==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-MAR-10 3M10 . COMPND 2 MOLECULE: ARGININE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LIMULUS POLYPHEMUS; . AUTHOR M.S.YOUSEF,S.A.CLARK,P.K.PRUETT,T.SOMASUNDARAM,W.R.ELLINGTON . 693 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 29 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 4 2 0 2 0 2 4 2 0 0 0 0 4 0 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 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 . 6 2 0 4 6 2 0 2 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 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 2 A V 0 0 42 0, 0.0 41,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 161.8 7.9 39.3 46.2 2 3 A D > - 0 0 120 1,-0.1 4,-2.5 3,-0.0 3,-0.3 -0.216 360.0-123.2 -63.4 150.2 5.0 39.3 48.7 3 4 A Q H > S+ 0 0 122 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.887 113.4 58.4 -59.8 -41.7 4.9 41.8 51.6 4 5 A A H > S+ 0 0 70 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.875 108.8 46.1 -54.8 -38.8 4.6 38.9 54.0 5 6 A T H > S+ 0 0 23 -3,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.948 111.4 50.0 -69.4 -50.2 7.9 37.6 52.6 6 7 A L H X S+ 0 0 28 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.899 107.1 57.3 -52.6 -42.7 9.6 41.0 52.8 7 8 A D H X S+ 0 0 92 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.940 111.5 39.9 -56.3 -49.3 8.4 41.3 56.4 8 9 A K H X S+ 0 0 118 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.872 113.5 55.2 -69.7 -38.0 10.2 38.1 57.4 9 10 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.937 110.2 45.4 -58.7 -47.2 13.2 38.9 55.3 10 11 A E H X S+ 0 0 70 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.924 115.3 47.2 -63.8 -43.6 13.7 42.3 56.9 11 12 A A H X S+ 0 0 56 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.900 112.7 50.8 -61.9 -41.4 13.2 40.7 60.4 12 13 A G H X S+ 0 0 5 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.906 108.4 49.6 -64.1 -44.7 15.6 37.9 59.5 13 14 A F H X S+ 0 0 22 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.913 112.0 49.7 -61.8 -41.6 18.3 40.2 58.3 14 15 A K H X S+ 0 0 119 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.880 109.5 51.2 -63.8 -39.9 18.0 42.2 61.5 15 16 A K H X S+ 0 0 38 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.947 111.0 48.0 -63.2 -48.5 18.2 39.1 63.6 16 17 A L H >< S+ 0 0 2 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.925 112.1 49.8 -55.8 -46.5 21.3 38.0 61.8 17 18 A Q H 3< S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 113.3 46.8 -61.0 -33.3 22.9 41.4 62.3 18 19 A E H 3< S+ 0 0 131 -4,-1.8 2,-1.7 -5,-0.2 -1,-0.2 0.606 84.3 97.1 -90.1 -12.8 22.0 41.4 66.0 19 20 A A X< - 0 0 17 -4,-1.3 3,-1.5 -3,-0.6 -1,-0.1 -0.579 53.8-176.0 -78.0 85.4 23.3 37.9 66.7 20 21 A S T 3 S+ 0 0 111 -2,-1.7 -1,-0.2 1,-0.3 -4,-0.0 0.826 79.8 41.8 -52.5 -39.2 26.7 38.9 68.0 21 22 A D T 3 S+ 0 0 100 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.462 83.5 122.8 -93.0 -2.4 28.0 35.3 68.4 22 23 A C < + 0 0 19 -3,-1.5 39,-0.1 -6,-0.2 38,-0.0 -0.396 31.9 176.8 -64.2 132.1 26.6 34.0 65.1 23 24 A K + 0 0 184 37,-0.4 -1,-0.1 39,-0.2 38,-0.1 0.199 29.3 135.2-120.3 13.3 29.3 32.5 62.9 24 25 A S > - 0 0 0 36,-0.4 4,-2.1 1,-0.1 40,-0.2 -0.230 63.7-125.7 -66.1 152.9 27.2 31.1 60.0 25 26 A L H > S+ 0 0 22 38,-1.8 4,-2.4 1,-0.2 5,-0.2 0.813 112.2 63.4 -65.0 -28.1 28.3 31.7 56.4 26 27 A L H > S+ 0 0 0 38,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.965 107.1 40.1 -57.6 -52.6 24.8 33.2 55.9 27 28 A K H 4 S+ 0 0 48 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.893 114.9 54.2 -64.5 -40.4 25.6 36.0 58.4 28 29 A K H < S+ 0 0 127 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.909 121.2 27.0 -58.8 -44.7 29.1 36.4 57.1 29 30 A H H < S+ 0 0 36 -4,-2.4 2,-1.8 1,-0.1 -2,-0.2 0.565 93.7 91.3-105.3 -11.0 28.1 36.9 53.4 30 31 A L < + 0 0 2 -4,-2.1 -1,-0.1 -5,-0.2 50,-0.1 -0.549 61.8 176.5 -84.8 72.5 24.6 38.4 53.6 31 32 A T > - 0 0 64 -2,-1.8 4,-3.1 1,-0.1 5,-0.2 -0.293 44.4-107.0 -70.0 161.2 25.8 42.0 53.6 32 33 A K H > S+ 0 0 128 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.924 121.2 49.1 -54.7 -47.0 23.3 44.9 53.6 33 34 A D H > S+ 0 0 122 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.869 113.6 45.2 -64.8 -38.0 24.2 45.6 49.9 34 35 A V H > S+ 0 0 29 2,-0.2 4,-1.1 1,-0.2 5,-0.2 0.927 112.8 52.0 -68.3 -45.0 23.8 42.0 48.8 35 36 A F H >X S+ 0 0 1 -4,-3.1 4,-2.1 1,-0.2 3,-0.8 0.944 111.9 45.4 -54.8 -52.0 20.6 41.7 50.8 36 37 A D H 3< S+ 0 0 59 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.862 109.0 57.2 -61.0 -36.7 19.1 44.8 49.2 37 38 A S H 3< S+ 0 0 63 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.703 122.6 21.1 -71.8 -20.0 20.2 43.7 45.7 38 39 A I H X< S+ 0 0 0 -4,-1.1 3,-2.3 -3,-0.8 11,-0.2 0.552 92.4 94.1-124.2 -11.2 18.3 40.3 45.8 39 40 A K T 3< S+ 0 0 34 -4,-2.1 10,-0.3 1,-0.3 11,-0.2 0.732 91.6 48.0 -61.5 -22.1 15.6 40.5 48.4 40 41 A N T 3 S+ 0 0 92 -4,-0.4 -1,-0.3 8,-0.1 2,-0.2 0.325 93.8 104.6 -98.5 5.9 13.0 41.5 45.8 41 42 A K < - 0 0 100 -3,-2.3 8,-0.5 35,-0.1 2,-0.3 -0.493 45.2-176.4 -90.7 159.9 14.0 38.8 43.4 42 43 A K B -A 48 0A 111 -2,-0.2 6,-0.2 6,-0.1 2,-0.1 -0.989 22.4-119.3-153.4 145.6 12.1 35.6 42.6 43 44 A T > - 0 0 7 4,-2.1 3,-1.3 -2,-0.3 30,-0.0 -0.352 34.9-103.9 -82.9 169.5 12.8 32.5 40.5 44 45 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.801 125.7 52.5 -61.1 -28.9 10.6 31.3 37.6 45 46 A M T 3 S- 0 0 96 2,-0.1 -1,-0.3 88,-0.0 0, 0.0 0.527 125.7-104.6 -86.0 -7.5 9.3 28.6 39.9 46 47 A G < + 0 0 36 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.606 66.2 150.2 100.4 14.2 8.5 31.2 42.5 47 48 A A - 0 0 0 3,-0.0 -4,-2.1 4,-0.0 -1,-0.3 -0.567 24.6-163.8 -79.5 142.7 11.2 30.8 45.1 48 49 A T B > -A 42 0A 9 -2,-0.2 3,-0.5 -6,-0.2 4,-0.4 -0.628 39.3 -94.1-115.5 176.8 12.3 33.9 47.1 49 50 A L T >> S+ 0 0 0 -8,-0.5 4,-2.4 -10,-0.3 3,-1.2 0.808 124.3 62.7 -60.5 -30.0 15.3 34.7 49.3 50 51 A L H 3> S+ 0 0 23 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.911 96.7 56.7 -62.3 -40.2 13.2 33.6 52.2 51 52 A D H <4 S+ 0 0 34 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.598 113.6 43.0 -66.4 -8.8 13.1 30.1 50.7 52 53 A V H <4 S+ 0 0 1 -3,-1.2 15,-2.1 -4,-0.4 -2,-0.2 0.821 123.4 28.7 -99.2 -45.2 16.9 30.2 50.7 53 54 A I H >X S+ 0 0 0 -4,-2.4 4,-1.6 13,-0.2 3,-0.5 0.524 86.0 102.5-103.9 -7.4 17.9 31.7 54.1 54 55 A Q H 3X S+ 0 0 21 -4,-2.0 4,-2.4 -5,-0.3 3,-0.4 0.848 82.8 49.6 -39.5 -55.4 14.9 30.6 56.4 55 56 A S H 3> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.884 110.5 49.1 -60.9 -41.5 16.8 27.8 58.1 56 57 A G H <4 S+ 0 0 0 9,-1.2 6,-0.2 -3,-0.5 -1,-0.2 0.749 111.5 49.7 -72.5 -25.7 19.9 29.9 58.9 57 58 A V H < S+ 0 0 19 -4,-1.6 3,-0.3 -3,-0.4 -2,-0.2 0.913 116.5 40.5 -75.5 -45.9 17.7 32.7 60.4 58 59 A E H < S+ 0 0 60 -4,-2.4 2,-0.6 1,-0.3 -2,-0.2 0.821 122.9 43.3 -71.2 -33.6 15.7 30.3 62.6 59 60 A N >< + 0 0 1 -4,-2.4 3,-2.0 -5,-0.3 -1,-0.3 -0.791 66.0 177.1-116.2 87.7 18.8 28.4 63.5 60 61 A L T 3 S+ 0 0 27 -2,-0.6 -37,-0.4 -3,-0.3 -36,-0.4 0.714 77.3 65.5 -65.3 -19.9 21.6 30.9 64.2 61 62 A D T 3 S+ 0 0 66 -39,-0.1 -1,-0.3 -3,-0.1 -5,-0.1 0.377 73.6 127.9 -85.8 5.9 24.0 28.1 65.0 62 63 A S < - 0 0 9 -3,-2.0 -39,-0.2 -6,-0.2 -36,-0.1 -0.341 57.7-144.3 -57.1 138.4 23.9 26.8 61.5 63 64 A G S S+ 0 0 59 -39,-0.2 -38,-1.8 -38,-0.1 -1,-0.1 0.939 96.1 3.2 -69.4 -48.3 27.4 26.4 59.9 64 65 A V S S- 0 0 24 -40,-0.2 -38,-1.9 -39,-0.2 -37,-0.2 0.847 80.4-163.5-101.7 -68.3 26.2 27.5 56.5 65 66 A G + 0 0 5 1,-0.3 -9,-1.2 -40,-0.1 2,-0.3 0.565 50.6 92.6 97.1 9.3 22.5 28.4 56.9 66 67 A I - 0 0 1 -11,-0.1 2,-0.3 -10,-0.1 -1,-0.3 -0.979 44.5-174.2-132.5 151.2 21.2 28.5 53.3 67 68 A Y - 0 0 33 -15,-2.1 203,-0.2 -2,-0.3 202,-0.1 -0.912 29.7-112.1-133.2 161.6 19.6 26.0 51.0 68 69 A A - 0 0 0 201,-2.9 68,-0.1 -2,-0.3 -16,-0.1 -0.875 18.1-167.8 -96.5 119.1 18.5 26.0 47.3 69 70 A P S S- 0 0 0 0, 0.0 66,-2.2 0, 0.0 69,-0.4 0.664 74.2 -12.2 -79.6 -16.2 14.8 26.0 46.8 70 71 A D S S- 0 0 0 64,-0.3 4,-0.4 198,-0.1 3,-0.4 -0.959 78.0 -89.1-166.3 178.9 15.2 25.2 43.1 71 72 A A S > S+ 0 0 32 62,-0.3 3,-1.2 -2,-0.3 4,-0.3 0.913 120.1 54.8 -64.4 -43.5 17.8 25.0 40.3 72 73 A E T >> S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 3,-1.6 0.749 89.3 76.7 -64.8 -24.7 17.4 28.6 39.3 73 74 A S H 3> S+ 0 0 0 -3,-0.4 4,-2.4 1,-0.3 -1,-0.2 0.800 83.3 66.0 -60.3 -28.9 18.0 30.0 42.8 74 75 A Y H <4 S+ 0 0 3 -3,-1.2 -1,-0.3 -4,-0.4 8,-0.2 0.826 115.1 30.1 -60.5 -31.3 21.8 29.4 42.3 75 76 A R H X4 S+ 0 0 179 -3,-1.6 3,-2.2 -4,-0.3 -2,-0.2 0.897 119.2 51.6 -89.3 -54.8 21.7 32.1 39.6 76 77 A T H 3< S+ 0 0 24 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.866 124.4 30.1 -53.4 -43.6 18.9 34.3 40.9 77 78 A F T >X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 3,-2.0 -0.049 82.6 129.7-107.5 30.9 20.4 34.6 44.3 78 79 A G H <> + 0 0 5 -3,-2.2 4,-3.0 1,-0.3 -1,-0.2 0.816 60.8 69.2 -52.0 -38.4 24.0 34.2 43.0 79 80 A P H 34 S+ 0 0 53 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.762 113.7 30.6 -56.2 -23.7 25.2 37.3 44.9 80 81 A L H <> S+ 0 0 0 -3,-2.0 4,-1.7 2,-0.1 -2,-0.2 0.820 121.8 48.2 -97.3 -46.5 24.6 35.2 48.1 81 82 A F H X S+ 0 0 0 -4,-2.4 4,-3.2 -8,-0.2 5,-0.3 0.907 104.8 60.0 -59.8 -44.4 25.4 31.7 46.8 82 83 A D H X S+ 0 0 33 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.928 109.5 39.5 -56.2 -54.9 28.6 32.6 45.0 83 84 A P H > S+ 0 0 42 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.899 117.6 49.8 -63.1 -39.9 30.5 33.9 48.1 84 85 A I H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.913 112.0 47.3 -65.7 -42.6 29.2 31.1 50.3 85 86 A I H X S+ 0 0 1 -4,-3.2 4,-2.3 1,-0.2 6,-0.3 0.939 112.4 50.6 -62.0 -45.2 30.1 28.4 47.8 86 87 A D H <>S+ 0 0 60 -4,-2.5 5,-2.6 -5,-0.3 -2,-0.2 0.899 114.8 43.9 -57.1 -43.9 33.5 29.9 47.4 87 88 A D H ><5S+ 0 0 48 -4,-2.3 3,-1.2 3,-0.2 -2,-0.2 0.960 116.0 43.3 -70.7 -52.8 34.0 30.0 51.2 88 89 A Y H 3<5S+ 0 0 121 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.876 113.7 50.6 -64.1 -39.6 32.7 26.6 52.2 89 90 A H T 3<5S- 0 0 43 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.401 114.4-114.8 -84.5 3.4 34.4 24.7 49.3 90 91 A G T < 5S- 0 0 73 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.787 86.7 -1.7 74.7 30.6 37.8 26.3 50.2 91 92 A G < + 0 0 49 -5,-2.6 2,-0.2 -6,-0.3 -4,-0.1 0.544 64.1 151.6 118.0 91.5 38.2 28.4 47.0 92 93 A F - 0 0 9 -10,-0.1 -1,-0.1 -9,-0.1 -6,-0.1 -0.722 34.9-150.0-143.8 89.1 35.9 28.4 44.1 93 94 A K > - 0 0 126 -2,-0.2 3,-1.3 1,-0.1 -2,-0.0 -0.045 27.7-104.7 -61.9 161.1 36.2 31.8 42.4 94 95 A L T 3 S+ 0 0 121 1,-0.3 -1,-0.1 3,-0.0 -12,-0.0 0.831 124.3 44.7 -49.9 -37.4 33.5 33.7 40.5 95 96 A T T 3 S+ 0 0 104 2,-0.0 -1,-0.3 168,-0.0 -2,-0.1 0.550 90.6 108.9 -89.7 -9.1 35.2 32.7 37.2 96 97 A D < - 0 0 52 -3,-1.3 2,-0.4 1,-0.0 -4,-0.0 -0.347 50.9-161.3 -67.5 147.6 35.9 29.0 38.2 97 98 A K - 0 0 144 167,-0.1 166,-0.2 226,-0.0 167,-0.1 -0.991 20.3-120.2-135.4 130.0 33.9 26.3 36.5 98 99 A H - 0 0 10 165,-2.5 167,-0.2 -2,-0.4 3,-0.1 -0.416 43.4-103.2 -62.5 135.8 33.3 22.7 37.6 99 100 A P - 0 0 31 0, 0.0 225,-0.1 0, 0.0 3,-0.1 -0.193 43.1 -91.4 -59.4 152.3 34.7 20.3 35.0 100 101 A P - 0 0 108 0, 0.0 162,-0.0 0, 0.0 -3,-0.0 -0.279 59.0 -81.4 -60.2 152.4 32.2 18.5 32.7 101 102 A K + 0 0 65 224,-0.1 2,-0.2 -3,-0.1 224,-0.1 -0.281 57.2 167.8 -59.6 138.3 30.9 15.2 34.1 102 103 A Q - 0 0 102 -3,-0.1 225,-2.4 1,-0.1 226,-0.2 -0.759 28.9-171.9-157.8 109.5 33.3 12.2 33.5 103 104 A W - 0 0 23 -2,-0.2 227,-0.1 223,-0.2 -1,-0.1 0.811 44.9-156.5 -64.0 -32.6 33.1 8.8 35.0 104 105 A G - 0 0 27 1,-0.1 2,-1.0 223,-0.0 -1,-0.2 -0.267 35.2 -30.2 87.2-172.3 36.5 8.1 33.4 105 106 A D > - 0 0 84 1,-0.2 3,-1.9 -3,-0.1 4,-0.2 -0.721 50.0-169.6 -88.3 98.9 38.3 4.9 32.3 106 107 A I G > S+ 0 0 37 -2,-1.0 3,-1.8 1,-0.3 -1,-0.2 0.738 81.0 71.3 -61.5 -24.2 37.1 2.2 34.8 107 108 A N G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.761 89.2 61.6 -62.1 -26.3 39.8 -0.2 33.5 108 109 A T G < S+ 0 0 51 -3,-1.9 -1,-0.3 2,-0.0 2,-0.2 0.520 92.7 88.6 -77.9 -5.0 42.4 2.0 35.2 109 110 A L < - 0 0 4 -3,-1.8 2,-0.3 -4,-0.2 222,-0.1 -0.611 59.1-168.3 -95.6 156.5 40.7 1.2 38.5 110 111 A V - 0 0 65 -2,-0.2 129,-0.5 129,-0.0 128,-0.3 -0.956 28.3-100.0-141.5 156.7 41.4 -1.8 40.7 111 112 A G - 0 0 37 -2,-0.3 2,-0.4 126,-0.2 126,-0.3 -0.549 42.2-132.0 -74.7 143.1 40.0 -3.6 43.7 112 113 A L B -B 236 0B 1 124,-2.5 124,-0.5 -2,-0.2 4,-0.1 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4,-1.9 4,-0.0 3,-0.4 -0.257 360.0-117.3 -69.1 154.6 4.9 -12.2 83.1 352 4 B Q H > S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.870 115.0 57.6 -59.4 -38.8 5.0 -14.6 80.1 353 5 B A H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 106.1 50.9 -59.7 -36.8 4.7 -11.8 77.6 354 6 B T H > S+ 0 0 24 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.930 111.1 47.4 -65.7 -44.8 7.9 -10.4 79.2 355 7 B L H X S+ 0 0 25 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.879 107.4 55.9 -65.2 -40.0 9.7 -13.7 78.8 356 8 B D H X S+ 0 0 95 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.945 112.2 43.0 -56.1 -48.8 8.6 -14.2 75.2 357 9 B K H X S+ 0 0 119 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.877 115.1 50.2 -64.2 -40.4 10.2 -10.8 74.3 358 10 B L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.923 111.8 45.7 -66.3 -46.5 13.3 -11.6 76.4 359 11 B E H X S+ 0 0 76 -4,-3.3 4,-1.5 2,-0.2 -2,-0.2 0.904 115.6 48.3 -63.7 -39.5 13.9 -15.0 74.9 360 12 B A H X S+ 0 0 53 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.929 112.4 48.6 -64.7 -44.9 13.3 -13.6 71.4 361 13 B G H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 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145.9 24.1 0.3 69.9 412 64 B G S S+ 0 0 58 -39,-0.2 -38,-2.0 -2,-0.1 -1,-0.1 0.948 95.3 2.8 -74.5 -52.9 27.4 0.9 71.6 413 65 B V S S- 0 0 24 -40,-0.2 -38,-1.9 -39,-0.2 -37,-0.2 0.873 81.1-164.0 -97.6 -68.2 26.2 0.0 75.1 414 66 B G + 0 0 5 1,-0.3 -9,-1.3 -40,-0.2 2,-0.3 0.504 50.4 88.4 98.7 4.3 22.6 -1.0 74.6 415 67 B I - 0 0 1 -11,-0.2 2,-0.3 -10,-0.1 -1,-0.3 -0.953 45.1-174.3-130.4 157.2 21.1 -0.9 78.1 416 68 B Y - 0 0 34 -15,-2.0 203,-0.2 -2,-0.3 202,-0.1 -0.938 31.3-108.3-137.8 162.1 19.5 1.7 80.3 417 69 B A - 0 0 0 201,-2.9 68,-0.1 -2,-0.3 -16,-0.1 -0.846 18.5-166.9 -94.5 123.1 18.3 1.7 83.9 418 70 B P S S- 0 0 0 0, 0.0 66,-2.4 0, 0.0 69,-0.4 0.652 74.8 -13.9 -81.5 -17.8 14.5 1.7 84.3 419 71 B D S > S- 0 0 1 64,-0.3 3,-0.5 198,-0.1 4,-0.4 -0.965 77.5 -88.6-168.1 177.5 14.8 2.6 88.0 420 72 B A T > S+ 0 0 26 62,-0.3 3,-1.1 -2,-0.3 4,-0.3 0.887 119.8 54.8 -64.6 -39.4 17.3 2.9 90.8 421 73 B E T >> S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 3,-1.8 0.747 88.6 78.8 -68.5 -23.5 16.8 -0.6 92.1 422 74 B 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