==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(C-TERMINAL PEPTIDASE) 31-OCT-91 1CBX . COMPND 2 MOLECULE: CARBOXYPEPTIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.MANGANI,P.CARLONI,P.ORIOLI . 307 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.5 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 . 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 . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 30.9 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 2 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 0 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 1 A A 0 0 93 0, 0.0 6,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -50.8 -17.2 4.1 4.5 2 2 A R + 0 0 234 1,-0.2 2,-0.3 2,-0.0 3,-0.0 0.728 360.0 4.6 -95.8 -30.4 -19.3 1.1 3.4 3 3 A S S >> S- 0 0 31 1,-0.1 3,-1.1 25,-0.0 4,-0.8 -0.930 76.9-108.3-146.7 163.6 -20.9 2.7 0.4 4 4 A T T 34 S+ 0 0 0 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.817 121.0 63.6 -63.2 -20.5 -20.5 6.1 -1.4 5 5 A N T 34 S+ 0 0 113 1,-0.3 -1,-0.2 3,-0.1 79,-0.0 0.650 106.0 42.1 -78.9 -8.0 -24.0 6.7 0.2 6 6 A T T <4 S+ 0 0 90 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.504 87.3 113.3-114.9 -17.6 -22.6 6.5 3.6 7 7 A F S < S- 0 0 20 -4,-0.8 2,-1.1 -3,-0.4 3,-0.1 -0.276 71.1-123.1 -60.9 134.8 -19.4 8.4 2.9 8 8 A N > - 0 0 90 1,-0.2 3,-1.3 2,-0.0 -1,-0.1 -0.677 28.7-179.8 -85.8 101.5 -19.4 11.8 4.8 9 9 A Y T 3 S+ 0 0 36 -2,-1.1 -1,-0.2 1,-0.3 72,-0.1 0.549 71.2 70.5 -79.5 -6.5 -19.0 14.5 2.4 10 10 A A T 3 S+ 0 0 46 276,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.257 92.7 61.9-109.2 25.0 -19.1 17.1 5.0 11 11 A T S < S- 0 0 52 -3,-1.3 2,-0.4 66,-0.1 0, 0.0 -0.811 85.7-103.5-137.2 166.1 -15.8 16.4 6.5 12 12 A Y - 0 0 44 -2,-0.3 2,-0.2 65,-0.0 -2,-0.1 -0.845 40.4-159.0 -90.2 139.4 -12.1 16.4 5.3 13 13 A H - 0 0 26 -2,-0.4 2,-0.2 -4,-0.1 63,-0.0 -0.657 12.7-115.3-113.8 168.7 -10.6 12.9 4.7 14 14 A T > - 0 0 46 -2,-0.2 4,-2.5 1,-0.0 5,-0.2 -0.513 40.7 -92.7 -93.8 177.8 -7.2 11.4 4.5 15 15 A L H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.836 123.4 47.7 -54.1 -52.0 -5.5 9.8 1.4 16 16 A D H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.899 110.9 53.4 -66.0 -37.1 -6.7 6.2 2.1 17 17 A E H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.882 111.0 45.3 -60.7 -43.3 -10.2 7.3 2.7 18 18 A I H X S+ 0 0 4 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.809 114.3 47.8 -62.3 -47.0 -10.3 9.1 -0.6 19 19 A Y H X S+ 0 0 25 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.821 111.3 50.7 -61.4 -43.2 -8.7 6.2 -2.5 20 20 A D H X S+ 0 0 106 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.882 105.8 56.8 -64.7 -35.7 -11.1 3.7 -0.9 21 21 A F H X S+ 0 0 2 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.893 102.3 56.3 -55.3 -48.1 -14.0 5.9 -1.9 22 22 A M H X S+ 0 0 1 -4,-1.3 4,-1.4 1,-0.3 -1,-0.2 0.898 107.8 48.0 -55.9 -43.9 -12.8 5.7 -5.5 23 23 A D H X S+ 0 0 72 -4,-1.3 4,-2.1 1,-0.2 -1,-0.3 0.830 109.5 52.4 -69.3 -35.9 -13.0 2.0 -5.3 24 24 A L H X S+ 0 0 42 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.913 109.3 47.7 -55.1 -59.7 -16.5 2.1 -3.9 25 25 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.789 111.4 51.6 -49.5 -41.4 -17.9 4.3 -6.5 26 26 A V H < S+ 0 0 34 -4,-1.4 3,-0.2 2,-0.2 7,-0.2 0.892 110.3 50.7 -68.2 -42.5 -16.3 2.1 -9.3 27 27 A A H < S+ 0 0 74 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.895 112.9 44.1 -60.1 -42.9 -17.9 -0.8 -7.7 28 28 A E H < S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.723 127.0 28.5 -75.1 -21.4 -21.4 1.0 -7.6 29 29 A H >X + 0 0 52 -4,-1.5 4,-3.1 -3,-0.2 3,-2.8 -0.405 65.1 157.2-139.1 58.4 -21.2 2.2 -11.1 30 30 A P T 34 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.819 76.9 53.4 -53.0 -19.9 -19.1 0.0 -13.2 31 31 A Q T 34 S+ 0 0 174 1,-0.2 3,-0.1 -3,-0.1 -5,-0.1 0.584 117.9 35.5 -92.1 -12.2 -20.7 1.1 -16.4 32 32 A L T <4 S+ 0 0 22 -3,-2.8 21,-2.5 1,-0.2 2,-0.4 0.725 114.5 43.7-107.7 -33.6 -20.1 4.7 -15.7 33 33 A V E < -A 52 0A 1 -4,-3.1 2,-0.4 19,-0.2 -1,-0.2 -0.956 51.8-176.9-136.5 134.8 -16.8 5.0 -14.0 34 34 A S E -A 51 0A 54 17,-2.7 17,-2.5 -2,-0.4 2,-0.6 -0.938 22.7-132.0-119.9 149.2 -13.4 3.5 -14.3 35 35 A K E -A 50 0A 59 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.904 24.5-170.6 -97.9 119.4 -10.4 4.0 -12.3 36 36 A L E -A 49 0A 57 13,-2.8 13,-2.3 -2,-0.6 2,-0.6 -0.761 16.7-150.7-111.3 140.4 -7.1 4.7 -14.2 37 37 A Q E +A 48 0A 105 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.927 17.9 173.8 -96.9 102.9 -3.5 4.8 -12.8 38 38 A I E - 0 0 30 9,-2.2 2,-0.3 -2,-0.6 10,-0.1 0.346 62.5 -41.3 -93.8 -4.4 -1.6 7.3 -14.9 39 39 A G E -A 47 0A 18 8,-0.9 8,-2.4 5,-0.0 2,-0.4 -0.991 58.0 -89.2 171.0-171.9 1.6 7.1 -12.7 40 40 A R E -A 46 0A 152 -2,-0.3 138,-0.1 6,-0.3 5,-0.1 -0.987 38.9-116.4-134.3 146.8 3.1 7.0 -9.4 41 41 A S > - 0 0 4 4,-3.4 3,-2.5 -2,-0.4 6,-0.1 -0.150 39.9 -89.0 -81.2 173.4 4.2 9.8 -7.2 42 42 A Y T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 90,-0.0 0.856 131.5 42.7 -50.4 -43.5 7.6 10.7 -6.1 43 43 A E T 3 S- 0 0 97 2,-0.1 -1,-0.3 88,-0.0 -2,-0.1 0.136 127.7 -98.2 -93.6 15.1 7.3 8.5 -3.0 44 44 A G S < S+ 0 0 25 -3,-2.5 -2,-0.1 1,-0.3 3,-0.0 0.389 71.7 147.3 86.8 17.2 5.6 5.7 -5.0 45 45 A R - 0 0 74 -5,-0.1 -4,-3.4 1,-0.1 -1,-0.3 -0.602 53.7-107.2 -78.5 144.7 1.9 6.4 -4.3 46 46 A P E -A 40 0A 34 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.365 26.2-140.1 -70.1 152.1 -0.4 5.5 -7.2 47 47 A I E -A 39 0A 0 -8,-2.4 -9,-2.2 -6,-0.1 -8,-0.9 -0.980 23.1-159.8-117.7 134.4 -1.9 8.5 -9.1 48 48 A Y E -A 37 0A 39 -2,-0.5 62,-0.5 -11,-0.2 61,-0.4 -0.895 18.8-174.5-123.5 140.1 -5.5 8.0 -10.1 49 49 A V E -A 36 0A 0 -13,-2.3 -13,-2.8 -2,-0.4 2,-0.5 -0.871 19.4-141.9-125.1 134.5 -7.9 9.5 -12.5 50 50 A L E -AB 35 107A 0 57,-3.2 57,-2.6 -2,-0.3 2,-0.6 -0.930 13.4-156.9 -94.2 134.4 -11.6 8.6 -12.6 51 51 A K E -AB 34 106A 58 -17,-2.5 -17,-2.7 -2,-0.5 2,-0.6 -0.930 4.1-164.9-114.4 123.9 -13.0 8.4 -16.0 52 52 A F E +AB 33 105A 0 53,-2.7 53,-3.1 -2,-0.6 2,-0.3 -0.954 25.9 153.0-106.2 123.7 -16.7 8.8 -16.3 53 53 A S - 0 0 17 -21,-2.5 51,-0.1 -2,-0.6 3,-0.1 -0.964 44.5-157.3-155.0 144.4 -18.0 7.6 -19.8 54 54 A T S S- 0 0 47 46,-0.6 2,-0.3 1,-0.4 47,-0.1 0.274 70.3 -86.6-101.6 2.2 -21.2 6.2 -21.3 55 55 A G S S+ 0 0 30 -23,-0.1 -1,-0.4 1,-0.1 4,-0.2 -0.906 70.1 119.7 133.0-153.2 -19.1 4.6 -24.2 56 56 A G - 0 0 58 -2,-0.3 3,-0.1 -3,-0.1 -1,-0.1 -0.117 63.5 -71.5 80.9 177.8 -17.8 5.5 -27.5 57 57 A S S S- 0 0 127 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.993 97.3 -32.8 -79.6 -92.1 -14.4 5.7 -29.2 58 58 A N S S- 0 0 75 129,-0.0 -1,-0.2 130,-0.0 3,-0.1 -0.777 79.7-168.4-137.2 73.6 -12.2 8.5 -28.1 59 59 A R - 0 0 63 -2,-0.3 45,-0.2 -4,-0.2 129,-0.1 -0.577 34.7 -86.8 -66.0 157.6 -14.8 11.0 -27.4 60 60 A P - 0 0 43 0, 0.0 44,-1.9 0, 0.0 2,-0.3 -0.107 59.8-156.7 -57.7 142.6 -13.9 14.5 -26.7 61 61 A A E -cd 104 189A 0 127,-2.0 129,-2.9 42,-0.2 130,-1.2 -0.904 21.4-132.8-133.9 169.6 -13.2 14.8 -23.1 62 62 A I E -cd 105 191A 0 42,-1.9 44,-3.8 -2,-0.3 2,-0.5 -0.972 20.1-152.1-119.2 127.4 -13.1 17.2 -20.1 63 63 A W E +cd 106 192A 0 128,-2.6 130,-2.0 -2,-0.5 2,-0.4 -0.801 14.8 179.9-100.4 135.5 -10.1 17.1 -17.8 64 64 A I E -cd 107 193A 0 42,-2.7 44,-3.2 -2,-0.5 2,-0.4 -0.933 2.3-175.1-129.8 127.5 -10.5 18.2 -14.1 65 65 A D E -cd 108 194A 2 128,-2.4 130,-3.0 -2,-0.4 2,-0.3 -0.905 1.9-178.8-121.6 146.5 -7.7 18.2 -11.6 66 66 A L + 0 0 0 42,-2.3 45,-1.9 -2,-0.4 46,-0.2 -0.863 60.2 26.5-133.2 147.4 -7.9 19.0 -7.8 67 67 A G + 0 0 0 128,-0.4 45,-0.7 -2,-0.3 129,-0.1 0.595 58.1 140.9 74.7 22.6 -5.4 19.2 -5.2 68 68 A I S S+ 0 0 3 127,-0.5 2,-0.6 43,-0.2 75,-0.3 0.841 79.7 50.6 -54.0 -42.9 -2.2 20.1 -7.1 69 69 A H S > S- 0 0 3 1,-0.1 3,-1.7 3,-0.1 59,-0.2 -0.932 90.6-150.0 -99.8 102.5 -1.3 22.4 -4.1 70 70 A S T 3 S+ 0 0 0 57,-0.7 57,-0.2 -2,-0.6 6,-0.1 0.818 86.7 59.9 -57.4 -30.2 -1.8 19.9 -1.2 71 71 A R T 3 S+ 0 0 39 55,-0.7 2,-2.1 1,-0.2 -1,-0.3 0.589 78.3 90.2 -79.3 -8.8 -2.8 22.3 1.5 72 72 A E X> + 0 0 5 -3,-1.7 3,-2.1 1,-0.2 4,-0.6 -0.421 53.6 168.9 -79.7 59.9 -5.9 23.5 -0.4 73 73 A W H 3> + 0 0 30 -2,-2.1 4,-1.8 206,-0.5 3,-0.4 0.712 62.2 70.8 -55.2 -27.6 -8.0 20.8 1.2 74 74 A I H 3> S+ 0 0 3 205,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.776 95.3 57.0 -62.5 -20.5 -11.3 22.3 -0.0 75 75 A T H <> S+ 0 0 0 -3,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.891 104.7 46.5 -74.1 -48.0 -10.4 21.2 -3.5 76 76 A Q H X S+ 0 0 2 -4,-0.6 4,-2.5 -3,-0.4 5,-0.2 0.896 113.2 53.4 -65.1 -33.8 -9.9 17.5 -2.8 77 77 A A H X S+ 0 0 15 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.954 109.4 46.5 -62.9 -46.8 -13.2 17.6 -0.9 78 78 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.811 108.3 58.9 -61.5 -30.6 -15.0 19.1 -3.8 79 79 A G H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.920 104.0 48.7 -70.6 -46.1 -13.5 16.5 -6.0 80 80 A V H X S+ 0 0 4 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.902 112.5 50.1 -58.4 -41.5 -14.9 13.7 -4.0 81 81 A W H X S+ 0 0 28 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.876 106.7 53.2 -62.3 -39.2 -18.2 15.4 -4.2 82 82 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.870 104.3 57.1 -61.7 -48.2 -18.1 15.9 -7.9 83 83 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.928 111.4 41.6 -48.2 -53.0 -17.4 12.2 -8.4 84 84 A K H X S+ 0 0 12 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.963 111.9 56.1 -61.4 -39.4 -20.6 11.2 -6.6 85 85 A K H X S+ 0 0 41 -4,-2.5 4,-2.8 1,-0.3 5,-0.2 0.878 102.4 54.7 -69.9 -26.3 -22.6 14.0 -8.2 86 86 A F H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.3 -1,-0.3 0.951 110.7 47.4 -73.7 -31.6 -21.7 12.8 -11.7 87 87 A T H < S+ 0 0 15 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.872 115.1 45.7 -77.9 -30.6 -23.0 9.5 -10.7 88 88 A E H < S+ 0 0 97 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.896 112.6 47.3 -71.0 -43.1 -26.1 11.0 -9.2 89 89 A N H >X S+ 0 0 25 -4,-2.8 4,-2.6 -5,-0.1 3,-1.7 0.580 79.2 109.6 -79.8 -15.6 -27.0 13.4 -12.0 90 90 A Y T 3< S+ 0 0 69 -4,-1.3 5,-0.0 1,-0.3 -4,-0.0 -0.504 96.5 4.2 -71.0 129.4 -26.7 11.2 -14.9 91 91 A G T 34 S+ 0 0 48 -2,-0.4 -1,-0.3 2,-0.3 -2,-0.1 0.370 128.3 67.0 74.9 -6.1 -30.2 10.4 -16.3 92 92 A Q T <4 S+ 0 0 149 -3,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.794 95.0 51.6-102.7 -48.4 -31.8 12.9 -13.7 93 93 A N S X S- 0 0 48 -4,-2.6 4,-2.5 1,-0.1 -2,-0.3 -0.796 71.6-153.4 -96.4 113.8 -30.3 16.2 -15.0 94 94 A P H > S+ 0 0 100 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.750 92.9 48.7 -55.1 -33.9 -31.0 16.7 -18.7 95 95 A S H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.1 -5,-0.0 0.911 112.2 44.0 -70.8 -50.8 -28.0 18.9 -19.1 96 96 A F H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 5,-0.3 0.922 114.0 53.8 -59.9 -44.5 -25.5 16.8 -17.3 97 97 A T H X S+ 0 0 24 -4,-2.5 4,-1.5 -8,-0.3 -2,-0.2 0.898 104.5 53.1 -59.1 -37.5 -26.9 13.7 -19.2 98 98 A A H < S+ 0 0 53 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.839 110.2 52.3 -60.5 -39.1 -26.5 15.4 -22.7 99 99 A I H >X S+ 0 0 1 -4,-1.8 3,-2.3 1,-0.2 4,-1.5 0.968 111.8 40.7 -62.1 -60.7 -22.8 16.0 -21.7 100 100 A L H 3< S+ 0 0 0 -4,-2.2 -46,-0.6 1,-0.3 -1,-0.2 0.650 106.3 63.9 -65.6 -26.0 -21.9 12.5 -20.7 101 101 A D T 3< S+ 0 0 67 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.610 120.2 24.5 -62.2 -21.0 -23.8 11.0 -23.6 102 102 A S T <4 S+ 0 0 65 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.439 125.0 34.5-126.8 -12.5 -21.3 12.8 -25.9 103 103 A M < - 0 0 5 -4,-1.5 2,-0.3 -44,-0.1 -1,-0.3 -0.976 67.0-126.7-142.7 160.3 -18.1 13.4 -23.8 104 104 A D E - c 0 61A 4 -44,-1.9 -42,-1.9 -2,-0.3 2,-0.4 -0.763 18.0-140.3-101.4 155.3 -16.0 11.7 -21.2 105 105 A I E -Bc 52 62A 0 -53,-3.1 -53,-2.7 -2,-0.3 2,-0.5 -0.971 8.5-163.1-124.2 126.1 -14.9 13.3 -18.0 106 106 A F E -Bc 51 63A 2 -44,-3.8 -42,-2.7 -2,-0.4 2,-0.5 -0.974 12.8-173.4-110.1 116.9 -11.5 12.7 -16.5 107 107 A L E -Bc 50 64A 0 -57,-2.6 -57,-3.2 -2,-0.5 2,-0.7 -0.981 14.5-170.8-118.5 118.1 -11.2 13.7 -12.8 108 108 A E E + c 0 65A 0 -44,-3.2 -42,-2.3 -2,-0.5 3,-0.3 -0.862 7.4 180.0-104.9 102.3 -8.1 13.7 -10.8 109 109 A I S S+ 0 0 0 -2,-0.7 2,-0.6 -61,-0.4 -30,-0.2 0.894 76.4 30.0 -74.0 -44.0 -9.0 14.2 -7.1 110 110 A V + 0 0 3 -62,-0.5 -1,-0.3 1,-0.2 -62,-0.2 -0.816 64.4 171.4-126.5 91.5 -5.6 14.2 -5.5 111 111 A T S S+ 0 0 3 -45,-1.9 -43,-0.2 -2,-0.6 -44,-0.2 0.848 80.3 38.5 -65.9 -25.3 -3.2 15.5 -8.0 112 112 A N > + 0 0 1 -45,-0.7 4,-2.2 -46,-0.2 3,-0.3 -0.620 65.6 168.0-136.9 68.8 -0.5 15.6 -5.4 113 113 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.794 74.7 52.8 -49.0 -50.2 -0.7 12.6 -3.2 114 114 A N H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.894 112.4 41.9 -63.6 -45.8 2.7 13.0 -1.5 115 115 A G H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.825 113.2 57.2 -73.8 -25.3 2.2 16.5 -0.4 116 116 A F H X S+ 0 0 4 -4,-2.2 4,-0.6 2,-0.2 3,-0.3 0.974 106.8 47.3 -62.6 -45.1 -1.4 15.6 0.6 117 117 A A H >X S+ 0 0 20 -4,-2.9 4,-2.2 1,-0.2 3,-0.8 0.825 111.7 53.1 -60.1 -34.4 -0.2 12.8 2.9 118 118 A F H 3X>S+ 0 0 41 -4,-1.0 4,-2.9 -5,-0.3 5,-2.6 0.891 99.9 57.8 -79.1 -41.3 2.3 15.3 4.4 119 119 A T H 3<5S+ 0 0 4 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.594 115.8 39.3 -54.4 -27.5 -0.3 18.0 5.1 120 120 A H H <<5S+ 0 0 71 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.677 124.1 41.8 -90.7 -34.1 -2.1 15.3 7.3 121 121 A S H <5S- 0 0 75 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.921 134.2 -15.0 -80.7 -56.8 1.2 13.9 8.6 122 122 A E T <5S+ 0 0 146 -4,-2.9 2,-0.4 -5,-0.2 -3,-0.2 0.632 123.5 24.7-128.6 -47.3 3.5 16.7 9.4 123 123 A N > < - 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