 A K H X S+ 0 0 45 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.868 102.4 55.7 -56.1 -40.8 21.3 2.4 4.2 84 86 A F H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.896 110.6 44.3 -60.8 -42.2 20.2 -1.0 2.7 85 87 A T H < S+ 0 0 14 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.724 115.5 49.7 -73.3 -24.6 21.6 -0.0 -0.7 86 88 A E H < S+ 0 0 95 -4,-1.6 -2,-0.2 -3,-0.1 -1,-0.2 0.877 116.0 37.9 -79.1 -41.7 24.8 1.4 0.9 87 89 A D H >X S+ 0 0 26 -4,-2.6 3,-2.2 -5,-0.2 4,-1.7 0.663 86.1 104.7 -93.5 -18.4 25.7 -1.6 3.1 88 90 A Y T 3< S+ 0 0 70 -4,-1.4 7,-0.1 -5,-0.3 -58,-0.0 -0.510 94.4 17.2 -63.0 127.0 24.7 -4.4 0.8 89 91 A G T 34 S+ 0 0 46 2,-0.4 -1,-0.3 -2,-0.3 -2,-0.1 0.318 128.0 56.9 90.8 -5.7 28.1 -5.8 -0.5 90 92 A Q T <4 S+ 0 0 152 -3,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.725 91.5 58.8-117.9 -65.0 30.1 -4.1 2.3 91 93 A D S X S- 0 0 48 -4,-1.7 4,-2.6 1,-0.2 -2,-0.4 -0.654 72.4-151.6 -71.8 113.4 28.8 -5.1 5.8 92 94 A P H > S+ 0 0 105 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.843 92.6 50.5 -58.3 -38.9 29.2 -9.0 5.8 93 95 A S H > S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.930 115.1 41.7 -64.2 -47.6 26.4 -9.5 8.3 94 96 A F H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.853 112.8 54.2 -70.7 -34.5 23.9 -7.4 6.3 95 97 A T H X S+ 0 0 26 -4,-2.6 4,-1.5 -8,-0.2 -1,-0.2 0.924 108.4 50.1 -62.6 -42.3 25.1 -8.8 3.0 96 98 A A H X S+ 0 0 50 -4,-2.0 4,-0.6 -5,-0.2 -2,-0.2 0.870 108.3 53.2 -64.7 -38.2 24.4 -12.3 4.4 97 99 A I H >X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 3,-0.8 0.930 112.6 42.8 -60.9 -46.8 20.9 -11.3 5.4 98 100 A L H 3< S+ 0 0 0 -4,-2.1 -46,-0.8 1,-0.2 -1,-0.2 0.671 108.7 59.1 -79.5 -16.1 20.0 -10.0 1.9 99 101 A D H 3< S+ 0 0 67 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.599 121.7 26.1 -80.9 -14.4 21.6 -13.0 0.3 100 102 A S H << S+ 0 0 65 -3,-0.8 2,-0.3 -4,-0.6 -2,-0.2 0.506 125.7 37.4-120.9 -12.1 19.2 -15.3 2.2 101 103 A M < - 0 0 3 -4,-1.6 2,-0.3 -44,-0.2 -49,-0.3 -0.938 64.4-131.0-144.2 156.0 16.2 -13.0 2.9 102 104 A D E - c 0 59A 6 -44,-1.6 -42,-2.1 -2,-0.3 2,-0.4 -0.854 17.9-149.3-105.8 149.0 14.1 -10.3 1.4 103 105 A I E -Bc 50 60A 0 -53,-2.2 -53,-3.1 -2,-0.3 2,-0.5 -0.977 4.3-162.0-118.4 131.7 13.2 -7.1 3.2 104 106 A F E -Bc 49 61A 3 -44,-3.1 -42,-2.3 -2,-0.4 2,-0.5 -0.974 11.5-168.6-115.6 118.8 9.9 -5.3 2.5 105 107 A L E -Bc 48 62A 1 -57,-2.6 -57,-2.6 -2,-0.5 2,-0.7 -0.940 13.0-171.6-116.7 117.5 9.9 -1.6 3.7 106 108 A E E + c 0 63A 0 -44,-3.0 -42,-2.7 -2,-0.5 3,-0.4 -0.888 6.2 179.7-108.8 101.3 6.8 0.6 4.0 107 109 A I S S+ 0 0 0 -2,-0.7 2,-0.4 -61,-0.3 -30,-0.2 0.848 77.6 29.2 -72.0 -37.1 8.0 4.1 4.7 108 110 A V + 0 0 2 -62,-0.4 -62,-0.3 1,-0.1 -1,-0.3 -0.793 63.0 168.5-129.3 88.8 4.5 5.8 4.8 109 111 A T S S+ 0 0 0 -45,-2.2 -43,-0.2 -2,-0.4 -44,-0.2 0.781 81.9 38.4 -74.6 -25.8 1.9 3.3 5.9 110 112 A N > + 0 0 0 -45,-1.1 4,-2.0 -46,-0.2 -1,-0.3 -0.737 68.8 167.0-125.0 75.8 -0.7 6.0 6.4 111 113 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.842 74.6 53.9 -63.1 -36.7 -0.2 8.4 3.5 112 114 A D H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.903 111.6 46.0 -64.2 -43.9 -3.5 10.4 3.9 113 115 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 110.5 54.5 -62.6 -40.3 -2.7 11.1 7.5 114 116 A F H X S+ 0 0 12 -4,-2.0 4,-1.1 2,-0.2 3,-0.2 0.952 109.4 45.8 -61.4 -51.0 0.9 12.0 6.6 115 117 A A H >X S+ 0 0 23 -4,-2.4 4,-1.6 1,-0.2 3,-0.6 0.909 112.2 53.6 -54.7 -44.0 -0.2 14.7 4.1 116 118 A F H 3X>S+ 0 0 24 -4,-1.9 5,-2.4 1,-0.2 4,-2.3 0.836 103.5 54.9 -64.5 -35.9 -2.8 15.9 6.6 117 119 A T H 3<5S+ 0 0 0 -4,-2.1 196,-0.5 -3,-0.2 -1,-0.2 0.766 110.5 48.2 -68.3 -25.3 -0.1 16.4 9.3 118 120 A H H <<5S+ 0 0 36 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.836 124.6 25.5 -81.0 -34.9 1.8 18.6 6.9 119 121 A S H <5S+ 0 0 38 -4,-1.6 212,-2.1 2,-0.1 213,-0.6 0.588 136.3 2.6-110.3 -15.6 -1.1 20.8 5.8 120 122 A Q T <5S+ 0 0 66 -4,-2.3 213,-0.3 193,-0.2 2,-0.3 0.600 123.0 22.0-138.9 -47.0 -3.7 20.9 8.5 121 123 A N > < - 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