==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-AUG-06 2J19 . COMPND 2 MOLECULE: CHLOROPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CALDARIOMYCES FUMAGO; . AUTHOR T.BEITLICH,K.KUHNEL,C.SCHULZE-BRIESE,R.L.SHOEMAN, . 299 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12958.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 53.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.7 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 . 1 0.3 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 . 9 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 29.4 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 0 0 0 0 1 1 1 0 1 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A X 0 0 2 0, 0.0 297,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 167.0 7.5 15.9 19.3 2 1 A E > - 0 0 87 14,-0.2 3,-1.9 1,-0.1 4,-0.4 -0.307 360.0-121.7 -54.5 133.8 7.9 13.3 22.1 3 2 A P G > S+ 0 0 91 0, 0.0 3,-1.0 0, 0.0 12,-0.3 0.870 110.7 49.9 -51.0 -42.6 5.0 10.9 22.0 4 3 A G G 3 S+ 0 0 79 1,-0.2 -2,-0.1 2,-0.1 10,-0.0 0.608 91.2 79.9 -70.2 -14.0 3.9 11.7 25.5 5 4 A S G < S- 0 0 45 -3,-1.9 -1,-0.2 1,-0.1 -3,-0.1 0.742 82.1-149.6 -66.3 -24.9 3.9 15.4 25.0 6 5 A G X + 0 0 40 -3,-1.0 3,-1.1 -4,-0.4 -1,-0.1 0.587 50.0 139.6 60.9 12.2 0.5 15.3 23.2 7 6 A I T 3 S+ 0 0 54 -5,-0.4 -1,-0.1 1,-0.2 6,-0.1 0.885 72.1 43.5 -52.3 -39.9 1.7 18.3 21.1 8 7 A G T >> S+ 0 0 1 4,-0.1 4,-2.6 -5,-0.1 3,-1.7 0.604 93.3 158.2 -81.6 -9.5 0.1 16.8 17.9 9 8 A Y T <4 + 0 0 166 -3,-1.1 4,-0.1 1,-0.3 0, 0.0 -0.354 60.0 5.1 -70.9 141.5 -3.2 15.7 19.6 10 9 A P T 34 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.907 134.0 48.4 -95.4 20.0 -5.9 15.2 18.4 11 10 A Y T <4 S+ 0 0 106 -3,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.841 126.2 20.5 -88.2 -38.9 -4.6 15.6 14.8 12 11 A D < + 0 0 9 -4,-2.6 -1,-0.3 -6,-0.1 3,-0.3 -0.956 65.5 178.0-131.9 111.1 -1.5 13.5 15.1 13 12 A N S S+ 0 0 99 -2,-0.4 -4,-0.1 -3,-0.2 -1,-0.1 0.278 74.3 52.4 -96.3 8.5 -1.7 11.0 18.0 14 13 A N S S+ 0 0 125 46,-0.2 -1,-0.2 -6,-0.1 2,-0.1 -0.428 72.7 165.8-145.8 62.6 1.6 9.3 17.3 15 14 A T - 0 0 6 -3,-0.3 -9,-0.1 -12,-0.3 -10,-0.1 -0.365 21.1-154.4 -84.0 161.3 4.4 11.8 17.1 16 15 A L - 0 0 75 -14,-0.2 -14,-0.2 -2,-0.1 25,-0.1 -0.956 29.2 -99.6-130.0 148.9 8.1 11.3 17.2 17 16 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 281,-0.2 -0.244 35.6-100.7 -71.8 156.7 10.7 13.9 18.4 18 17 A Y - 0 0 8 279,-2.2 2,-0.4 278,-0.2 21,-0.2 -0.576 38.5-175.8 -65.0 134.5 12.8 16.1 16.2 19 18 A V - 0 0 76 19,-2.0 21,-0.1 -2,-0.3 3,-0.1 -0.988 26.8-120.0-134.5 125.3 16.4 14.8 15.8 20 19 A A - 0 0 37 -2,-0.4 2,-0.2 275,-0.2 269,-0.1 -0.297 33.8-106.1 -62.5 145.1 19.0 16.9 13.9 21 20 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.518 34.6-134.1 -70.2 142.1 20.5 15.2 10.9 22 21 A G > - 0 0 25 -2,-0.2 3,-1.6 -3,-0.1 -3,-0.0 -0.450 30.4 -93.4 -88.6 169.0 24.1 14.1 11.4 23 22 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.734 125.4 46.5 -58.6 -25.3 26.9 14.7 8.9 24 23 A T T 3 S+ 0 0 109 262,-0.1 2,-0.1 2,-0.1 21,-0.0 0.554 90.2 106.2 -94.3 -8.1 26.4 11.3 7.2 25 24 A D < - 0 0 28 -3,-1.6 2,-0.5 262,-0.1 21,-0.2 -0.363 69.4-125.1 -70.9 148.5 22.6 11.6 6.9 26 25 A S - 0 0 1 19,-2.6 2,-0.3 260,-0.1 -1,-0.1 -0.845 30.4-179.5 -94.7 129.2 21.0 12.3 3.5 27 26 A R - 0 0 0 -2,-0.5 71,-0.1 68,-0.1 103,-0.0 -0.865 15.8-130.2-126.7 166.6 18.7 15.2 3.1 28 27 A A - 0 0 0 2,-0.3 68,-0.2 -2,-0.3 67,-0.1 -0.446 26.2-112.9-105.6 172.5 16.7 16.6 0.3 29 28 A P S S+ 0 0 28 0, 0.0 67,-0.1 0, 0.0 -1,-0.0 0.275 95.3 95.1 -79.4 7.4 16.1 20.0 -1.5 30 29 A C > - 0 0 38 1,-0.1 4,-2.1 65,-0.1 -2,-0.3 -0.897 64.5-157.2-108.7 124.6 12.6 19.6 -0.0 31 30 A P H > S+ 0 0 17 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.798 96.1 53.1 -70.5 -24.8 11.6 21.2 3.3 32 31 A A H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.961 110.8 43.5 -72.5 -52.9 8.7 18.6 3.7 33 32 A L H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 113.5 53.7 -60.5 -37.1 10.9 15.5 3.2 34 33 A N H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.920 108.6 48.0 -66.4 -39.8 13.5 17.0 5.4 35 34 A A H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 6,-0.2 0.927 112.5 49.4 -63.6 -44.4 11.0 17.6 8.2 36 35 A L H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 6,-0.9 0.923 113.4 46.2 -60.3 -43.1 9.7 14.1 7.9 37 36 A A H ><5S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.893 107.0 57.7 -66.8 -40.4 13.2 12.6 8.0 38 37 A N H 3<5S+ 0 0 1 -4,-2.5 -19,-2.0 1,-0.3 -1,-0.2 0.804 112.3 42.5 -60.5 -29.3 14.2 14.8 11.0 39 38 A H H 3<5S- 0 0 5 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.491 113.2-118.2 -92.3 -6.3 11.2 13.2 12.9 40 39 A G T <<5S+ 0 0 35 -3,-1.0 -3,-0.2 -4,-0.6 4,-0.2 0.641 79.0 126.4 76.1 15.8 11.9 9.6 11.6 41 40 A Y S - 0 0 43 0, 0.0 3,-2.0 0, 0.0 -3,-0.1 -0.079 42.9-137.8 -45.4 129.5 14.2 7.1 7.7 44 43 A H T 3 S+ 0 0 52 1,-0.3 -7,-0.1 -4,-0.2 -3,-0.0 0.761 106.4 55.7 -61.5 -23.2 16.3 9.6 9.8 45 44 A D T 3 S- 0 0 67 2,-0.2 -19,-2.6 -20,-0.1 -1,-0.3 0.567 108.4-128.6 -84.1 -5.6 19.3 8.7 7.5 46 45 A G < + 0 0 0 -3,-2.0 49,-1.3 1,-0.2 2,-0.3 0.746 66.3 122.1 67.3 26.7 17.2 9.7 4.5 47 46 A R E +A 94 0A 99 47,-0.2 47,-0.2 1,-0.2 -1,-0.2 -0.899 57.5 11.7-123.2 149.6 18.0 6.3 2.7 48 47 A A E S+ 0 0 61 45,-1.2 2,-0.5 44,-0.8 45,-0.2 0.940 73.9 177.4 61.9 61.6 16.1 3.4 1.2 49 48 A I E -A 92 0A 0 43,-1.7 43,-3.1 -3,-0.2 -1,-0.2 -0.856 16.6-149.2-109.0 123.4 12.6 4.9 1.2 50 49 A S > - 0 0 29 -2,-0.5 4,-1.9 41,-0.2 5,-0.1 -0.431 25.3-115.7 -85.2 162.6 9.5 3.2 -0.1 51 50 A R H > S+ 0 0 85 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.928 116.4 50.8 -59.9 -45.9 6.5 4.8 -1.7 52 51 A E H > S+ 0 0 123 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.888 106.2 54.8 -64.1 -38.3 4.2 3.6 1.1 53 52 A T H > S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 112.3 44.1 -56.3 -48.0 6.5 5.0 3.7 54 53 A L H X S+ 0 0 8 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.944 113.5 50.6 -60.3 -48.4 6.3 8.4 2.1 55 54 A Q H X S+ 0 0 53 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.933 114.0 44.1 -57.6 -48.3 2.5 8.1 1.6 56 55 A N H X S+ 0 0 64 -4,-2.9 4,-3.0 1,-0.2 5,-0.4 0.886 111.9 52.7 -65.0 -40.8 1.9 7.2 5.2 57 56 A A H X S+ 0 0 2 -4,-2.3 4,-1.9 -5,-0.3 5,-0.4 0.928 113.8 42.8 -62.4 -46.7 4.3 9.8 6.6 58 57 A F H X S+ 0 0 18 -4,-2.6 6,-1.9 3,-0.2 4,-1.5 0.926 118.9 43.6 -66.6 -43.4 2.6 12.6 4.6 59 58 A L H X S+ 0 0 64 -4,-2.4 4,-0.7 -5,-0.3 -2,-0.2 0.941 122.0 35.3 -68.7 -47.8 -0.9 11.5 5.4 60 59 A N H < S+ 0 0 88 -4,-3.0 -46,-0.2 -5,-0.2 -1,-0.2 0.741 129.9 28.0 -83.0 -25.5 -0.5 10.7 9.1 61 60 A H H < S+ 0 0 28 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.2 0.588 131.1 27.4-115.5 -14.9 2.0 13.4 10.1 62 61 A M H < S- 0 0 2 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.1 0.379 94.6-118.5-128.0 1.3 1.4 16.3 7.7 63 62 A G < + 0 0 3 -4,-0.7 170,-2.8 -5,-0.3 2,-0.5 0.859 66.9 137.9 59.5 40.6 -2.3 16.1 6.7 64 63 A I B -b 233 0B 10 -6,-1.9 -1,-0.2 168,-0.3 170,-0.1 -0.972 47.0-136.8-120.6 114.4 -1.3 15.6 3.0 65 64 A A >> - 0 0 4 168,-2.7 3,-1.4 -2,-0.5 4,-0.6 -0.184 23.9-105.3 -72.6 164.2 -3.3 12.9 1.2 66 65 A N H >> S+ 0 0 67 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.846 116.3 64.1 -56.4 -38.7 -1.9 10.4 -1.2 67 66 A S H >4 S+ 0 0 27 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.793 94.9 61.6 -58.4 -30.7 -3.2 12.2 -4.3 68 67 A V H <4 S+ 0 0 6 -3,-1.4 4,-0.3 165,-0.3 -1,-0.3 0.827 111.1 36.1 -65.9 -33.7 -1.0 15.2 -3.5 69 68 A I H S+ 0 0 54 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.903 115.2 57.0 -64.2 -41.4 3.3 12.8 -9.4 72 71 A A H > S+ 0 0 24 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.898 107.4 47.7 -59.7 -41.0 6.0 13.6 -6.9 73 72 A L H X S+ 0 0 14 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.940 111.5 50.5 -63.3 -48.3 6.6 9.9 -6.2 74 73 A T H X S+ 0 0 57 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.942 114.4 44.5 -52.5 -50.8 6.7 9.1 -9.9 75 74 A N H X S+ 0 0 6 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.859 107.9 56.7 -69.0 -35.7 9.2 11.8 -10.5 76 75 A A H X S+ 0 0 8 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.931 111.4 44.7 -56.6 -46.6 11.4 11.0 -7.5 77 76 A F H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 11,-0.3 0.866 110.3 53.2 -73.3 -33.5 11.8 7.5 -8.9 78 77 A V H X S+ 0 0 43 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.924 113.2 45.1 -58.1 -45.6 12.4 8.7 -12.4 79 78 A V H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.902 108.8 56.3 -69.6 -39.2 15.2 10.9 -11.0 80 79 A C H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 6,-0.3 0.932 110.1 44.9 -56.2 -45.4 16.6 8.1 -8.9 81 80 A E H X S+ 0 0 87 -4,-2.1 4,-1.9 2,-0.2 5,-0.3 0.888 113.9 50.3 -67.1 -40.1 16.9 5.9 -12.0 82 81 A Y H < S+ 0 0 25 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.934 115.9 40.9 -62.1 -47.2 18.5 8.8 -13.9 83 82 A V H < S+ 0 0 32 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.913 123.8 35.9 -70.3 -43.7 21.1 9.6 -11.2 84 83 A T H < S- 0 0 61 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.708 101.1-127.7 -85.5 -22.2 22.0 6.1 -10.2 85 84 A G S < S+ 0 0 64 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.579 78.4 72.8 82.7 11.4 21.8 4.5 -13.7 86 85 A S S S- 0 0 72 -6,-0.3 -2,-0.2 -5,-0.3 -1,-0.2 -0.990 91.5 -90.5-150.2 156.8 19.5 1.7 -12.7 87 86 A D - 0 0 111 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.441 31.0-160.3 -64.2 133.5 15.8 1.1 -11.7 88 87 A C > - 0 0 21 1,-0.3 3,-1.9 -11,-0.3 2,-0.2 0.287 17.2-155.1-106.1 14.5 15.5 1.5 -8.0 89 88 A G T 3 - 0 0 37 1,-0.2 -1,-0.3 -12,-0.1 -8,-0.1 -0.315 65.1 -25.9 59.9-118.1 12.2 -0.4 -7.7 90 89 A D T 3 S+ 0 0 82 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 -0.174 119.6 85.5-122.8 37.0 10.4 0.8 -4.5 91 90 A S S < S- 0 0 55 -3,-1.9 -41,-0.2 -41,-0.1 2,-0.2 -0.816 70.6-145.7-137.6 92.2 13.4 1.8 -2.5 92 91 A L E -A 49 0A 2 -43,-3.1 -43,-1.7 -2,-0.3 -44,-0.8 -0.448 16.4-136.6 -59.8 122.6 14.4 5.4 -3.2 93 92 A V E - 0 0 68 -2,-0.2 -45,-1.2 -45,-0.2 2,-0.3 0.913 67.6 -36.2 -55.9 -49.6 18.3 5.3 -2.8 94 93 A N E -A 47 0A 34 -47,-0.2 -47,-0.2 -46,-0.1 -1,-0.1 -0.959 47.6-112.7-159.8 176.4 18.5 8.5 -0.8 95 94 A L S > S+ 0 0 0 -49,-1.3 3,-1.5 -2,-0.3 4,-0.2 0.742 104.6 69.7 -82.9 -30.1 17.0 12.0 -0.5 96 95 A T G > S+ 0 0 23 1,-0.3 3,-2.1 -50,-0.3 -1,-0.1 0.850 87.4 64.0 -60.8 -37.8 20.1 13.9 -1.7 97 96 A L G > S+ 0 0 3 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.690 84.6 76.4 -63.5 -17.0 19.8 12.7 -5.3 98 97 A L G < S+ 0 0 12 -3,-1.5 7,-0.6 1,-0.3 -1,-0.3 0.620 81.8 70.1 -68.6 -10.8 16.5 14.6 -5.6 99 98 A A G < + 0 0 2 -3,-2.1 -1,-0.3 -4,-0.2 184,-0.2 0.204 64.5 135.4 -90.6 13.9 18.7 17.7 -5.8 100 99 A E X > - 0 0 0 -3,-1.5 5,-0.6 182,-0.1 3,-0.5 -0.509 60.8-117.6 -57.7 119.8 19.9 16.6 -9.3 101 100 A P T 3 5S+ 0 0 0 0, 0.0 179,-0.3 0, 0.0 5,-0.2 -0.175 85.5 17.0 -72.1 162.4 19.6 19.9 -11.2 102 101 A H T 3 5S+ 0 0 61 1,-0.2 4,-0.2 3,-0.1 2,-0.1 0.850 116.2 74.9 46.7 43.5 17.3 20.7 -14.2 103 102 A A T < 5S- 0 0 7 2,-2.2 -1,-0.2 -3,-0.5 -5,-0.1 0.046 120.8 -28.6-139.1-108.6 15.3 17.6 -13.3 104 103 A F T 5S+ 0 0 36 -4,-0.4 -5,-0.1 -6,-0.1 -2,-0.1 0.913 132.2 67.6 -82.3 -51.7 12.9 17.6 -10.3 105 104 A E S - 0 0 0 1,-0.1 3,-2.1 -2,-0.1 12,-0.2 -0.552 29.0-110.6 -80.6 154.5 20.6 27.7 -8.0 115 114 A Y T 3 S+ 0 0 5 1,-0.3 11,-2.2 -2,-0.2 -1,-0.1 0.834 119.6 25.2 -52.1 -40.5 23.2 25.0 -9.0 116 115 A K T > S+ 0 0 24 9,-0.2 54,-2.5 54,-0.1 3,-1.0 -0.042 88.1 146.8-115.7 32.8 25.2 27.7 -11.0 117 116 A Q B < S-C 169 0C 20 -3,-2.1 52,-0.3 52,-0.2 48,-0.1 -0.554 78.0 -12.9 -72.4 123.2 24.1 30.7 -9.1 118 117 A G T 3 S+ 0 0 60 50,-2.3 -1,-0.2 -2,-0.4 2,-0.2 0.660 90.3 155.2 67.2 20.3 26.8 33.4 -9.0 119 118 A V < - 0 0 18 -3,-1.0 -1,-0.2 49,-0.2 -3,-0.0 -0.591 39.2-150.5 -86.0 140.7 29.6 31.1 -10.2 120 119 A A S S+ 0 0 85 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.807 81.2 48.2 -77.7 -30.6 32.6 32.7 -11.9 121 120 A N S > S- 0 0 107 1,-0.1 3,-1.8 49,-0.0 -1,-0.1 -0.917 79.5-128.3-120.7 142.2 33.3 29.7 -14.1 122 121 A S T 3 S+ 0 0 61 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.743 108.2 51.5 -57.6 -33.0 31.0 27.6 -16.3 123 122 A N T 3 S+ 0 0 144 2,-0.0 -1,-0.3 -3,-0.0 2,-0.0 0.584 91.4 101.1 -79.6 -12.0 32.1 24.2 -14.8 124 123 A D < + 0 0 68 -3,-1.8 2,-0.3 -8,-0.1 -5,-0.1 -0.332 47.3 179.6 -72.0 154.6 31.5 25.4 -11.2 125 124 A F - 0 0 74 -9,-0.1 2,-0.2 -2,-0.0 -9,-0.2 -0.976 7.5-159.5-147.8 164.6 28.5 24.5 -9.1 126 125 A I - 0 0 55 -11,-2.2 2,-0.9 -2,-0.3 157,-0.2 -0.730 43.4 -60.0-133.3-177.5 27.2 25.2 -5.6 127 126 A D + 0 0 34 -2,-0.2 -14,-0.5 1,-0.2 155,-0.0 -0.557 48.4 164.0 -73.9 102.1 24.8 23.8 -3.0 128 127 A N + 0 0 0 -2,-0.9 -1,-0.2 -29,-0.1 -13,-0.1 0.080 69.8 59.4 -98.2 17.3 21.4 23.9 -4.6 129 128 A R S S+ 0 0 5 -15,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.803 82.0 74.2-116.6 -51.8 20.0 21.6 -1.9 130 129 A N S S- 0 0 15 1,-0.1 -17,-0.4 156,-0.1 159,-0.0 -0.434 91.3 -90.2 -72.9 147.2 20.4 22.9 1.6 131 130 A F - 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0 0 55 -54,-2.5 3,-2.4 1,-0.1 4,-0.6 -0.212 63.8 -83.9 -48.9 135.0 25.8 31.7 -14.9 171 170 A P T 34 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.222 116.0 15.8 -52.5 130.1 24.8 32.6 -18.5 172 171 A G T 34 S+ 0 0 84 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.138 105.4 90.3 95.6 -19.4 22.9 29.9 -20.2 173 172 A W T <4 + 0 0 17 -3,-2.4 -66,-0.1 -57,-0.1 -58,-0.1 0.926 57.1 97.5 -73.1 -48.4 22.1 28.0 -17.0 174 173 A F < + 0 0 30 -4,-0.6 2,-0.4 -9,-0.1 -2,-0.1 -0.151 46.4 175.6 -54.7 130.8 18.8 29.5 -16.0 175 174 A T - 0 0 71 83,-0.0 -68,-0.5 2,-0.0 2,-0.1 -0.982 28.8-125.8-137.7 120.7 15.8 27.5 -17.0 176 175 A E - 0 0 54 -2,-0.4 -68,-0.1 1,-0.1 83,-0.0 -0.447 23.2-175.8 -70.1 140.3 12.3 28.6 -16.0 177 176 A S > + 0 0 20 -70,-0.2 4,-2.4 -2,-0.1 5,-0.3 -0.401 20.3 152.5-133.8 57.9 10.3 25.9 -14.2 178 177 A K H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 71.4 54.1 -58.2 -43.7 6.8 27.3 -13.6 179 178 A P H > S+ 0 0 36 0, 0.0 4,-1.1 0, 0.0 89,-0.3 0.940 115.8 36.1 -61.2 -47.1 4.9 24.0 -13.6 180 179 A I H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.949 118.4 51.2 -69.8 -49.1 7.0 22.3 -10.9 181 180 A Q H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.912 109.3 49.7 -53.8 -43.3 7.5 25.5 -8.9 182 181 A N H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.737 102.3 58.3 -84.4 -11.4 3.8 26.3 -8.7 183 182 A V H X S+ 0 0 29 -4,-1.1 4,-2.2 -3,-0.5 -1,-0.3 0.919 109.6 48.6 -64.0 -43.6 2.8 22.9 -7.6 184 183 A E H X S+ 0 0 50 -4,-1.8 4,-2.3 2,-0.2 -2,-0.3 0.869 105.7 55.6 -66.8 -36.2 5.1 23.8 -4.7 185 184 A S H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.956 109.7 47.0 -53.3 -50.2 3.4 27.1 -4.4 186 185 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.850 107.5 57.1 -60.2 -36.6 0.2 25.1 -4.0 187 186 A F H X S+ 0 0 55 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.900 104.8 52.2 -60.8 -43.4 2.0 22.9 -1.5 188 187 A I H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.947 111.2 45.6 -58.7 -48.1 2.8 25.9 0.6 189 188 A F H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.893 112.8 52.6 -60.2 -36.9 -0.9 27.0 0.6 190 189 A A H < S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.899 119.0 32.7 -65.9 -42.1 -1.9 23.4 1.4 191 190 A L H < S+ 0 0 5 -4,-2.5 36,-0.2 -5,-0.1 -2,-0.2 0.926 131.7 21.1 -86.1 -44.5 0.4 23.1 4.5 192 191 A V H < S+ 0 0 0 -4,-2.6 15,-2.4 -5,-0.3 19,-0.2 0.123 80.7 123.0-123.7 20.5 0.6 26.5 6.0 193 192 A S B < S-E 206 0D 0 -4,-1.2 2,-1.3 13,-0.3 13,-0.3 -0.508 78.3 -94.3 -72.7 158.5 -2.4 28.5 4.9 194 193 A D > + 0 0 11 11,-2.8 3,-1.7 1,-0.2 11,-0.2 -0.581 41.9 179.6 -85.1 92.7 -4.4 29.7 7.9 195 194 A F T 3 S+ 0 0 39 -2,-1.3 5,-0.2 1,-0.3 -1,-0.2 0.565 74.3 75.5 -68.5 -9.0 -7.1 27.2 8.5 196 195 A N T 3 S+ 0 0 108 4,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.542 77.8 89.2 -78.7 -8.2 -8.4 29.2 11.5 197 196 A L S X S- 0 0 55 -3,-1.7 3,-1.5 8,-0.1 8,-0.0 -0.729 86.3-124.5 -89.0 142.3 -9.9 31.8 9.0 198 197 A P T 3 S+ 0 0 140 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.753 106.9 41.7 -60.3 -28.1 -13.6 31.0 8.0 199 198 A D T 3> S+ 0 0 46 1,-0.2 4,-3.2 4,-0.1 -4,-0.1 -0.102 73.9 126.6-109.7 30.5 -12.9 31.0 4.2 200 199 A N T <4 S+ 0 0 7 -3,-1.5 -1,-0.2 1,-0.2 -5,-0.1 0.910 72.4 49.8 -58.1 -45.6 -9.6 29.1 4.2 201 200 A D T 4 S+ 0 0 115 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.902 121.3 33.5 -64.5 -40.5 -10.6 26.5 1.7 202 201 A E T 4 S+ 0 0 160 1,-0.2 -2,-0.2 0, 0.0 -1,-0.2 0.845 137.5 19.0 -80.8 -35.4 -11.9 29.0 -0.8 203 202 A N S < S- 0 0 66 -4,-3.2 -1,-0.2 2,-0.0 -2,-0.2 -0.460 80.7-168.1-136.6 62.0 -9.4 31.8 -0.2 204 203 A P - 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