==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-FEB-10 3LXM . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR A.S.HALAVATY,G.MINASOV,I.DUBROVSKA,J.WINSOR,L.SHUVALOVA, . 849 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 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 . 55 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 257 30.3 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 1 1 1 1 3 3 3 2 0 5 0 2 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 0 4 6 11 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 4 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 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 A 0 0 112 0, 0.0 289,-0.2 0, 0.0 288,-0.1 0.000 360.0 360.0 360.0 -4.1 47.9 121.6 9.3 2 3 A N > - 0 0 25 287,-2.3 3,-1.9 286,-0.2 288,-0.0 -0.324 360.0-115.6 -62.2 143.4 48.4 117.9 8.4 3 4 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.636 111.6 53.5 -65.0 -11.7 45.6 116.7 6.2 4 5 A L T > S+ 0 0 5 285,-0.1 3,-1.4 284,-0.1 2,-0.1 0.446 75.7 128.0 -99.9 1.5 44.2 114.2 8.8 5 6 A Y T < S- 0 0 82 -3,-1.9 281,-0.2 1,-0.3 282,-0.2 -0.373 87.1 -5.5 -61.4 127.0 43.9 116.7 11.6 6 7 A H T 3 S+ 0 0 46 280,-2.6 2,-0.4 1,-0.2 106,-0.3 0.886 104.9 132.2 53.1 45.3 40.4 116.6 13.1 7 8 A K < - 0 0 114 -3,-1.4 -1,-0.2 106,-0.1 2,-0.2 -0.970 59.1-120.0-124.7 141.1 39.2 114.2 10.4 8 9 A H - 0 0 41 -2,-0.4 2,-0.6 107,-0.1 109,-0.2 -0.513 18.3-144.8 -73.9 146.9 37.3 111.0 10.9 9 10 A I B +a 117 0A 2 107,-2.6 109,-2.8 -2,-0.2 119,-0.1 -0.887 44.2 139.3-116.8 99.9 39.1 107.8 9.7 10 11 A I + 0 0 17 -2,-0.6 2,-0.4 1,-0.4 -1,-0.1 0.828 62.7 20.5-112.5 -50.8 36.3 105.6 8.4 11 12 A S > - 0 0 12 115,-0.1 3,-1.5 1,-0.1 -1,-0.4 -0.997 58.8-143.1-125.9 135.8 37.4 103.8 5.1 12 13 A I G > S+ 0 0 2 -2,-0.4 3,-2.2 1,-0.3 -1,-0.1 0.840 101.1 67.8 -63.3 -31.0 41.0 103.3 4.0 13 14 A N G 3 S+ 0 0 74 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.637 88.9 67.7 -67.8 -10.8 39.8 103.9 0.4 14 15 A D G < S+ 0 0 111 -3,-1.5 2,-0.4 2,-0.1 -1,-0.3 0.530 85.0 87.0 -80.1 -11.1 39.1 107.6 1.4 15 16 A L S < S- 0 0 11 -3,-2.2 2,-0.0 -4,-0.2 -6,-0.0 -0.808 75.1-133.5 -96.4 136.5 42.9 108.2 1.9 16 17 A S > - 0 0 52 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.277 32.0-101.7 -72.5 166.3 45.0 109.3 -1.0 17 18 A R H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 126.1 53.4 -54.3 -44.6 48.4 107.7 -1.7 18 19 A D H > S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 109.5 47.4 -58.6 -39.6 50.0 110.8 -0.1 19 20 A E H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.914 110.7 51.1 -71.3 -40.8 47.9 110.4 3.0 20 21 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.930 110.6 48.9 -59.7 -45.2 48.7 106.7 3.3 21 22 A E H X S+ 0 0 42 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.862 108.7 54.5 -65.7 -33.2 52.4 107.4 3.0 22 23 A L H X S+ 0 0 33 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.934 108.6 47.9 -61.5 -46.6 52.1 110.1 5.7 23 24 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.922 114.7 46.5 -60.2 -45.0 50.5 107.7 8.1 24 25 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.886 110.5 50.5 -67.6 -40.2 53.2 105.1 7.4 25 26 A R H X S+ 0 0 151 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.916 113.1 48.7 -62.1 -40.9 56.1 107.6 7.7 26 27 A T H X S+ 0 0 16 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.920 111.0 49.6 -65.0 -43.3 54.6 108.6 11.1 27 28 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.906 109.8 50.7 -60.8 -46.9 54.2 105.0 12.2 28 29 A A H X S+ 0 0 43 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.894 110.7 50.1 -58.7 -39.1 57.8 104.3 11.2 29 30 A S H X S+ 0 0 52 -4,-1.9 4,-3.5 2,-0.2 -2,-0.2 0.900 110.7 48.0 -67.7 -41.9 59.0 107.3 13.2 30 31 A L H < S+ 0 0 2 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.838 109.9 53.6 -68.6 -33.6 57.0 106.2 16.3 31 32 A K H < S+ 0 0 82 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.904 117.6 37.2 -63.9 -42.6 58.4 102.7 16.0 32 33 A K H < S+ 0 0 180 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.919 134.3 19.8 -75.6 -45.1 62.0 104.1 16.0 33 34 A T S < S- 0 0 81 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.877 79.3-147.0-130.4 97.5 61.4 106.9 18.5 34 35 A P - 0 0 85 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.230 2.2-154.7 -63.8 159.8 58.4 106.7 20.8 35 36 A Q > + 0 0 55 30,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.686 17.2 175.2-130.0 75.4 56.7 109.8 21.9 36 37 A P T 3 S+ 0 0 39 0, 0.0 582,-0.1 0, 0.0 -1,-0.1 0.518 77.3 42.8 -69.2 -2.9 55.1 108.8 25.2 37 38 A E T > S+ 0 0 84 3,-0.1 3,-1.7 1,-0.1 30,-0.1 0.281 77.5 107.9-120.2 11.4 53.8 112.2 26.1 38 39 A L T < S+ 0 0 43 -3,-1.8 29,-0.2 1,-0.3 28,-0.1 0.928 92.7 29.7 -57.3 -44.1 52.4 113.3 22.7 39 40 A L T > S+ 0 0 0 27,-2.8 3,-2.1 -4,-0.3 -1,-0.3 -0.046 85.6 158.6-109.1 33.1 48.7 113.0 23.8 40 41 A K T < + 0 0 84 -3,-1.7 28,-0.2 1,-0.3 3,-0.1 -0.291 69.4 17.3 -54.6 136.9 49.3 113.7 27.4 41 42 A H T 3 S+ 0 0 100 26,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.620 97.5 123.9 71.3 11.9 46.1 114.9 29.1 42 43 A K < - 0 0 56 -3,-2.1 27,-2.5 25,-0.2 2,-0.4 -0.815 49.0-152.1 -99.9 147.6 43.9 113.5 26.2 43 44 A V E -b 69 0A 3 -2,-0.3 49,-3.1 25,-0.2 50,-0.9 -0.991 10.9-167.1-119.6 127.2 41.1 111.0 27.0 44 45 A I E -bc 70 93A 0 25,-2.6 27,-2.1 -2,-0.4 2,-0.4 -0.965 15.5-135.0-118.0 127.5 40.2 108.5 24.2 45 46 A A E -bc 71 94A 0 48,-2.7 50,-3.2 -2,-0.4 2,-0.7 -0.717 8.8-158.9 -85.2 131.4 37.0 106.4 24.3 46 47 A S E -bc 72 95A 0 25,-2.8 27,-2.3 -2,-0.4 2,-0.9 -0.902 16.8-177.4-107.7 96.8 37.5 102.7 23.3 47 48 A C E +bc 73 96A 0 48,-3.1 50,-2.5 -2,-0.7 2,-0.8 -0.798 6.2 175.5-108.1 92.6 33.9 101.8 22.3 48 49 A F E - c 0 97A 0 25,-2.6 50,-0.2 -2,-0.9 48,-0.1 -0.853 11.8-178.8-102.3 104.4 33.7 98.1 21.4 49 50 A F S S+ 0 0 51 48,-2.9 2,-0.3 -2,-0.8 49,-0.1 0.422 79.0 31.6 -81.7 0.9 30.1 97.1 20.8 50 51 A E S S- 0 0 60 47,-0.2 2,-0.1 24,-0.1 47,-0.1 -0.958 103.0 -93.0-147.2 150.9 31.3 93.5 20.1 51 52 A A + 0 0 61 -2,-0.3 24,-0.1 24,-0.1 -2,-0.1 -0.382 51.1 158.0 -64.8 129.8 34.2 91.7 21.7 52 53 A S > + 0 0 20 22,-0.4 4,-3.0 -2,-0.1 5,-0.2 -0.338 10.5 174.8-154.6 68.8 37.3 92.2 19.6 53 54 A T H > S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.785 72.2 48.0 -51.3 -49.1 40.0 91.6 22.0 54 55 A R H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.963 118.0 40.6 -61.3 -52.0 43.1 91.7 19.8 55 56 A T H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.912 116.5 50.7 -62.8 -41.2 42.0 94.9 18.0 56 57 A R H X S+ 0 0 10 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.955 111.0 47.7 -63.7 -45.7 40.8 96.5 21.2 57 58 A L H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.891 110.7 52.4 -63.7 -38.8 44.1 95.7 23.1 58 59 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.941 112.9 44.3 -61.5 -49.5 46.1 97.1 20.2 59 60 A F H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.941 114.9 47.0 -62.0 -46.6 44.2 100.3 20.2 60 61 A E H X S+ 0 0 19 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.925 112.3 50.3 -63.1 -39.0 44.3 100.7 24.0 61 62 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.945 110.1 51.6 -61.1 -46.3 48.0 100.0 24.1 62 63 A S H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.893 108.7 50.9 -56.0 -45.0 48.5 102.6 21.3 63 64 A I H ><>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 3,-0.6 0.927 112.4 45.7 -61.2 -46.3 46.6 105.2 23.3 64 65 A H H ><5S+ 0 0 31 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.857 104.7 61.6 -65.6 -34.0 48.6 104.6 26.4 65 66 A R H 3<5S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.3 -30,-0.2 0.751 105.5 48.4 -66.9 -20.6 51.9 104.6 24.4 66 67 A L T <<5S- 0 0 0 -4,-0.9 -27,-2.8 -3,-0.6 -1,-0.3 0.383 123.1-106.2 -97.1 -0.8 51.2 108.2 23.5 67 68 A G T < 5S+ 0 0 20 -3,-1.6 -26,-0.7 1,-0.3 -3,-0.2 0.549 75.8 130.2 91.2 7.8 50.4 109.2 27.0 68 69 A A < - 0 0 4 -5,-2.2 -1,-0.3 -28,-0.2 2,-0.2 -0.532 55.3-115.7 -92.2 160.2 46.6 109.4 26.8 69 70 A S E -b 43 0A 34 -27,-2.5 -25,-2.6 -30,-0.2 2,-0.4 -0.643 22.8-139.5 -89.6 154.6 44.0 107.8 29.1 70 71 A V E +b 44 0A 17 -2,-0.2 2,-0.4 -27,-0.2 -25,-0.2 -0.941 20.6 174.3-117.3 130.5 41.5 105.2 27.9 71 72 A V E +b 45 0A 2 -27,-2.1 -25,-2.8 -2,-0.4 2,-0.3 -0.986 31.4 99.7-125.2 145.3 37.8 105.0 28.9 72 73 A G E -b 46 0A 12 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.992 58.6 -89.2 176.3-164.5 35.5 102.4 27.3 73 74 A F E -b 47 0A 15 -27,-2.3 -25,-2.6 -2,-0.3 -2,-0.0 -0.995 14.8-153.6-145.6 139.4 33.7 99.3 27.1 74 75 A S 0 0 53 -2,-0.4 -22,-0.4 -27,-0.1 -24,-0.1 0.518 360.0 360.0 -98.7 -4.3 34.9 96.0 25.7 75 76 A D 0 0 125 -24,-0.1 -24,-0.1 -26,-0.1 -1,-0.1 0.133 360.0 360.0-161.3 360.0 31.5 94.7 24.8 76 ! 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 77 86 A G 0 0 112 0, 0.0 2,-0.1 0, 0.0 461,-0.0 0.000 360.0 360.0 360.0-171.0 17.6 100.8 22.6 78 87 A E - 0 0 45 1,-0.1 461,-0.1 2,-0.1 5,-0.0 -0.400 360.0-106.9 -66.9 139.1 19.4 104.1 22.2 79 88 A T > - 0 0 77 459,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.322 21.6-124.9 -63.1 150.7 20.5 105.1 18.7 80 89 A L H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 112.3 59.6 -62.4 -40.6 24.2 104.9 18.1 81 90 A A H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 106.2 47.8 -51.6 -46.7 24.2 108.5 17.1 82 91 A D H > S+ 0 0 8 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.878 109.4 52.6 -64.7 -40.8 22.8 109.5 20.5 83 92 A T H X S+ 0 0 21 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.932 114.0 42.9 -60.6 -45.3 25.5 107.4 22.3 84 93 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.800 106.3 61.3 -74.8 -27.5 28.2 109.1 20.4 85 94 A S H < S+ 0 0 27 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.899 111.7 41.0 -62.5 -39.7 26.6 112.6 20.8 86 95 A V H >X S+ 0 0 2 -4,-1.8 3,-1.7 2,-0.2 4,-0.6 0.959 116.1 47.5 -72.1 -48.9 27.0 112.1 24.6 87 96 A I H >X S+ 0 0 6 -4,-2.4 4,-1.8 1,-0.3 3,-1.3 0.842 103.9 63.2 -64.8 -32.3 30.5 110.5 24.4 88 97 A S H 3< S+ 0 0 23 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.664 99.2 54.4 -62.4 -20.6 31.6 113.3 22.1 89 98 A T H <4 S+ 0 0 63 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.656 113.2 43.9 -83.1 -20.3 31.1 115.8 24.8 90 99 A Y H << S+ 0 0 9 -3,-1.3 -2,-0.2 -4,-0.6 2,-0.2 0.792 110.0 40.4 -87.9 -41.6 33.3 113.7 27.2 91 100 A V < - 0 0 5 -4,-1.8 -47,-0.2 1,-0.1 3,-0.1 -0.590 66.1-127.2-120.9 167.0 36.4 112.7 25.3 92 101 A D S S+ 0 0 40 -49,-3.1 2,-0.3 1,-0.3 -48,-0.2 0.632 92.2 3.5 -89.4 -21.4 39.0 114.0 22.7 93 102 A A E -c 44 0A 0 -50,-0.9 -48,-2.7 21,-0.2 2,-0.4 -0.975 65.2-137.4-160.2 161.6 38.6 111.1 20.2 94 103 A I E -cd 45 116A 0 21,-2.8 23,-3.5 -2,-0.3 2,-0.6 -0.982 3.3-162.6-133.3 122.5 36.6 107.9 19.8 95 104 A V E -cd 46 117A 0 -50,-3.2 -48,-3.1 -2,-0.4 2,-0.5 -0.917 26.0-171.6 -97.4 124.6 37.7 104.5 18.7 96 105 A M E +cd 47 118A 0 21,-2.6 23,-2.8 -2,-0.6 24,-0.5 -0.964 21.3 176.6-133.6 125.0 34.5 102.6 17.6 97 106 A R E +c 48 0A 42 -50,-2.5 -48,-2.9 -2,-0.5 24,-0.2 -0.989 12.7 168.9-119.5 128.6 33.8 99.0 16.7 98 107 A H - 0 0 21 22,-2.5 5,-0.1 -2,-0.4 -48,-0.1 -0.999 29.0-151.6-143.3 129.8 30.2 98.0 15.9 99 108 A P S S+ 0 0 44 0, 0.0 22,-0.1 0, 0.0 -1,-0.1 0.700 94.7 19.7 -76.6 -15.7 29.1 94.7 14.4 100 109 A Q S S+ 0 0 154 23,-0.1 2,-0.1 2,-0.0 21,-0.1 0.732 103.2 81.4-119.1 -40.5 25.9 96.2 12.7 101 110 A E S S- 0 0 56 21,-0.1 21,-2.5 1,-0.1 2,-0.3 -0.422 74.1-119.6 -79.9 146.5 26.1 99.9 12.4 102 111 A G > - 0 0 19 19,-0.2 4,-1.1 20,-0.2 5,-0.1 -0.630 9.5-152.2 -84.7 132.8 27.8 101.8 9.6 103 112 A A H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.833 93.5 61.5 -74.6 -31.6 30.7 104.1 10.7 104 113 A S H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.936 105.4 44.2 -59.1 -49.1 30.1 106.3 7.6 105 114 A R H 4 S+ 0 0 160 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.801 115.3 49.9 -61.7 -40.7 26.5 107.3 8.5 106 115 A L H >< S+ 0 0 5 -4,-1.1 3,-1.1 1,-0.2 -2,-0.2 0.943 111.9 46.4 -64.4 -47.9 27.5 107.8 12.1 107 116 A A H >< S+ 0 0 5 -4,-2.7 3,-2.4 1,-0.3 -2,-0.2 0.815 97.1 69.4 -70.3 -34.6 30.5 110.0 11.3 108 117 A A T 3< S+ 0 0 91 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.668 97.5 56.7 -56.0 -17.8 28.7 112.2 8.7 109 118 A Q T < S+ 0 0 99 -3,-1.1 2,-0.4 -4,-0.3 -1,-0.3 0.531 101.5 67.1 -92.5 -8.3 26.7 113.7 11.6 110 119 A F S < S- 0 0 36 -3,-2.4 -102,-0.1 -4,-0.2 2,-0.1 -0.896 77.4-125.9-118.3 144.0 29.8 114.8 13.6 111 120 A S > - 0 0 73 -2,-0.4 3,-0.9 1,-0.1 -104,-0.1 -0.439 31.5-117.1 -75.3 161.8 32.4 117.4 13.0 112 121 A G T 3 S+ 0 0 13 -106,-0.3 -1,-0.1 1,-0.2 -105,-0.0 0.377 91.7 102.5 -82.7 9.4 35.9 116.0 13.2 113 122 A N T 3 S+ 0 0 105 1,-0.3 -1,-0.2 -107,-0.1 -107,-0.1 0.775 94.9 34.7 -62.5 -26.6 36.8 118.1 16.2 114 123 A V S < S- 0 0 32 -3,-0.9 -1,-0.3 -108,-0.1 -21,-0.2 -0.857 104.9-142.9-121.3 89.1 36.3 114.9 18.2 115 124 A P - 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0 0 73 -3,-2.4 2,-0.3 107,-0.1 -1,-0.2 -0.751 54.0-121.4 -90.2 138.8 32.0 112.1 53.3 301 9 B H - 0 0 48 -2,-0.4 2,-0.7 106,-0.1 108,-0.2 -0.645 17.7-148.6 -77.1 137.3 30.1 109.3 51.6 302 10 B I B +k 409 0D 4 106,-2.8 108,-2.8 -2,-0.3 118,-0.1 -0.813 44.8 136.4-111.0 91.7 27.8 110.7 48.9 303 11 B I + 0 0 1 -2,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.833 65.0 24.1-102.7 -49.6 24.9 108.3 48.9 304 12 B S > - 0 0 14 -3,-0.2 3,-1.1 1,-0.1 -1,-0.3 -0.953 63.5-134.8-122.7 146.4 21.7 110.5 48.6 305 13 B I G > S+ 0 0 11 -2,-0.4 3,-1.4 1,-0.2 -1,-0.1 0.842 107.0 65.3 -62.3 -32.5 21.3 114.0 47.3 306 14 B N G 3 S+ 0 0 103 1,-0.3 -1,-0.2 -3,-0.1 0, 0.0 0.671 85.7 70.5 -62.9 -22.4 19.2 114.7 50.4 307 15 B D G < S+ 0 0 62 -3,-1.1 2,-0.4 2,-0.0 -1,-0.3 0.303 86.5 81.9 -79.8 7.6 22.3 114.3 52.6 308 16 B L S < S- 0 0 6 -3,-1.4 2,-0.1 -6,-0.0 -6,-0.0 -0.950 76.8-136.3-111.5 136.2 23.7 117.6 51.2 309 17 B S > - 0 0 50 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.321 33.4-100.0 -78.5 173.0 22.5 120.9 52.7 310 18 B R H > S+ 0 0 105 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.913 127.8 51.8 -59.3 -40.8 21.6 123.8 50.4 311 19 B D H > S+ 0 0 103 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.854 108.6 49.9 -62.7 -39.1 25.1 125.2 51.2 312 20 B E H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 109.5 50.4 -69.6 -39.3 26.7 121.9 50.3 313 21 B L H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.975 110.3 50.2 -60.9 -50.2 24.8 121.8 46.9 314 22 B E H X S+ 0 0 62 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.863 109.6 52.6 -58.2 -34.5 25.9 125.3 46.1 315 23 B L H X S+ 0 0 24 -4,-1.7 4,-2.3 2,-0.2 -1,-0.3 0.921 109.6 46.6 -65.4 -45.0 29.5 124.4 47.0 316 24 B V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.951 113.6 50.1 -61.4 -45.6 29.5 121.4 44.7 317 25 B L H X S+ 0 0 7 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.879 110.4 48.3 -61.2 -40.4 28.0 123.5 41.9 318 26 B R H X S+ 0 0 156 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.912 112.9 49.9 -67.0 -40.0 30.6 126.3 42.3 319 27 B T H X S+ 0 0 7 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.911 109.8 50.0 -62.8 -44.4 33.3 123.7 42.2 320 28 B A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.908 110.1 50.6 -61.6 -43.5 31.8 122.1 39.1 321 29 B A H X S+ 0 0 48 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.899 110.8 49.7 -61.5 -39.6 31.6 125.5 37.4 322 30 B S H X S+ 0 0 54 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.946 110.6 48.9 -65.2 -46.0 35.3 126.2 38.3 323 31 B L H < S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.851 111.0 50.6 -63.2 -35.9 36.4 122.8 36.9 324 32 B K H < S+ 0 0 71 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.896 115.7 42.6 -68.5 -40.3 34.5 123.3 33.7 325 33 B K H < S+ 0 0 171 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.918 133.4 14.9 -72.0 -42.8 36.1 126.7 33.2 326 34 B T S < S- 0 0 67 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.875 81.4-143.0-138.8 101.2 39.6 125.8 34.2 327 35 B P - 0 0 94 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.215 3.2-153.4 -64.4 154.7 40.5 122.1 34.4 328 36 B Q > + 0 0 75 30,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.730 15.4 179.1-127.0 76.3 42.8 120.8 37.1 329 37 B P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.568 79.9 40.6 -60.5 -11.3 44.3 117.7 35.4 330 38 B E T > S+ 0 0 78 1,-0.1 3,-1.5 3,-0.1 29,-0.1 0.268 76.7 108.4-122.5 14.8 46.5 116.9 38.4 331 39 B L T < S+ 0 0 47 -3,-1.9 29,-0.2 1,-0.3 -1,-0.1 0.875 92.5 33.0 -60.1 -40.9 44.2 117.5 41.4 332 40 B L T > S+ 0 0 0 27,-3.0 3,-2.0 -4,-0.3 -1,-0.3 -0.056 86.1 157.8-107.7 31.4 43.8 113.8 42.2 333 41 B K T < + 0 0 66 -3,-1.5 28,-0.2 1,-0.3 3,-0.1 -0.257 67.3 15.7 -55.7 140.0 47.2 112.8 41.1 334 42 B H T 3 S+ 0 0 97 26,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.532 97.0 124.5 70.7 6.8 48.4 109.5 42.6 335 43 B K < - 0 0 66 -3,-2.0 27,-2.5 25,-0.2 2,-0.5 -0.718 47.4-155.8 -92.7 149.3 44.9 108.6 43.7 336 44 B V E -l 362 0D 3 -2,-0.3 48,-2.9 25,-0.2 49,-0.8 -0.998 10.2-167.7-124.7 127.6 43.3 105.2 42.6 337 45 B I E -lm 363 385D 0 25,-2.5 27,-1.8 -2,-0.5 2,-0.3 -0.955 15.3-134.3-119.3 131.3 39.6 105.1 42.6 338 46 B A E -lm 364 386D 0 47,-2.5 49,-2.9 -2,-0.4 2,-0.7 -0.697 7.9-155.8 -86.3 138.7 37.6 101.9 42.2 339 47 B S E -lm 365 387D 0 25,-2.6 27,-2.0 -2,-0.3 2,-0.9 -0.923 16.3-176.6-115.1 98.0 34.7 101.9 39.8 340 48 B C E +lm 366 388D 0 47,-3.4 49,-2.4 -2,-0.7 2,-1.1 -0.764 9.2 172.6-105.3 87.8 32.5 99.1 41.1 341 49 B F E + m 0 389D 0 25,-2.2 49,-0.2 -2,-0.9 47,-0.1 -0.769 7.9 168.0 -98.4 91.8 29.6 98.6 38.8 342 50 B F S S+ 0 0 38 47,-2.6 27,-1.4 -2,-1.1 2,-0.5 0.799 81.0 46.8 -69.0 -28.2 27.8 95.5 40.1 343 51 B E S S- 0 0 60 46,-1.1 -1,-0.2 -3,-0.2 25,-0.1 -0.973 102.9-115.6-112.7 126.4 25.1 96.6 37.8 344 52 B A + 0 0 52 -2,-0.5 24,-0.1 25,-0.1 -2,-0.1 -0.331 44.1 158.0 -60.7 136.0 26.2 97.5 34.2 345 53 B S > - 0 0 22 22,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.458 12.4-179.4-158.5 79.6 25.6 101.2 33.4 346 54 B T H > S+ 0 0 60 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.898 80.0 52.8 -49.6 -50.6 27.9 102.1 30.5 347 55 B R H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.904 115.6 38.4 -56.7 -46.6 26.8 105.7 30.3 348 56 B T H > S+ 0 0 9 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 116.0 52.0 -73.7 -37.7 27.3 106.5 34.0 349 57 B R H X S+ 0 0 15 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.942 109.2 49.9 -65.0 -47.0 30.5 104.4 34.3 350 58 B L H X S+ 0 0 4 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.906 111.0 50.5 -57.8 -43.5 32.1 106.2 31.3 351 59 B S H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.936 113.3 44.7 -58.8 -48.1 31.2 109.6 32.7 352 60 B F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.941 114.0 48.8 -65.5 -43.9 32.7 108.7 36.1 353 61 B E H X S+ 0 0 22 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.929 111.1 49.7 -64.8 -40.0 35.9 107.2 34.6 354 62 B T H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.933 110.2 52.2 -60.1 -46.4 36.4 110.2 32.4 355 63 B S H X S+ 0 0 0 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.877 110.1 49.2 -54.5 -42.0 36.0 112.5 35.4 356 64 B I H ><>S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.2 3,-1.1 0.947 112.6 45.8 -68.4 -45.9 38.6 110.5 37.3 357 65 B H H ><5S+ 0 0 37 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.890 106.2 59.7 -64.1 -35.7 41.1 110.6 34.5 358 66 B R H 3<5S+ 0 0 60 -4,-2.7 -1,-0.3 1,-0.3 -27,-0.2 0.712 105.4 50.0 -66.5 -19.9 40.5 114.3 34.0 359 67 B L T <<5S- 0 0 0 -3,-1.1 -27,-3.0 -4,-0.7 -1,-0.3 0.331 122.4-107.1 -97.8 3.7 41.6 114.9 37.5 360 68 B G T < 5S+ 0 0 23 -3,-1.9 -26,-0.7 1,-0.3 -3,-0.2 0.531 76.9 127.9 87.8 7.5 44.7 112.8 37.1 361 69 B A < - 0 0 4 -5,-1.9 -1,-0.3 -28,-0.2 2,-0.2 -0.520 54.8-119.7 -93.6 164.5 43.7 109.7 39.1 362 70 B S E -l 336 0D 30 -27,-2.5 -25,-2.5 -30,-0.2 2,-0.4 -0.658 19.5-141.8-100.3 159.3 43.7 106.1 38.0 363 71 B V E +l 337 0D 17 -2,-0.2 2,-0.4 -27,-0.2 -25,-0.2 -0.961 18.8 174.7-124.9 134.7 40.7 103.8 37.8 364 72 B V E +l 338 0D 1 -27,-1.8 -25,-2.6 -2,-0.4 2,-0.3 -0.980 32.2 105.5-127.3 145.5 40.4 100.1 38.7 365 73 B G E -l 339 0D 15 -2,-0.4 2,-0.3 -27,-0.3 -25,-0.2 -0.985 59.8 -89.2 179.2-166.0 37.1 98.3 38.6 366 74 B F E -l 340 0D 22 -27,-2.0 -25,-2.2 -2,-0.3 3,-0.1 -0.971 18.6-151.9-134.3 140.4 34.6 96.0 37.1 367 75 B S S S+ 0 0 55 -2,-0.3 -22,-0.4 1,-0.2 2,-0.3 0.553 82.4 6.7 -91.7 -9.4 31.9 97.1 34.5 368 76 B D 0 0 84 -24,-0.1 -1,-0.2 -25,-0.1 -25,-0.2 -0.955 360.0 360.0-164.9 157.4 29.4 94.5 35.5 369 77 B S 0 0 119 -27,-1.4 -27,-0.1 -2,-0.3 -25,-0.1 -0.492 360.0 360.0 -65.4 360.0 29.0 91.9 38.3 370 ! 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 0.0 371 88 B T > 0 0 109 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 105.0 29.5 89.1 51.2 372 89 B L H > + 0 0 31 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.877 360.0 64.0 -44.4 -46.8 29.6 92.8 50.3 373 90 B A H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 110.4 35.4 -45.5 -60.4 30.7 93.7 53.8 374 91 B D H > S+ 0 0 25 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.914 114.5 57.9 -63.2 -44.4 34.0 91.8 53.5 375 92 B T H X S+ 0 0 27 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.857 113.3 39.2 -51.8 -44.9 34.4 92.7 49.8 376 93 B M H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.828 109.5 61.1 -77.1 -33.0 34.3 96.4 50.6 377 94 B S H < S+ 0 0 17 -4,-2.3 -2,-0.2 -5,-0.4 -1,-0.2 0.850 114.2 37.3 -61.8 -29.5 36.4 95.8 53.7 378 95 B V H >< S+ 0 0 3 -4,-2.1 3,-2.3 2,-0.2 4,-0.4 0.940 115.7 49.4 -83.4 -52.3 39.2 94.4 51.4 379 96 B I H >X S+ 0 0 1 -4,-2.5 3,-2.3 1,-0.3 4,-1.7 0.893 105.6 60.4 -53.0 -43.5 38.8 96.9 48.4 380 97 B S T 3< S+ 0 0 20 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.614 95.4 61.6 -64.0 -13.0 38.9 99.7 50.8 381 98 B T T <4 S+ 0 0 54 -3,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.613 113.1 36.2 -82.2 -17.5 42.3 98.6 51.9 382 99 B Y T <4 S+ 0 0 14 -3,-2.3 2,-0.2 -4,-0.4 -2,-0.2 0.720 110.7 54.4-100.7 -37.1 43.7 99.2 48.4 383 100 B V < - 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