==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (C-TERMINAL PEPTIDASE) 24-MAR-82 3CPA . COMPND 2 MOLECULE: CARBOXYPEPTIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR W.N.LIPSCOMB . 309 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.4 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 . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 30.4 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 2 0 1 0 0 0 1 1 0 0 1 0 1 1 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 . 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 94 0, 0.0 6,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -63.2 -17.2 4.0 4.6 2 2 A R + 0 0 236 1,-0.2 2,-0.3 22,-0.0 3,-0.0 0.792 360.0 4.4 -93.5 -20.6 -19.2 1.0 3.3 3 3 A S S >> S- 0 0 29 1,-0.1 4,-1.3 25,-0.0 3,-0.7 -0.935 73.7-107.2-148.1 170.1 -20.8 2.9 0.4 4 4 A T T 34 S+ 0 0 0 -2,-0.3 -1,-0.1 1,-0.2 80,-0.0 0.712 122.0 56.4 -65.1 -19.3 -20.7 6.2 -1.4 5 5 A N T 34 S+ 0 0 114 1,-0.2 -1,-0.2 3,-0.1 79,-0.0 0.656 110.7 44.2 -86.4 -14.0 -24.1 6.9 0.1 6 6 A T T <4 S+ 0 0 90 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.549 88.0 106.7 -97.8 -26.0 -22.6 6.3 3.5 7 7 A F S < S- 0 0 18 -4,-1.3 2,-0.9 -6,-0.1 3,-0.0 -0.405 75.3-121.8 -57.9 136.2 -19.4 8.3 3.0 8 8 A N > + 0 0 87 1,-0.2 3,-0.9 -2,-0.1 -1,-0.1 -0.698 30.8 177.3 -89.3 106.5 -19.4 11.7 4.8 9 9 A Y T 3 S+ 0 0 37 -2,-0.9 -1,-0.2 1,-0.3 72,-0.1 0.466 73.4 73.3 -85.3 -5.6 -18.9 14.4 2.3 10 10 A A T 3 S+ 0 0 50 276,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.239 94.7 56.1 -96.9 17.8 -19.2 17.0 5.1 11 11 A T S < S- 0 0 52 -3,-0.9 2,-0.3 66,-0.1 273,-0.0 -0.922 87.1-104.2-141.3 162.6 -15.7 16.2 6.5 12 12 A Y - 0 0 42 -2,-0.3 2,-0.3 1,-0.0 -2,-0.1 -0.658 39.5-155.7 -88.7 148.1 -12.1 16.2 5.3 13 13 A H - 0 0 35 -2,-0.3 2,-0.1 60,-0.1 63,-0.0 -0.765 11.7-114.9-122.9 161.7 -10.6 12.8 4.6 14 14 A T > - 0 0 46 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.340 41.4 -96.1 -87.8 176.8 -7.1 11.2 4.4 15 15 A L H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.863 122.1 54.5 -57.3 -45.5 -5.6 9.7 1.3 16 16 A D H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.921 108.7 48.1 -62.1 -39.4 -6.7 6.1 2.2 17 17 A E H > S+ 0 0 84 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.869 111.5 49.8 -70.2 -41.0 -10.3 7.1 2.5 18 18 A I H X S+ 0 0 4 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.875 113.2 45.9 -64.4 -40.4 -10.3 9.0 -0.7 19 19 A Y H X S+ 0 0 27 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.845 113.1 49.4 -65.1 -42.3 -8.7 6.1 -2.5 20 20 A D H X S+ 0 0 103 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.926 107.7 56.3 -64.8 -41.7 -11.1 3.6 -0.9 21 21 A F H X S+ 0 0 2 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.883 102.1 55.4 -50.9 -44.2 -13.9 6.0 -2.0 22 22 A M H X S+ 0 0 2 -4,-1.5 4,-2.0 1,-0.3 -1,-0.2 0.939 109.0 48.5 -61.6 -44.6 -12.7 5.7 -5.6 23 23 A D H X S+ 0 0 73 -4,-1.7 4,-2.0 2,-0.2 -1,-0.3 0.822 108.4 52.0 -57.4 -48.4 -13.1 1.9 -5.2 24 24 A L H X S+ 0 0 40 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.971 110.9 49.2 -56.3 -46.7 -16.6 2.2 -3.8 25 25 A L H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.3 -2,-0.2 0.793 111.1 47.7 -63.2 -43.2 -17.7 4.4 -6.7 26 26 A V H < S+ 0 0 35 -4,-2.0 -1,-0.3 2,-0.2 7,-0.2 0.841 112.6 49.2 -65.5 -42.0 -16.3 2.1 -9.4 27 27 A A H < S+ 0 0 81 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.892 113.7 47.3 -63.4 -39.4 -17.9 -0.9 -7.8 28 28 A Q H < S+ 0 0 62 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.691 127.3 23.8 -73.1 -27.3 -21.2 1.0 -7.6 29 29 A H >X + 0 0 54 -4,-1.3 3,-2.7 -5,-0.2 4,-2.6 -0.428 66.8 158.5-144.2 56.6 -21.2 2.2 -11.1 30 30 A P T 34 S+ 0 0 80 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.773 76.3 55.6 -60.2 -27.6 -19.0 -0.1 -13.2 31 31 A E T 34 S+ 0 0 172 1,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.598 119.2 29.9 -80.2 -11.8 -20.7 1.0 -16.4 32 32 A L T <4 S+ 0 0 22 -3,-2.7 21,-2.2 1,-0.2 2,-0.4 0.676 113.4 54.8-118.8 -32.8 -20.0 4.7 -15.9 33 33 A V E < +A 52 0A 2 -4,-2.6 2,-0.4 19,-0.2 -1,-0.2 -0.914 51.4 178.9-125.6 130.1 -16.8 5.0 -13.8 34 34 A S E -A 51 0A 54 17,-1.9 17,-3.0 -2,-0.4 2,-0.6 -0.994 21.9-138.7-121.0 137.7 -13.3 3.6 -14.5 35 35 A K E -A 50 0A 61 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.907 22.7-168.7-102.0 122.3 -10.2 4.2 -12.3 36 36 A L E -A 49 0A 52 13,-3.8 13,-2.6 -2,-0.6 2,-0.6 -0.766 17.2-148.3-111.4 141.1 -7.0 4.8 -14.2 37 37 A Q E +A 48 0A 103 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.963 19.8 173.3-106.9 107.1 -3.5 4.9 -12.9 38 38 A I E - 0 0 31 9,-2.0 2,-0.3 -2,-0.6 10,-0.1 0.370 62.0 -35.5 -95.9 -2.4 -1.6 7.4 -15.0 39 39 A G E -A 47 0A 17 8,-0.8 8,-2.7 5,-0.0 2,-0.3 -0.956 59.2 -92.5 174.0-176.0 1.6 7.2 -12.9 40 40 A R E -A 46 0A 147 -2,-0.3 5,-0.1 6,-0.2 138,-0.1 -0.966 39.3-117.6-128.3 143.5 3.2 6.9 -9.5 41 41 A S > - 0 0 4 4,-3.4 3,-2.0 -2,-0.3 6,-0.1 -0.059 38.0 -92.3 -72.7 174.9 4.2 9.8 -7.3 42 42 A Y T 3 S+ 0 0 105 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.878 131.6 45.1 -54.7 -40.5 7.7 10.6 -6.2 43 43 A E T 3 S- 0 0 96 2,-0.1 -1,-0.3 88,-0.0 -2,-0.1 0.192 127.9 -99.5 -95.1 10.0 7.1 8.5 -3.0 44 44 A G S < S+ 0 0 21 -3,-2.0 -2,-0.1 1,-0.3 3,-0.1 0.479 70.6 149.3 98.6 6.6 5.6 5.7 -5.1 45 45 A R - 0 0 70 1,-0.1 -4,-3.4 -5,-0.1 -1,-0.3 -0.474 53.7-104.8 -74.2 139.1 1.9 6.4 -4.5 46 46 A P E -A 40 0A 36 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.375 27.4-139.9 -55.9 141.6 -0.5 5.5 -7.3 47 47 A I E -A 39 0A 0 -8,-2.7 -9,-2.0 -3,-0.1 -8,-0.8 -0.979 25.4-158.7-111.7 116.6 -1.8 8.4 -9.2 48 48 A Y E -A 37 0A 39 -2,-0.6 61,-0.4 62,-0.3 62,-0.4 -0.866 19.2-175.1-107.5 139.4 -5.4 8.0 -10.0 49 49 A V E -A 36 0A 0 -13,-2.6 -13,-3.8 -2,-0.4 2,-0.6 -0.902 17.9-143.9-122.6 131.5 -7.9 9.4 -12.6 50 50 A L E -AB 35 107A 0 57,-2.4 57,-2.7 -2,-0.3 2,-0.6 -0.943 14.1-155.6 -93.7 125.6 -11.6 8.6 -12.6 51 51 A K E -AB 34 106A 59 -17,-3.0 -17,-1.9 -2,-0.6 2,-0.6 -0.915 4.7-164.3-103.0 118.6 -13.0 8.3 -16.1 52 52 A F E +AB 33 105A 0 53,-3.3 53,-2.4 -2,-0.6 2,-0.3 -0.927 27.4 150.9-101.2 120.9 -16.7 9.0 -16.5 53 53 A S - 0 0 20 -21,-2.2 51,-0.1 -2,-0.6 3,-0.1 -0.992 44.8-158.1-154.2 148.9 -18.0 7.7 -19.9 54 54 A T S S- 0 0 47 46,-0.7 2,-0.3 1,-0.3 47,-0.1 0.378 70.7 -83.8-104.1 3.6 -21.2 6.4 -21.5 55 55 A G S S+ 0 0 30 45,-0.1 -1,-0.3 -23,-0.1 4,-0.3 -0.960 70.1 121.5 134.0-153.3 -19.2 4.7 -24.2 56 56 A G - 0 0 59 -2,-0.3 3,-0.1 -3,-0.1 -1,-0.1 0.024 63.0 -69.9 83.5 164.6 -17.7 5.7 -27.5 57 57 A S S S- 0 0 123 1,-0.2 2,-0.5 0, 0.0 -2,-0.0 0.956 99.6 -35.9 -50.2-118.0 -14.5 5.8 -29.3 58 58 A N S S- 0 0 77 129,-0.0 -1,-0.2 3,-0.0 3,-0.1 -0.884 82.1-162.0-121.8 81.9 -12.0 8.4 -27.9 59 59 A R - 0 0 53 -2,-0.5 45,-0.2 -4,-0.3 44,-0.1 -0.490 30.6 -87.8 -64.0 148.8 -14.8 10.9 -27.2 60 60 A P - 0 0 43 0, 0.0 44,-1.4 0, 0.0 2,-0.3 -0.301 59.7-153.2 -47.7 134.7 -13.9 14.5 -26.7 61 61 A A E -cd 104 189A 0 127,-2.0 129,-3.4 42,-0.2 130,-1.4 -0.794 21.4-136.2-127.0 159.6 -13.1 14.9 -23.0 62 62 A I E -cd 105 191A 0 42,-2.4 44,-3.0 -2,-0.3 2,-0.4 -0.976 21.8-150.7-104.4 126.1 -13.1 17.3 -20.1 63 63 A W E +cd 106 192A 0 128,-2.5 130,-2.9 -2,-0.5 2,-0.4 -0.869 16.2 178.7 -96.0 139.0 -10.0 17.3 -17.8 64 64 A I E -cd 107 193A 0 42,-2.3 44,-3.3 -2,-0.4 2,-0.4 -0.969 1.8-178.8-136.6 121.2 -10.4 18.3 -14.2 65 65 A D E +cd 108 194A 1 128,-2.5 130,-2.8 -2,-0.4 2,-0.3 -0.915 2.4 179.2-115.6 145.0 -7.6 18.3 -11.6 66 66 A L E + d 0 195A 0 42,-2.5 45,-1.9 -2,-0.4 46,-0.2 -0.939 57.9 27.1-130.8 160.4 -7.8 19.2 -8.0 67 67 A G + 0 0 0 128,-0.8 45,-0.6 -2,-0.3 49,-0.1 0.685 59.2 140.3 66.6 19.1 -5.3 19.3 -5.0 68 68 A I S S+ 0 0 1 127,-0.5 2,-0.7 1,-0.2 75,-0.4 0.874 77.9 54.7 -57.8 -33.0 -2.1 19.9 -7.0 69 69 A H S > S- 0 0 0 1,-0.1 3,-1.5 3,-0.1 -1,-0.2 -0.934 91.2-150.8-100.3 113.9 -1.4 22.2 -4.1 70 70 A S T 3 S+ 0 0 0 57,-0.7 57,-0.2 -2,-0.7 6,-0.1 0.718 85.2 57.7 -64.1 -30.0 -1.7 19.8 -1.2 71 71 A R T 3 S+ 0 0 39 55,-0.6 2,-2.3 1,-0.2 -1,-0.3 0.560 79.2 92.7 -77.5 -14.6 -2.9 22.3 1.6 72 72 A E X> + 0 0 0 -3,-1.5 3,-2.4 1,-0.2 4,-0.6 -0.347 53.0 168.9 -77.3 67.9 -5.9 23.4 -0.4 73 73 A W H 3> + 0 0 32 -2,-2.3 4,-2.0 206,-0.4 -1,-0.2 0.687 64.4 69.4 -55.2 -35.6 -8.1 20.7 1.2 74 74 A I H 3> S+ 0 0 2 205,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.815 95.6 56.6 -54.1 -34.0 -11.3 22.2 -0.1 75 75 A T H <> S+ 0 0 0 -3,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.925 107.1 44.9 -66.3 -47.2 -10.3 21.1 -3.6 76 76 A Q H X S+ 0 0 5 -4,-0.6 4,-2.2 1,-0.2 -2,-0.2 0.887 115.1 50.7 -64.4 -36.8 -9.8 17.3 -2.8 77 77 A A H X S+ 0 0 16 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.892 110.9 46.6 -61.5 -51.9 -13.1 17.4 -0.8 78 78 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.832 107.7 60.5 -55.9 -44.3 -15.0 19.1 -3.8 79 79 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.928 105.7 44.5 -52.7 -50.5 -13.3 16.5 -6.0 80 80 A V H X S+ 0 0 9 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.918 113.2 51.8 -57.9 -45.0 -15.0 13.6 -4.1 81 81 A W H X S+ 0 0 28 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.912 108.2 51.7 -58.0 -47.4 -18.3 15.4 -4.1 82 82 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.884 106.3 54.3 -56.6 -45.3 -18.1 15.9 -7.9 83 83 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.897 112.5 42.9 -58.1 -42.5 -17.4 12.2 -8.5 84 84 A K H X S+ 0 0 14 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.923 111.6 55.8 -65.3 -44.5 -20.6 11.3 -6.6 85 85 A K H X S+ 0 0 43 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.898 102.7 54.6 -64.4 -40.9 -22.5 14.0 -8.2 86 86 A F H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.3 -1,-0.2 0.897 110.7 46.3 -54.6 -47.0 -21.7 12.8 -11.8 87 87 A T H < S+ 0 0 13 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.825 116.7 45.2 -67.1 -29.6 -23.0 9.4 -10.9 88 88 A E H < S+ 0 0 94 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.887 113.6 47.2 -77.9 -36.2 -26.1 11.0 -9.3 89 89 A N H >X S+ 0 0 24 -4,-3.1 4,-2.7 -5,-0.2 3,-1.8 0.678 81.8 108.2 -88.3 -18.7 -26.9 13.5 -12.0 90 90 A Y T 3< S+ 0 0 72 -4,-1.4 6,-0.0 1,-0.3 7,-0.0 -0.441 98.3 2.6 -71.1 123.1 -26.5 11.1 -14.9 91 91 A G T 34 S+ 0 0 48 2,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.254 126.9 70.3 76.2 -4.4 -30.1 10.5 -16.2 92 92 A Q T <4 S+ 0 0 154 -3,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.839 92.3 50.4-100.3 -44.9 -31.6 12.9 -13.8 93 93 A N S X S- 0 0 46 -4,-2.7 4,-2.5 1,-0.1 -2,-0.3 -0.904 72.2-150.6-108.0 115.7 -30.3 16.3 -15.0 94 94 A P H > S+ 0 0 103 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.775 95.3 49.5 -60.1 -36.1 -31.0 16.7 -18.8 95 95 A S H > S+ 0 0 35 2,-0.2 4,-1.5 1,-0.2 3,-0.0 0.945 112.3 43.3 -67.1 -55.4 -28.1 19.0 -19.2 96 96 A F H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.892 112.7 55.8 -57.1 -44.9 -25.5 16.8 -17.5 97 97 A T H X S+ 0 0 26 -4,-2.5 4,-1.8 -8,-0.3 -2,-0.2 0.906 105.4 51.2 -59.5 -37.1 -26.9 13.8 -19.2 98 98 A A H < S+ 0 0 51 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.821 108.0 54.2 -71.2 -30.0 -26.4 15.4 -22.6 99 99 A I H >X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.2 3,-1.4 0.966 112.8 40.0 -61.2 -54.1 -22.7 16.2 -21.6 100 100 A L H 3< S+ 0 0 0 -4,-2.3 -46,-0.7 1,-0.3 -1,-0.2 0.636 105.6 65.4 -75.3 -24.9 -21.8 12.5 -20.8 101 101 A D T 3< S+ 0 0 67 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.600 121.6 21.1 -65.2 -13.6 -23.8 11.1 -23.7 102 102 A S T <4 S+ 0 0 63 -3,-1.4 2,-0.3 -4,-0.3 -2,-0.2 0.598 125.6 38.2-125.5 -25.9 -21.3 12.9 -25.9 103 103 A M < - 0 0 7 -4,-2.3 -1,-0.3 -44,-0.1 2,-0.3 -0.919 66.2-129.3-133.2 155.8 -18.1 13.6 -23.9 104 104 A D E - c 0 61A 2 -44,-1.4 -42,-2.4 -2,-0.3 2,-0.5 -0.702 16.0-143.9-100.7 153.7 -16.0 11.8 -21.2 105 105 A I E -Bc 52 62A 0 -53,-2.4 -53,-3.3 -2,-0.3 2,-0.5 -0.972 7.5-165.1-122.4 128.0 -14.8 13.4 -18.0 106 106 A F E -Bc 51 63A 2 -44,-3.0 -42,-2.3 -2,-0.5 2,-0.5 -0.980 12.5-170.1-109.5 124.1 -11.4 12.6 -16.5 107 107 A L E -Bc 50 64A 0 -57,-2.7 -57,-2.4 -2,-0.5 2,-0.7 -0.963 12.6-166.2-124.6 121.4 -11.3 13.7 -12.8 108 108 A E E + c 0 65A 0 -44,-3.3 -42,-2.5 -2,-0.5 3,-0.4 -0.872 8.7 179.7-107.6 101.9 -8.0 13.8 -10.8 109 109 A I S S+ 0 0 1 -2,-0.7 2,-0.6 -61,-0.4 -30,-0.2 0.933 77.0 25.9 -74.4 -41.4 -9.0 14.2 -7.1 110 110 A V + 0 0 3 -62,-0.4 -1,-0.3 1,-0.1 -62,-0.3 -0.825 64.5 170.5-126.6 94.1 -5.5 14.2 -5.5 111 111 A T S S+ 0 0 0 -45,-1.9 -43,-0.2 -2,-0.6 -44,-0.1 0.692 82.0 39.1 -68.5 -33.4 -3.0 15.4 -8.2 112 112 A N > + 0 0 0 -45,-0.6 4,-2.1 -46,-0.2 -1,-0.3 -0.739 67.4 166.2-126.6 82.2 -0.3 15.6 -5.5 113 113 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.812 75.2 52.7 -67.5 -37.7 -0.7 12.6 -3.3 114 114 A N H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.929 112.3 45.7 -67.0 -48.0 2.7 12.9 -1.5 115 115 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.881 112.3 53.1 -59.5 -45.4 2.1 16.5 -0.6 116 116 A F H X S+ 0 0 8 -4,-2.1 4,-1.0 1,-0.2 3,-0.3 0.938 108.7 47.6 -55.8 -50.6 -1.5 15.5 0.6 117 117 A A H >X S+ 0 0 21 -4,-2.5 4,-2.3 1,-0.2 3,-0.8 0.902 110.1 54.1 -59.3 -35.9 -0.2 12.7 2.9 118 118 A F H 3X>S+ 0 0 40 -4,-1.8 4,-2.8 1,-0.3 5,-2.5 0.845 101.2 58.1 -69.8 -38.2 2.3 15.2 4.3 119 119 A T H 3<5S+ 0 0 4 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.723 114.1 40.0 -57.9 -31.9 -0.5 17.7 5.1 120 120 A H H <<5S+ 0 0 69 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.754 122.8 39.0 -82.9 -34.7 -2.0 15.0 7.2 121 121 A S H <5S- 0 0 79 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.858 134.8 -13.4 -87.8 -47.6 1.2 13.6 8.7 122 122 A E T <5S+ 0 0 136 -4,-2.8 2,-0.5 1,-0.2 -3,-0.2 0.614 121.8 29.9-131.0 -50.0 3.4 16.6 9.4 123 123 A N > < - 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