==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-JAN-05 1YPX . COMPND 2 MOLECULE: PUTATIVE VITAMIN-B12 INDEPENDENT METHIONINE SYNTH . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR F.FOROUHAR,Y.CHEN,J.BENACH,R.XIAO,T.B.ACTON,G.T.MONTELIONE,J . 318 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.9 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 . 0 0.0 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 . 24 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 1 1 0 0 0 0 0 3 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 2 2 1 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 N 0 0 161 0, 0.0 6,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 166.0 40.9 85.3 -3.1 2 3 A Q - 0 0 39 4,-0.1 4,-0.1 1,-0.1 0, 0.0 -0.957 360.0-132.3 175.1-178.1 43.7 82.7 -2.9 3 4 A V S S+ 0 0 99 2,-0.3 3,-0.2 -2,-0.3 206,-0.1 0.646 84.6 28.9-120.7 -74.4 44.4 79.1 -3.3 4 5 A A S S- 0 0 3 1,-0.3 2,-0.1 204,-0.1 205,-0.1 0.515 129.8 -12.6 -67.8-138.9 46.4 77.4 -0.5 5 6 A P S S- 0 0 0 0, 0.0 -2,-0.3 0, 0.0 -1,-0.3 -0.470 85.4-128.0 -64.9 138.4 46.0 79.0 2.9 6 7 A F - 0 0 9 -3,-0.2 289,-0.3 2,-0.2 3,-0.1 -0.463 20.7-104.4 -85.0 158.5 44.2 82.3 2.4 7 8 A Y S S+ 0 0 58 -6,-0.3 288,-2.4 1,-0.3 2,-0.6 0.833 122.9 39.2 -47.1 -38.6 45.3 85.7 3.7 8 9 A A B S+a 295 0A 15 286,-0.1 50,-0.6 48,-0.1 51,-0.4 -0.924 89.2 139.1-115.9 100.3 42.5 85.3 6.3 9 10 A D - 0 0 0 286,-1.9 2,-0.3 -2,-0.6 3,-0.1 -0.725 35.1-144.3-131.2 179.1 42.6 81.7 7.3 10 11 A H - 0 0 1 -2,-0.2 290,-0.1 286,-0.2 -4,-0.1 -0.996 25.8-114.9-152.4 150.7 42.2 79.7 10.6 11 12 A V - 0 0 3 -2,-0.3 289,-0.1 288,-0.3 -1,-0.1 0.884 57.1-117.5 -50.6 -47.7 43.6 76.6 12.3 12 13 A G S S+ 0 0 1 1,-0.4 51,-0.5 287,-0.2 49,-0.1 -0.146 72.6 108.6 140.1 -49.9 40.3 74.8 12.3 13 14 A S - 0 0 14 50,-0.1 288,-1.3 51,-0.1 -1,-0.4 -0.405 45.8-163.8 -68.0 140.9 38.8 73.9 15.7 14 15 A I - 0 0 1 49,-1.1 2,-0.1 286,-0.2 3,-0.1 -0.893 31.5 -85.7-122.6 152.0 35.8 75.9 16.7 15 16 A L - 0 0 27 -2,-0.3 2,-0.2 1,-0.1 287,-0.1 -0.310 47.4-112.3 -57.0 130.8 34.1 76.3 20.2 16 17 A R - 0 0 96 1,-0.1 -1,-0.1 -2,-0.1 289,-0.1 -0.457 32.2-138.3 -68.3 127.8 31.6 73.6 21.0 17 18 A T > - 0 0 7 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.184 25.2-103.8 -76.8 176.7 28.1 74.9 21.2 18 19 A K H > S+ 0 0 144 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.814 120.1 60.4 -72.3 -29.0 25.6 74.0 23.9 19 20 A G H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.958 113.3 35.1 -62.1 -49.3 23.8 71.7 21.3 20 21 A I H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.815 118.1 55.5 -72.8 -29.0 26.9 69.6 20.8 21 22 A K H X S+ 0 0 114 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.967 111.4 41.3 -65.9 -54.5 27.8 70.1 24.5 22 23 A D H >X S+ 0 0 54 -4,-3.4 4,-2.0 2,-0.2 3,-0.7 0.910 115.3 52.3 -58.5 -48.2 24.5 68.7 25.8 23 24 A A H 3X S+ 0 0 4 -4,-2.0 4,-2.2 -5,-0.3 3,-0.3 0.963 103.8 53.8 -55.7 -58.5 24.4 65.9 23.2 24 25 A R H 3X S+ 0 0 59 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.733 109.9 52.9 -52.0 -21.2 27.9 64.6 24.0 25 26 A E H S+ 0 0 81 -4,-2.0 4,-1.8 -3,-0.3 5,-1.7 0.819 108.4 60.5 -61.0 -31.4 23.5 62.3 27.0 27 28 A F H ><5S+ 0 0 75 -4,-2.2 3,-0.8 2,-0.2 -1,-0.2 0.985 109.3 36.8 -59.8 -62.6 25.5 60.0 24.8 28 29 A Q H 3<5S+ 0 0 159 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.695 115.1 61.3 -63.8 -17.7 28.0 58.8 27.5 29 30 A S H 3<5S- 0 0 76 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.824 113.3-121.0 -75.9 -34.8 25.0 59.0 29.8 30 31 A G T <<5S+ 0 0 61 -4,-1.8 -3,-0.2 -3,-0.8 -2,-0.1 0.310 86.6 107.3 108.6 -5.2 23.2 56.4 27.8 31 32 A E S > - 0 0 62 -2,-0.3 4,-3.1 1,-0.1 3,-1.6 -0.639 22.5-115.6-101.4 160.2 22.8 56.5 20.9 34 35 A A H 3> S+ 0 0 62 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.923 121.9 51.5 -55.6 -46.7 26.0 56.9 18.8 35 36 A L H 34 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.553 115.5 43.7 -68.0 -7.9 23.8 56.6 15.7 36 37 A E H X> S+ 0 0 89 -3,-1.6 4,-1.0 2,-0.1 3,-0.7 0.740 103.1 61.2-105.5 -36.7 21.6 59.4 17.3 37 38 A L H 3X S+ 0 0 11 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.757 94.9 67.6 -62.0 -26.0 24.3 61.8 18.5 38 39 A R H 3X S+ 0 0 78 -4,-1.1 4,-2.6 -5,-0.2 -1,-0.2 0.886 92.5 57.5 -65.1 -38.9 25.4 62.1 14.9 39 40 A K H <> S+ 0 0 148 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.964 107.7 45.4 -56.2 -57.0 22.3 64.0 13.8 40 41 A I H X S+ 0 0 55 -4,-1.0 4,-3.6 1,-0.3 3,-0.5 0.942 111.4 53.2 -52.9 -49.6 22.7 66.7 16.3 41 42 A E H X S+ 0 0 12 -4,-1.9 4,-3.6 1,-0.3 5,-0.3 0.909 107.6 53.3 -49.9 -43.7 26.4 67.0 15.4 42 43 A N H X S+ 0 0 25 -4,-2.6 4,-1.8 2,-0.2 -1,-0.3 0.864 111.5 44.1 -59.4 -39.5 25.2 67.3 11.8 43 44 A T H X S+ 0 0 86 -4,-1.9 4,-2.0 -3,-0.5 -2,-0.2 0.928 116.4 46.8 -70.7 -49.0 22.9 70.2 12.8 44 45 A E H X S+ 0 0 31 -4,-3.6 4,-2.0 2,-0.2 5,-0.2 0.941 111.6 49.4 -59.9 -50.9 25.5 71.9 15.0 45 46 A I H X S+ 0 0 0 -4,-3.6 4,-2.3 1,-0.2 3,-0.3 0.949 109.3 53.6 -53.9 -50.8 28.2 71.6 12.3 46 47 A K H X S+ 0 0 94 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.890 106.7 53.1 -51.1 -42.4 25.9 73.0 9.8 47 48 A Y H X S+ 0 0 95 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.912 111.7 43.5 -61.6 -43.2 25.3 76.0 12.1 48 49 A I H X S+ 0 0 0 -4,-2.0 4,-1.8 -3,-0.3 -1,-0.2 0.757 106.4 63.7 -74.2 -24.3 29.1 76.7 12.4 49 50 A V H X S+ 0 0 3 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.955 106.4 42.5 -63.2 -49.9 29.5 76.2 8.7 50 51 A E H X S+ 0 0 91 -4,-1.8 4,-2.8 1,-0.2 3,-0.5 0.918 110.7 56.7 -63.4 -42.4 27.3 79.2 7.9 51 52 A K H X S+ 0 0 53 -4,-1.6 4,-1.0 1,-0.3 -1,-0.2 0.851 103.1 53.2 -58.2 -37.3 28.9 81.3 10.6 52 53 A Q H X>S+ 0 0 0 -4,-1.8 5,-1.3 1,-0.2 4,-0.7 0.830 113.3 46.1 -67.5 -28.7 32.4 80.8 9.2 53 54 A K H ><5S+ 0 0 47 -4,-1.1 3,-0.5 -3,-0.5 -2,-0.2 0.893 107.7 54.5 -80.9 -37.9 30.9 82.1 6.0 54 55 A E H 3<5S+ 0 0 90 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.643 106.7 53.5 -69.4 -15.1 29.0 85.0 7.5 55 56 A V H 3<5S- 0 0 10 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.716 122.9-104.7 -90.6 -22.0 32.3 86.2 9.1 56 57 A G T <<5 + 0 0 46 -4,-0.7 -3,-0.2 -3,-0.5 -2,-0.1 0.252 67.0 150.2 120.3 -11.6 34.1 86.2 5.7 57 58 A L < - 0 0 3 -5,-1.3 -1,-0.3 -6,-0.2 -48,-0.1 -0.137 30.7-165.5 -53.7 144.8 36.2 83.1 6.0 58 59 A K S S+ 0 0 68 -50,-0.6 57,-2.1 1,-0.1 2,-0.4 0.764 75.3 63.2-101.3 -38.3 36.9 81.2 2.8 59 60 A S E S-g 115 0B 0 -51,-0.4 2,-0.4 55,-0.2 57,-0.2 -0.749 72.8-166.0 -89.6 133.3 38.1 78.0 4.3 60 61 A I E -g 116 0B 0 55,-2.5 57,-3.1 -2,-0.4 2,-0.2 -0.965 7.5-178.0-124.6 137.6 35.5 76.2 6.4 61 62 A T - 0 0 4 -2,-0.4 -9,-0.1 55,-0.2 57,-0.1 -0.553 40.0-114.5-119.3-175.0 35.9 73.3 8.9 62 63 A D > - 0 0 5 55,-0.3 3,-2.1 -2,-0.2 4,-0.2 0.167 51.2-117.9-108.0 17.9 33.6 71.2 11.0 63 64 A G T 3 - 0 0 4 -51,-0.5 -49,-1.1 1,-0.3 -50,-0.1 0.608 50.3 -86.8 57.8 14.7 35.1 72.8 14.1 64 65 A E T > S+ 0 0 40 -51,-0.2 3,-2.0 1,-0.1 -1,-0.3 0.740 83.4 152.7 56.1 27.2 36.3 69.3 15.1 65 66 A F T < + 0 0 2 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.728 65.4 54.5 -56.7 -31.5 32.9 69.0 16.7 66 67 A R T 3 0 0 15 -4,-0.2 -1,-0.3 -25,-0.1 -2,-0.1 0.491 360.0 360.0 -83.7 -2.3 32.8 65.2 16.3 67 68 A R < 0 0 101 -3,-2.0 -2,-0.1 2,-0.1 3,-0.1 0.923 360.0 360.0 60.8 360.0 36.1 65.1 18.1 68 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 69 71 A W 0 0 18 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 60.2 40.2 65.0 15.2 70 72 A H > + 0 0 66 50,-0.1 4,-2.3 -3,-0.1 3,-0.1 -0.020 360.0 22.9-160.2 -87.8 43.3 63.3 16.7 71 73 A F H > S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 11,-0.1 0.738 123.0 58.9 -69.8 -22.6 43.3 60.1 18.7 72 74 A D H 4 S+ 0 0 36 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.840 107.6 46.0 -71.8 -35.5 40.0 59.4 17.0 73 75 A F H 4 S+ 0 0 1 2,-0.1 3,-0.4 1,-0.1 -2,-0.2 0.916 118.3 42.1 -71.8 -43.3 41.7 59.5 13.7 74 76 A L H >< S+ 0 0 1 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.943 108.3 55.3 -69.8 -50.3 44.6 57.4 14.9 75 77 A E T 3< S+ 0 0 53 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.617 102.8 63.0 -59.8 -10.2 42.7 54.7 16.8 76 78 A N T 3 S+ 0 0 66 -3,-0.4 2,-0.4 -4,-0.3 -1,-0.3 0.133 82.6 96.7-100.6 17.8 40.8 54.2 13.6 77 79 A L S X S- 0 0 4 -3,-2.3 3,-1.8 17,-0.1 17,-0.2 -0.894 88.7-102.9-105.6 138.2 43.9 53.1 11.8 78 80 A D E 3 S+H 93 0C 88 15,-1.9 15,-1.6 -2,-0.4 3,-0.1 -0.305 109.5 29.0 -57.8 140.6 44.5 49.3 11.5 79 81 A G E 3 S+ 0 0 12 1,-0.2 11,-1.7 13,-0.2 10,-1.4 0.429 108.3 89.7 87.1 -1.1 47.1 48.1 14.0 80 82 A V E < +H 88 0C 9 -3,-1.8 2,-0.3 8,-0.2 -1,-0.2 -0.944 44.4 162.0-128.6 149.0 46.2 50.9 16.4 81 83 A E E -H 87 0C 91 6,-1.7 6,-2.0 -2,-0.3 -5,-0.1 -0.857 33.7-116.8-169.1 129.8 43.6 51.1 19.3 82 84 A G E H 86 0C 24 -2,-0.3 4,-0.2 4,-0.2 -10,-0.0 -0.208 360.0 360.0 -66.0 159.7 43.1 53.3 22.3 83 85 A Y 0 0 236 2,-1.6 -1,-0.0 0, 0.0 -2,-0.0 -0.327 360.0 360.0-175.1 360.0 43.3 52.0 25.9 84 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 85 102 A S 0 0 84 0, 0.0 -2,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-175.5 46.9 57.0 24.7 86 103 A V E -Hi 82 130C 7 43,-0.8 45,-2.1 -4,-0.2 2,-0.4 -0.871 360.0-150.7-104.0 133.0 47.0 54.9 21.5 87 104 A K E -Hi 81 131C 35 -6,-2.0 -6,-1.7 -2,-0.4 2,-0.9 -0.854 6.0-146.8-102.7 132.9 48.6 51.5 21.5 88 105 A I E +Hi 80 132C 0 43,-2.1 45,-2.6 -2,-0.4 46,-1.8 -0.885 35.2 154.3 -99.4 105.1 50.2 50.1 18.3 89 106 A T E + 0 0 75 -10,-1.4 -9,-0.2 -2,-0.9 46,-0.2 0.345 58.8 21.2-113.1 2.8 49.5 46.4 18.5 90 107 A G E S- 0 0 10 -11,-1.7 2,-0.2 44,-0.1 44,-0.2 -0.942 102.0 -50.3-157.3 177.0 49.5 45.4 14.9 91 108 A P E - 0 0 60 0, 0.0 -11,-0.1 0, 0.0 -2,-0.1 -0.391 62.5-115.7 -61.1 119.6 50.7 46.4 11.4 92 109 A I E + 0 0 7 -2,-0.2 2,-0.3 -13,-0.2 -13,-0.2 -0.277 52.4 145.9 -57.3 132.5 49.7 50.0 10.6 93 110 A D E -H 78 0C 46 -15,-1.6 -15,-1.9 58,-0.1 2,-0.4 -0.993 39.5-134.8-164.5 165.7 47.3 50.4 7.8 94 111 A F + 0 0 14 -2,-0.3 -17,-0.1 -17,-0.2 3,-0.0 -0.994 38.4 134.0-130.6 135.2 44.3 52.4 6.4 95 112 A T S S+ 0 0 104 -2,-0.4 2,-0.4 60,-0.0 -1,-0.1 0.430 76.3 5.5-139.7 -65.8 41.2 50.9 4.8 96 113 A T - 0 0 119 -20,-0.2 3,-0.0 4,-0.0 0, 0.0 -0.913 66.9-179.0-135.7 106.4 38.0 52.5 5.9 97 114 A H > - 0 0 12 -2,-0.4 3,-1.1 1,-0.1 4,-0.4 -0.805 31.3-134.5-106.7 146.7 38.1 55.5 8.2 98 115 A P T >> S+ 0 0 59 0, 0.0 4,-1.5 0, 0.0 3,-0.6 0.711 99.7 74.6 -69.2 -21.8 35.1 57.3 9.7 99 116 A F H 3> S+ 0 0 4 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.675 83.3 69.2 -65.8 -16.6 36.7 60.7 8.8 100 117 A I H <> S+ 0 0 36 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.908 104.0 38.1 -69.4 -43.1 35.9 60.0 5.1 101 118 A E H <> S+ 0 0 109 -3,-0.6 4,-2.6 -4,-0.4 -1,-0.2 0.813 111.6 60.1 -76.3 -33.5 32.1 60.4 5.5 102 119 A D H X S+ 0 0 8 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.845 108.9 45.2 -64.0 -29.9 32.6 63.3 8.0 103 120 A F H X S+ 0 0 0 -4,-1.2 4,-3.9 2,-0.2 5,-0.3 0.963 109.3 52.6 -75.0 -52.5 34.4 65.1 5.2 104 121 A I H X S+ 0 0 73 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.887 111.7 50.0 -47.1 -42.6 31.8 64.3 2.6 105 122 A F H X S+ 0 0 17 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.957 113.3 43.3 -62.7 -51.8 29.3 65.7 5.0 106 123 A L H X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 3,-0.3 0.956 111.8 53.8 -56.8 -54.2 31.3 68.9 5.6 107 124 A K H X S+ 0 0 91 -4,-3.9 4,-1.6 1,-0.2 -1,-0.2 0.867 105.1 57.0 -48.8 -41.1 32.0 69.3 1.9 108 125 A E H < S+ 0 0 116 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.942 110.0 42.2 -55.9 -52.5 28.3 69.1 1.4 109 126 A A H < S+ 0 0 23 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.713 108.3 60.8 -70.0 -23.6 27.5 72.0 3.6 110 127 A V H < S- 0 0 3 -4,-1.8 3,-0.3 1,-0.1 -1,-0.2 0.924 88.0-162.0 -72.3 -46.1 30.4 74.2 2.4 111 128 A G < - 0 0 41 -4,-1.6 3,-0.2 1,-0.2 5,-0.2 -0.457 36.7 -66.8 94.8-168.8 29.4 74.5 -1.2 112 129 A D S S+ 0 0 149 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.481 122.2 67.8-102.0 -5.8 31.4 75.4 -4.3 113 130 A N S S+ 0 0 124 -3,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.355 107.5 35.9 -93.8 5.4 31.9 79.1 -3.3 114 131 A H S S- 0 0 53 -3,-0.2 2,-0.5 -54,-0.0 -55,-0.2 -0.912 82.4-111.6-146.5 170.5 34.2 78.1 -0.4 115 132 A V E -g 59 0B 43 -57,-2.1 -55,-2.5 -2,-0.3 2,-0.5 -0.933 21.8-132.5-115.9 131.5 36.8 75.4 0.4 116 133 A A E -g 60 0B 5 -2,-0.5 49,-0.5 -57,-0.2 2,-0.5 -0.659 21.0-155.9 -80.4 126.1 36.4 72.6 2.9 117 134 A K - 0 0 3 -57,-3.1 2,-0.4 -2,-0.5 -55,-0.3 -0.887 6.5-165.6-105.7 131.0 39.4 72.3 5.2 118 135 A Q E -b 167 0A 3 48,-2.4 50,-2.9 -2,-0.5 2,-0.4 -0.952 2.3-161.1-116.8 134.4 40.1 69.0 6.9 119 136 A T E +b 168 0A 4 -2,-0.4 50,-0.2 48,-0.2 48,-0.0 -0.947 16.0 163.4-117.8 134.9 42.5 68.6 9.9 120 137 A I E -b 169 0A 0 48,-2.6 50,-2.4 -2,-0.4 -50,-0.1 -0.927 44.3 -89.4-139.1 160.6 44.1 65.4 11.1 121 138 A P E -b 170 0A 2 0, 0.0 50,-0.2 0, 0.0 -51,-0.1 -0.378 49.0 -98.4 -71.1 158.0 47.1 64.8 13.3 122 139 A S > - 0 0 0 48,-2.0 3,-2.4 91,-0.1 4,-0.5 -0.404 28.4-119.0 -70.2 146.1 50.5 64.6 11.8 123 140 A P T >> S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-1.0 0.867 115.4 63.1 -58.3 -29.3 51.9 61.1 11.3 124 141 A A H 3> S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 5,-0.2 0.593 88.6 72.2 -68.9 -9.5 54.7 62.0 13.7 125 142 A X H <> S+ 0 0 5 -3,-2.4 4,-1.0 2,-0.2 -1,-0.3 0.766 96.6 48.6 -75.8 -25.2 52.0 62.4 16.3 126 143 A L H <> S+ 0 0 0 -3,-1.5 4,-0.9 -4,-0.5 -2,-0.2 0.865 105.2 57.9 -79.7 -40.4 51.6 58.6 16.4 127 144 A H H < S+ 0 0 57 -4,-1.0 5,-0.2 2,-0.1 -2,-0.2 0.928 118.5 30.6 -55.2 -48.4 55.3 57.9 16.7 128 145 A Y H < S+ 0 0 95 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.988 125.5 36.1 -75.3 -78.2 55.5 60.0 19.9 129 146 A R H < S+ 0 0 100 -4,-1.0 -43,-0.8 -5,-0.2 2,-0.5 0.478 105.3 93.1 -58.2 -0.2 52.2 59.8 21.8 130 147 A G E < S-i 86 0C 3 -4,-0.9 2,-0.9 -45,-0.1 -43,-0.2 -0.840 70.4-141.7-104.8 131.9 51.9 56.2 20.7 131 148 A D E -i 87 0C 82 -45,-2.1 -43,-2.1 -2,-0.5 2,-0.3 -0.765 20.4-139.4 -90.7 106.2 53.2 53.2 22.7 132 149 A I E +i 88 0C 55 -2,-0.9 -43,-0.1 -5,-0.2 -45,-0.1 -0.488 38.0 155.0 -69.4 124.8 54.6 50.7 20.3 133 150 A E + 0 0 108 -45,-2.6 -44,-0.2 -2,-0.3 -1,-0.2 0.614 37.3 105.5-119.8 -29.4 53.6 47.2 21.3 134 151 A Y S > S- 0 0 60 -46,-1.8 4,-0.8 -44,-0.2 -44,-0.1 -0.196 70.2-132.4 -53.4 147.5 53.9 45.3 18.0 135 152 A Q H > S+ 0 0 130 -46,-0.2 4,-1.2 2,-0.2 5,-0.2 0.965 97.8 45.4 -73.2 -54.3 57.0 43.1 17.9 136 153 A P H >> S+ 0 0 37 0, 0.0 4,-3.3 0, 0.0 3,-1.8 0.959 114.0 46.4 -56.6 -54.3 58.4 44.0 14.5 137 154 A Y H 34 S+ 0 0 9 1,-0.3 7,-0.2 2,-0.2 -2,-0.2 0.848 111.6 56.4 -55.6 -30.9 58.0 47.8 14.8 138 155 A L H 3< S+ 0 0 98 -4,-0.8 -1,-0.3 1,-0.2 3,-0.2 0.770 114.4 37.4 -70.3 -25.5 59.5 47.3 18.2 139 156 A D H << S+ 0 0 140 -3,-1.8 2,-0.5 -4,-1.2 -2,-0.2 0.783 126.4 32.2 -94.7 -36.7 62.6 45.5 16.6 140 157 A D X - 0 0 72 -4,-3.3 4,-1.2 -5,-0.2 -1,-0.3 -0.955 59.2-170.6-128.8 113.8 63.0 47.6 13.5 141 158 A A H > S+ 0 0 73 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.882 86.9 60.9 -68.2 -40.3 62.0 51.3 13.6 142 159 A E H > S+ 0 0 139 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.903 101.5 55.1 -53.9 -42.7 62.3 51.8 9.8 143 160 A K H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 108.2 48.7 -56.6 -46.5 59.6 49.2 9.4 144 161 A F H X S+ 0 0 10 -4,-1.2 4,-2.1 -7,-0.2 -2,-0.2 0.942 112.0 47.6 -59.5 -51.0 57.3 51.2 11.7 145 162 A A H X S+ 0 0 29 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.892 110.4 53.1 -59.9 -42.8 58.0 54.6 9.9 146 163 A N H X S+ 0 0 75 -4,-2.7 4,-2.0 -5,-0.2 3,-0.3 0.970 111.0 42.7 -58.7 -57.7 57.4 53.0 6.4 147 164 A D H X S+ 0 0 40 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.901 112.6 54.3 -55.7 -45.6 54.0 51.5 7.1 148 165 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.882 108.4 50.0 -57.3 -39.7 52.8 54.6 9.0 149 166 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -3,-0.3 -1,-0.2 0.884 112.2 46.0 -67.2 -40.5 53.7 56.7 5.9 150 167 A T H X S+ 0 0 49 -4,-2.0 4,-3.0 2,-0.3 5,-0.3 0.881 107.6 57.8 -69.2 -38.1 51.8 54.4 3.5 151 168 A A H X S+ 0 0 0 -4,-3.0 4,-1.5 -5,-0.2 -1,-0.2 0.901 112.6 42.4 -57.5 -36.4 49.0 54.4 5.9 152 169 A Y H X S+ 0 0 2 -4,-1.5 4,-3.2 2,-0.2 5,-0.3 0.862 109.2 54.6 -78.5 -37.3 49.1 58.2 5.4 153 170 A Q H X S+ 0 0 32 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.974 114.7 43.1 -59.1 -48.1 49.6 58.1 1.6 154 171 A K H X S+ 0 0 89 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.872 113.0 53.6 -63.4 -37.0 46.5 56.0 1.5 155 172 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.3 -2,-0.2 0.959 110.5 45.2 -61.9 -52.1 44.7 58.3 4.0 156 173 A I H X S+ 0 0 4 -4,-3.2 4,-3.2 1,-0.2 -2,-0.2 0.912 111.7 52.7 -58.0 -45.1 45.4 61.4 2.0 157 174 A Q H X S+ 0 0 73 -4,-2.4 4,-3.3 -5,-0.3 5,-0.3 0.923 107.3 52.1 -58.9 -43.7 44.3 59.7 -1.2 158 175 A A H X S+ 0 0 22 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.874 112.5 46.0 -61.3 -36.6 41.1 58.7 0.4 159 176 A F H <>S+ 0 0 1 -4,-1.9 5,-2.4 2,-0.2 4,-0.4 0.901 112.7 50.0 -70.8 -43.8 40.5 62.3 1.5 160 177 A Y H ><5S+ 0 0 49 -4,-3.2 3,-3.2 1,-0.2 -2,-0.2 0.981 110.1 49.5 -58.0 -55.9 41.4 63.6 -1.9 161 178 A D H 3<5S+ 0 0 112 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.838 105.2 58.6 -50.8 -37.4 39.1 61.2 -3.6 162 179 A A T 3<5S- 0 0 27 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.599 132.2 -96.5 -69.1 -10.4 36.4 62.3 -1.2 163 180 A G T < 5S+ 0 0 14 -3,-3.2 2,-0.5 -4,-0.4 -3,-0.2 0.641 70.9 153.1 104.3 19.9 37.0 65.7 -2.7 164 181 A C < + 0 0 0 -5,-2.4 -1,-0.3 -4,-0.2 3,-0.1 -0.694 12.6 165.7 -86.8 128.3 39.4 67.3 -0.2 165 182 A R + 0 0 86 -49,-0.5 44,-1.7 -2,-0.5 2,-0.2 0.209 69.7 52.1-122.6 11.5 41.7 70.0 -1.6 166 183 A Y E + c 0 209A 2 -50,-0.3 -48,-2.4 42,-0.2 2,-0.4 -0.759 64.3 169.1-153.5 97.5 42.8 71.5 1.7 167 184 A L E -bc 118 210A 0 42,-2.9 44,-1.8 -2,-0.2 2,-0.4 -0.926 14.4-159.0-114.6 137.0 44.3 69.2 4.3 168 185 A Q E -bc 119 211A 0 -50,-2.9 -48,-2.6 -2,-0.4 2,-0.6 -0.956 8.2-148.6-123.7 131.4 46.1 70.2 7.5 169 186 A L E -bc 120 212A 0 42,-2.7 44,-2.7 -2,-0.4 2,-0.8 -0.847 11.8-151.6 -97.1 116.4 48.4 68.3 9.7 170 187 A D E +bc 121 213A 35 -50,-2.4 -48,-2.0 -2,-0.6 2,-0.6 -0.792 21.1 176.1 -90.2 110.9 48.3 69.2 13.4 171 188 A D E + c 0 214A 0 42,-3.1 44,-0.9 -2,-0.8 3,-0.2 -0.894 19.9 162.7-123.4 105.9 51.7 68.5 14.8 172 189 A T > + 0 0 44 -2,-0.6 4,-0.5 42,-0.2 -1,-0.1 0.303 60.9 87.7 -99.9 9.1 52.3 69.5 18.4 173 190 A S H >> S+ 0 0 3 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.818 78.0 60.3 -77.0 -33.5 55.4 67.3 18.7 174 191 A W H 34 S+ 0 0 0 -3,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.830 94.2 65.0 -65.4 -31.7 58.0 69.8 17.5 175 192 A S H >4 S+ 0 0 21 40,-0.4 3,-1.1 1,-0.2 4,-0.3 0.869 93.7 62.9 -59.4 -35.4 57.2 72.2 20.3 176 193 A Y H X< S+ 0 0 105 -3,-0.6 3,-0.9 -4,-0.5 2,-0.8 0.920 101.0 48.7 -56.0 -49.6 58.5 69.7 22.8 177 194 A L T 3< S+ 0 0 37 -4,-0.8 -1,-0.3 -3,-0.3 46,-0.2 -0.198 91.2 89.1 -86.5 45.2 62.1 69.7 21.4 178 195 A C T < S- 0 0 16 -3,-1.1 2,-0.3 -2,-0.8 -1,-0.2 0.598 97.3 -20.4-112.1 -20.8 62.1 73.5 21.5 179 196 A S S < S+ 0 0 63 -3,-0.9 -1,-0.2 -4,-0.3 41,-0.0 -0.910 101.6 35.8-166.2-169.0 63.4 74.2 25.0 180 197 A D 0 0 162 -2,-0.3 -4,-0.0 1,-0.1 -3,-0.0 -0.145 360.0 360.0 47.5-131.1 63.9 72.9 28.5 181 198 A E 0 0 147 2,-0.0 -1,-0.1 -5,-0.0 -4,-0.0 -0.160 360.0 360.0 55.5 360.0 64.8 69.2 28.6 182 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 183 207 A G 0 0 90 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.8 67.2 64.5 27.4 184 208 A F - 0 0 158 1,-0.1 -3,-0.0 0, 0.0 0, 0.0 0.952 360.0 -25.9 -65.3 -93.5 65.2 61.9 25.5 185 209 A D S > S+ 0 0 97 3,-0.0 4,-0.9 0, 0.0 3,-0.4 -0.602 75.1 178.9-127.3 70.9 66.2 61.8 21.9 186 210 A P T 4 + 0 0 72 0, 0.0 -9,-0.0 0, 0.0 0, 0.0 -0.434 64.7 12.1 -74.9 148.4 67.5 65.3 21.0 187 211 A E T 4 S+ 0 0 169 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 0.952 118.0 67.2 52.9 59.3 68.7 66.1 17.4 188 212 A T T >> S+ 0 0 62 -3,-0.4 4,-2.1 0, 0.0 3,-0.6 0.197 81.7 65.9-168.8 -38.1 67.3 62.9 15.8 189 213 A L H 3X S+ 0 0 29 -4,-0.9 4,-3.5 1,-0.2 5,-0.3 0.909 93.9 61.9 -65.6 -43.4 63.6 63.2 16.0 190 214 A Q H 3> S+ 0 0 29 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.765 109.3 45.6 -54.2 -25.0 63.5 66.2 13.6 191 215 A E H <> S+ 0 0 83 -3,-0.6 4,-2.7 2,-0.2 5,-0.4 0.946 112.2 45.5 -82.7 -58.6 65.1 63.7 11.1 192 216 A T H X S+ 0 0 59 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.923 121.1 44.0 -50.9 -44.1 62.8 60.7 11.7 193 217 A Y H X S+ 0 0 3 -4,-3.5 4,-3.4 2,-0.2 5,-0.3 0.936 110.3 51.3 -67.1 -52.1 59.9 63.2 11.5 194 218 A K H X S+ 0 0 21 -4,-1.7 4,-2.3 -5,-0.3 38,-0.2 0.905 117.2 41.6 -54.2 -42.9 61.0 65.3 8.5 195 219 A N H X S+ 0 0 76 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.838 114.1 53.0 -73.4 -33.2 61.5 62.0 6.6 196 220 A L H X S+ 0 0 5 -4,-1.8 4,-2.4 -5,-0.4 -2,-0.2 0.934 113.2 43.3 -65.4 -47.0 58.2 60.6 8.0 197 221 A I H X S+ 0 0 0 -4,-3.4 4,-2.1 2,-0.2 -2,-0.2 0.951 113.8 48.1 -64.7 -55.0 56.2 63.7 6.9 198 222 A N H < S+ 0 0 28 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.910 115.4 46.8 -56.1 -41.0 57.7 64.1 3.5 199 223 A E H >< S+ 0 0 61 -4,-1.9 3,-1.6 1,-0.2 4,-0.4 0.921 108.5 54.9 -65.6 -44.0 57.2 60.4 2.8 200 224 A A H 3< S+ 0 0 1 -4,-2.4 -44,-0.2 1,-0.3 -1,-0.2 0.821 119.0 34.2 -57.9 -34.2 53.6 60.5 4.2 201 225 A I T >< S+ 0 0 9 -4,-2.1 3,-1.0 1,-0.1 -1,-0.3 0.112 84.0 114.0-109.4 20.2 52.8 63.3 1.7 202 226 A K T < S+ 0 0 150 -3,-1.6 2,-0.7 1,-0.3 -1,-0.1 0.894 78.8 47.9 -56.4 -44.1 55.0 62.0 -1.1 203 227 A H T 3 S+ 0 0 102 -4,-0.4 -1,-0.3 -3,-0.2 -4,-0.0 -0.324 79.2 152.0 -96.9 52.3 52.1 61.3 -3.4 204 228 A K < - 0 0 55 -3,-1.0 -3,-0.1 -2,-0.7 6,-0.1 -0.740 46.5-119.3 -87.7 118.7 50.3 64.6 -2.8 205 229 A P > - 0 0 24 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.103 20.4-116.6 -52.7 152.7 48.1 65.6 -5.8 206 230 A A T 3 S+ 0 0 108 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.847 111.8 45.5 -61.8 -39.2 49.0 68.9 -7.6 207 231 A D T 3 S+ 0 0 79 2,-0.1 2,-0.4 -41,-0.0 -1,-0.2 0.347 94.5 93.9 -89.5 5.1 45.7 70.7 -6.8 208 232 A X < - 0 0 2 -3,-1.1 2,-0.4 -42,-0.1 -42,-0.2 -0.841 64.0-147.9-101.8 137.1 45.6 69.6 -3.1 209 233 A V E -c 166 0A 11 -44,-1.7 -42,-2.9 -2,-0.4 2,-0.5 -0.847 8.9-167.6-103.0 134.1 47.1 71.9 -0.4 210 234 A I E -c 167 0A 0 -2,-0.4 24,-1.6 -44,-0.2 25,-0.6 -0.875 10.7-178.9-126.0 101.1 48.7 70.4 2.7 211 235 A T E -cd 168 235A 0 -44,-1.8 -42,-2.7 -2,-0.5 2,-0.5 -0.590 16.1-140.0 -95.0 160.3 49.3 72.9 5.5 212 236 A X E -cd 169 236A 0 23,-2.0 25,-3.0 -44,-0.2 2,-0.8 -0.974 2.0-153.6-126.3 125.0 50.9 72.1 8.8 213 237 A H E -cd 170 237A 2 -44,-2.7 -42,-3.1 -2,-0.5 2,-1.1 -0.865 8.6-163.9 -97.7 108.7 49.9 73.5 12.1 214 238 A I E -cd 171 238A 0 23,-1.2 25,-0.6 -2,-0.8 -42,-0.2 -0.795 19.9-156.4 -89.8 94.1 53.0 73.5 14.4 215 239 A C 0 0 26 -2,-1.1 -40,-0.4 -44,-0.9 84,-0.1 -0.425 360.0 360.0 -77.4 149.0 51.3 73.9 17.8 216 240 A R 0 0 105 -2,-0.1 -1,-0.1 -41,-0.1 -44,-0.0 -0.701 360.0 360.0 -93.3 360.0 53.0 75.4 20.9 217 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 218 251 A G 0 0 1 0, 0.0 2,-1.4 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0 100.0 55.0 78.5 16.7 219 252 A G - 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