==== 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 18-JUL-05 2ABZ . COMPND 2 MOLECULE: CARBOXYPEPTIDASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.L.AROLAS,G.M.POPOWICZ,S.BRONSOMS,F.X.AVILES,R.HUBER, . 826 15 14 7 7 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 13.7 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 59 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 2 3 0 3 0 0 0 2 2 0 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 0 2 2 2 2 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 2 6 3 0 2 2 4 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 . 2 1 1 2 0 0 2 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 4 A T 0 0 7 0, 0.0 80,-0.0 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 -9.2 111.5 15.5 -21.1 2 5 A N + 0 0 126 1,-0.2 79,-0.0 3,-0.0 0, 0.0 0.797 360.0 40.3 -77.2 -33.8 108.3 13.5 -20.8 3 6 A T S S+ 0 0 144 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.508 92.4 114.7 -90.3 -7.5 110.2 10.4 -20.0 4 7 A F S S- 0 0 35 1,-0.1 2,-1.0 14,-0.0 0, 0.0 -0.366 72.5-121.8 -62.1 137.9 112.6 12.3 -17.7 5 8 A N > + 0 0 88 1,-0.2 3,-0.6 -2,-0.1 -1,-0.1 -0.752 32.6 174.9 -90.4 102.0 112.4 11.3 -14.0 6 9 A Y T 3 S+ 0 0 32 -2,-1.0 -1,-0.2 1,-0.2 72,-0.1 0.592 72.7 69.6 -79.0 -13.2 111.5 14.5 -12.0 7 10 A A T 3 S+ 0 0 43 274,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.011 93.8 70.9 -93.7 26.1 111.1 12.5 -8.7 8 11 A T S < S- 0 0 52 -3,-0.6 2,-0.3 66,-0.1 271,-0.0 -0.990 85.2-107.8-144.8 147.0 114.9 11.8 -8.6 9 12 A Y - 0 0 41 -2,-0.3 2,-0.3 1,-0.0 -2,-0.1 -0.607 38.7-152.2 -76.7 133.7 118.0 13.8 -7.9 10 13 A H - 0 0 22 -2,-0.3 2,-0.1 60,-0.2 64,-0.1 -0.705 11.1-122.9-110.4 156.8 120.2 14.4 -11.0 11 14 A T > - 0 0 55 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.334 41.4 -99.6 -82.1 175.0 123.9 15.0 -11.6 12 15 A L H > S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.794 123.0 53.2 -70.8 -30.3 125.0 18.2 -13.4 13 16 A D H > S+ 0 0 119 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.873 107.8 51.2 -71.1 -40.1 125.3 16.4 -16.8 14 17 A E H > S+ 0 0 81 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.942 112.7 45.5 -60.8 -47.3 121.8 15.1 -16.5 15 18 A I H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.848 114.0 48.8 -64.0 -39.0 120.4 18.6 -15.8 16 19 A Y H X S+ 0 0 17 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.902 112.5 47.2 -72.8 -40.8 122.4 20.1 -18.6 17 20 A D H >X S+ 0 0 97 -4,-2.7 4,-2.3 1,-0.2 3,-0.8 0.940 108.4 57.3 -59.9 -47.3 121.3 17.5 -21.1 18 21 A F H 3X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.3 -2,-0.2 0.873 102.9 54.2 -47.3 -45.9 117.7 18.0 -19.8 19 22 A M H 3X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.3 0.822 107.8 49.1 -61.2 -36.2 118.1 21.7 -20.8 20 23 A D H X + 0 0 48 -4,-1.8 4,-2.8 -5,-0.2 3,-1.2 -0.441 67.2 154.1-129.4 61.1 110.2 24.1 -27.3 27 30 A P T 34 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.775 75.8 49.5 -65.7 -28.4 112.4 26.2 -29.6 28 31 A Q T 34 S+ 0 0 172 1,-0.1 3,-0.1 23,-0.0 -5,-0.1 0.613 121.7 34.0 -85.7 -12.2 110.0 29.2 -29.9 29 32 A L T <4 S+ 0 0 20 -3,-1.2 21,-2.8 1,-0.2 2,-0.4 0.812 117.0 39.9-106.5 -48.6 109.5 29.4 -26.1 30 33 A V E < +A 49 0A 1 -4,-2.8 2,-0.3 19,-0.2 -1,-0.2 -0.902 54.3 178.5-117.3 134.6 112.8 28.4 -24.4 31 34 A S E -A 48 0A 49 17,-2.0 17,-3.1 -2,-0.4 2,-0.7 -0.961 27.3-126.8-126.2 149.2 116.5 29.2 -25.2 32 35 A K E -A 47 0A 58 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.860 26.5-168.4-101.8 109.7 119.7 28.2 -23.4 33 36 A L E -A 46 0A 40 13,-3.0 13,-3.0 -2,-0.7 2,-0.7 -0.784 13.3-147.1 -98.0 137.3 121.9 31.1 -22.6 34 37 A Q E +A 45 0A 95 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.919 17.6 177.5-104.7 114.4 125.5 30.7 -21.3 35 38 A I E - 0 0 29 9,-2.4 2,-0.3 -2,-0.7 10,-0.1 0.533 58.2 -43.3 -99.4 -5.9 126.3 33.5 -19.0 36 39 A G E -A 44 0A 18 8,-0.8 8,-2.9 5,-0.0 2,-0.4 -0.965 58.0 -86.7 167.5-178.5 129.9 32.5 -18.0 37 40 A R E -A 43 0A 130 -2,-0.3 136,-0.1 6,-0.2 5,-0.1 -0.958 40.5-119.8-118.4 141.5 132.2 29.7 -16.9 38 41 A S > - 0 0 7 4,-3.3 3,-1.9 -2,-0.4 6,-0.1 -0.050 37.8 -92.0 -69.5 175.4 132.6 28.6 -13.4 39 42 A Y T 3 S+ 0 0 122 1,-0.3 -1,-0.1 2,-0.1 90,-0.0 0.897 131.6 45.0 -56.2 -40.7 135.9 28.6 -11.5 40 43 A E T 3 S- 0 0 92 2,-0.0 -1,-0.3 1,-0.0 -2,-0.1 0.225 127.2 -99.7 -93.1 14.1 136.5 25.0 -12.7 41 44 A G S < S+ 0 0 34 -3,-1.9 -2,-0.1 1,-0.3 3,-0.0 0.501 71.8 146.1 88.9 6.6 135.4 25.8 -16.2 42 45 A R - 0 0 74 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.3 -0.532 55.3-107.5 -72.9 138.1 131.9 24.5 -16.2 43 46 A P E -A 37 0A 23 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.419 24.5-138.5 -66.4 144.4 129.4 26.4 -18.3 44 47 A I E -A 36 0A 0 -8,-2.9 -9,-2.4 -2,-0.1 -8,-0.8 -0.931 26.2-160.7-105.1 112.1 126.9 28.5 -16.3 45 48 A Y E -A 34 0A 33 -2,-0.6 62,-0.4 62,-0.3 2,-0.4 -0.805 17.2-173.2-107.3 136.5 123.5 28.2 -18.0 46 49 A V E -A 33 0A 0 -13,-3.0 -13,-3.0 -2,-0.4 2,-0.6 -0.981 20.1-138.9-118.4 131.4 120.3 30.3 -17.8 47 50 A L E -AB 32 104A 0 57,-3.4 57,-2.8 -2,-0.4 2,-0.5 -0.828 15.3-153.3 -89.4 122.5 117.1 29.2 -19.4 48 51 A K E -AB 31 103A 64 -17,-3.1 -17,-2.0 -2,-0.6 2,-0.5 -0.862 7.3-167.3 -96.3 124.2 115.2 32.0 -21.1 49 52 A F E +AB 30 102A 0 53,-2.8 53,-2.6 -2,-0.5 2,-0.3 -0.973 27.9 146.5-111.8 118.1 111.4 31.6 -21.4 50 53 A S - 0 0 15 -21,-2.8 51,-0.1 -2,-0.5 3,-0.1 -0.997 47.6-158.6-154.1 148.0 110.0 34.2 -23.8 51 54 A T S S- 0 0 47 46,-0.6 2,-0.3 1,-0.4 -22,-0.1 0.094 70.7 -84.7-113.0 17.5 107.2 34.7 -26.4 52 55 A G S S+ 0 0 32 -23,-0.1 -1,-0.4 1,-0.1 4,-0.2 -0.869 73.3 121.9 121.5-150.0 109.1 37.5 -28.1 53 56 A G - 0 0 56 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.123 63.0 -93.0 75.0 177.9 109.5 41.3 -27.6 54 57 A S S S- 0 0 117 1,-0.1 -1,-0.1 -2,-0.0 0, 0.0 -0.998 97.2 -11.0-130.3 129.8 112.8 43.0 -27.0 55 58 A N S S- 0 0 84 -2,-0.4 3,-0.1 1,-0.1 -1,-0.1 0.841 87.2-172.3 51.1 39.0 114.1 43.6 -23.5 56 59 A R - 0 0 61 -4,-0.2 45,-0.2 1,-0.1 44,-0.1 -0.248 39.5 -82.2 -58.7 147.9 110.7 42.6 -22.1 57 60 A P - 0 0 46 0, 0.0 44,-1.7 0, 0.0 2,-0.3 -0.320 64.8-148.0 -52.5 132.8 110.2 43.2 -18.3 58 61 A A E -cd 101 184A 0 125,-2.5 127,-3.2 42,-0.2 128,-1.5 -0.777 24.1-147.6-123.4 152.1 111.8 40.1 -16.7 59 62 A I E -cd 102 186A 0 42,-2.5 44,-3.6 -2,-0.3 2,-0.5 -0.975 18.4-155.9-112.2 125.6 111.7 37.7 -13.8 60 63 A W E -cd 103 187A 0 126,-3.1 128,-3.5 -2,-0.5 2,-0.4 -0.902 11.9-179.1-101.9 127.7 115.0 36.2 -12.5 61 64 A I E -cd 104 188A 0 42,-3.1 44,-3.1 -2,-0.5 2,-0.4 -0.980 2.2-175.5-126.7 120.8 114.9 32.9 -10.7 62 65 A D E +cd 105 189A 0 126,-3.0 128,-3.6 -2,-0.4 2,-0.3 -0.952 3.4 177.1-119.4 136.7 118.1 31.3 -9.3 63 66 A L E + d 0 190A 0 42,-2.6 45,-2.4 -2,-0.4 46,-0.2 -0.868 58.4 28.9-129.4 157.4 118.5 28.0 -7.6 64 67 A G + 0 0 0 126,-0.7 45,-1.5 5,-0.3 49,-0.1 0.829 59.3 140.7 59.1 37.2 121.5 26.0 -6.2 65 68 A I S S+ 0 0 0 125,-0.5 2,-0.6 1,-0.2 73,-0.4 0.825 78.5 49.9 -69.0 -32.4 123.7 28.9 -5.3 66 69 A H S > S- 0 0 1 1,-0.1 3,-2.0 3,-0.1 -1,-0.2 -0.949 91.0-148.0-107.4 112.1 124.5 26.8 -2.3 67 70 A S T 3 S+ 0 0 0 57,-1.1 57,-0.2 -2,-0.6 6,-0.1 0.762 87.9 58.3 -62.8 -35.9 125.4 23.4 -3.7 68 71 A R T 3 S+ 0 0 3 55,-1.4 2,-2.1 1,-0.2 -1,-0.3 0.573 80.0 92.6 -68.9 -11.5 124.2 21.1 -1.0 69 72 A E X> + 0 0 0 -3,-2.0 3,-1.8 1,-0.2 4,-0.6 -0.425 51.8 164.9 -85.8 66.1 120.6 22.5 -1.2 70 73 A W H 3> + 0 0 31 -2,-2.1 4,-2.2 204,-0.4 5,-0.2 0.707 62.7 68.7 -58.9 -32.0 119.6 19.7 -3.7 71 74 A I H 3> S+ 0 0 1 203,-0.2 4,-2.6 -3,-0.2 -1,-0.3 0.855 97.9 56.5 -54.9 -33.3 115.9 20.3 -3.5 72 75 A T H <> S+ 0 0 0 -3,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.895 107.0 43.5 -70.0 -42.7 116.5 23.6 -5.2 73 76 A Q H X S+ 0 0 1 -4,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.924 116.5 49.3 -70.3 -41.5 118.2 22.3 -8.3 74 77 A A H X S+ 0 0 11 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.892 110.8 49.2 -60.4 -45.6 115.6 19.6 -8.6 75 78 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.820 108.9 54.5 -58.4 -35.3 112.7 22.1 -8.1 76 79 A G H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.855 106.4 50.8 -71.8 -34.7 114.4 24.2 -10.9 77 80 A V H X S+ 0 0 2 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.930 112.9 45.6 -65.2 -46.0 114.3 21.3 -13.2 78 81 A W H X S+ 0 0 31 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.905 109.9 55.0 -64.2 -45.1 110.6 20.7 -12.5 79 82 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.895 104.6 54.6 -51.2 -47.3 109.9 24.5 -12.9 80 83 A A H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.933 112.9 41.1 -56.9 -50.2 111.5 24.4 -16.4 81 84 A K H >X S+ 0 0 17 -4,-1.6 4,-2.0 1,-0.2 3,-0.7 0.956 112.8 55.3 -59.7 -53.9 109.2 21.6 -17.5 82 85 A K H 3X S+ 0 0 53 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.863 102.7 56.3 -45.3 -47.1 106.2 23.2 -15.8 83 86 A F H 3X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.893 111.1 43.4 -55.7 -42.0 106.7 26.5 -17.6 84 87 A T H << S+ 0 0 12 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.770 114.9 50.2 -76.4 -28.3 106.5 24.6 -21.0 85 88 A E H < S+ 0 0 94 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.841 116.8 40.2 -71.4 -38.2 103.5 22.5 -19.8 86 89 A D H >X S+ 0 0 26 -4,-2.6 4,-2.2 -5,-0.2 3,-1.8 0.622 84.8 102.8 -95.2 -18.2 101.5 25.5 -18.5 87 90 A Y T 3< S+ 0 0 70 -4,-1.4 7,-0.0 1,-0.3 -58,-0.0 -0.560 97.3 12.5 -68.7 128.6 102.2 28.2 -21.2 88 91 A G T 34 S+ 0 0 50 2,-0.4 -1,-0.3 -2,-0.3 -2,-0.1 0.489 128.8 60.3 80.0 4.4 99.0 28.4 -23.4 89 92 A Q T <4 S+ 0 0 154 -3,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.610 92.3 57.2-121.4 -59.4 97.0 26.3 -20.9 90 93 A D S X S- 0 0 52 -4,-2.2 4,-2.6 1,-0.2 -2,-0.4 -0.687 72.6-152.0 -76.9 118.8 97.0 28.2 -17.6 91 94 A P H > S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.891 91.8 49.0 -59.9 -41.1 95.5 31.7 -18.4 92 95 A S H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.945 115.4 41.4 -65.4 -50.3 97.4 33.5 -15.6 93 96 A F H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.862 113.4 55.1 -65.2 -38.2 100.9 32.1 -16.4 94 97 A T H X S+ 0 0 24 -4,-2.6 4,-1.5 -8,-0.3 -1,-0.2 0.913 107.3 50.1 -58.3 -43.2 100.1 32.6 -20.1 95 98 A A H X S+ 0 0 52 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.895 109.9 51.7 -62.6 -41.7 99.4 36.2 -19.4 96 99 A I H >X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 3,-0.8 0.949 112.6 43.5 -55.5 -54.2 102.7 36.5 -17.5 97 100 A L H 3< S+ 0 0 0 -4,-2.4 -46,-0.6 1,-0.3 -1,-0.2 0.640 108.3 58.2 -74.7 -17.3 104.8 35.0 -20.3 98 101 A D H 3< S+ 0 0 66 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.725 121.5 28.0 -79.1 -23.2 103.0 37.1 -23.0 99 102 A S H << S+ 0 0 69 -4,-1.0 2,-0.3 -3,-0.8 -2,-0.2 0.608 126.0 37.0-106.2 -20.2 104.1 40.3 -21.2 100 103 A M < - 0 0 7 -4,-2.0 2,-0.3 -5,-0.1 -49,-0.2 -0.908 66.2-129.2-137.8 155.3 107.3 39.2 -19.5 101 104 A D E - c 0 58A 3 -44,-1.7 -42,-2.5 -2,-0.3 2,-0.5 -0.827 19.7-146.4-100.6 147.0 110.4 37.0 -19.9 102 105 A I E -Bc 49 59A 0 -53,-2.6 -53,-2.8 -2,-0.3 2,-0.6 -0.968 6.7-163.8-116.1 126.6 111.5 34.5 -17.3 103 106 A F E -Bc 48 60A 3 -44,-3.6 -42,-3.1 -2,-0.5 2,-0.6 -0.938 10.2-172.2-109.5 115.6 115.2 33.7 -16.7 104 107 A L E -Bc 47 61A 0 -57,-2.8 -57,-3.4 -2,-0.6 2,-0.7 -0.935 12.3-172.1-115.1 113.1 115.8 30.5 -14.8 105 108 A E E - c 0 62A 0 -44,-3.1 -42,-2.6 -2,-0.6 3,-0.4 -0.882 6.3-179.6-101.9 101.8 119.2 29.5 -13.5 106 109 A I S S+ 0 0 0 -2,-0.7 2,-0.5 -61,-0.3 -30,-0.2 0.846 76.5 30.8 -70.3 -41.1 118.9 26.0 -12.2 107 110 A V + 0 0 2 -62,-0.4 -62,-0.3 1,-0.1 -1,-0.3 -0.769 62.7 169.0-125.3 87.4 122.5 25.4 -11.1 108 111 A T S S+ 0 0 2 -45,-2.4 -43,-0.2 -2,-0.5 -44,-0.2 0.763 81.0 38.4 -70.0 -25.0 123.9 28.7 -10.0 109 112 A N > + 0 0 0 -45,-1.5 4,-1.8 -46,-0.2 -1,-0.3 -0.709 66.7 166.4-128.0 75.3 127.0 27.0 -8.4 110 113 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.805 74.2 55.1 -64.3 -32.1 128.0 24.1 -10.7 111 114 A D H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.957 111.8 43.6 -67.1 -48.9 131.5 23.5 -9.2 112 115 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.865 113.2 53.4 -58.7 -37.1 130.0 23.0 -5.7 113 116 A F H X S+ 0 0 3 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.928 108.0 49.0 -67.9 -46.6 127.2 20.9 -7.2 114 117 A A H >X S+ 0 0 20 -4,-2.7 4,-1.8 1,-0.2 3,-0.7 0.924 111.1 52.1 -52.3 -45.8 129.8 18.7 -8.9 115 118 A F H 3X>S+ 0 0 40 -4,-2.4 5,-2.6 1,-0.2 4,-2.2 0.811 103.2 56.7 -62.7 -34.3 131.5 18.4 -5.5 116 119 A T H 3<5S+ 0 0 1 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.750 110.5 45.1 -73.1 -24.9 128.3 17.4 -3.7 117 120 A H H <<5S+ 0 0 59 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.830 127.2 26.1 -79.9 -36.9 128.0 14.4 -6.1 118 121 A S H <5S+ 0 0 85 -4,-1.8 -2,-0.2 2,-0.1 -3,-0.2 0.875 135.5 2.3 -98.1 -46.9 131.6 13.3 -5.9 119 122 A Q T <5S+ 0 0 131 -4,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.820 124.8 18.8-113.5 -46.6 133.3 14.4 -2.6 120 123 A N > < - 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