==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HALOPEROXIDASE 14-JAN-99 1VNS . COMPND 2 MOLECULE: VANADIUM CHLOROPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CURVULARIA INAEQUALIS; . AUTHOR S.MACEDO-RIBEIRO,A.MESSERSCHMIDT . 574 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 5.4 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 . 3 0.5 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 . 1 0.2 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 . 31 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 0 1 0 0 1 0 0 0 0 2 2 0 4 0 1 0 0 1 0 0 0 0 0 0 0 1 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 . 7 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A V 0 0 114 0, 0.0 128,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.7 9.6 52.6 -27.1 2 5 A T - 0 0 87 1,-0.0 2,-0.1 3,-0.0 131,-0.0 -0.786 360.0-120.9 -85.4 117.5 11.9 54.5 -24.8 3 6 A P - 0 0 64 0, 0.0 130,-0.0 0, 0.0 -1,-0.0 -0.395 27.0-113.5 -60.1 129.9 12.7 52.3 -21.8 4 7 A I - 0 0 9 -2,-0.1 2,-1.0 1,-0.1 451,-0.2 -0.495 28.2-123.6 -65.1 127.4 11.7 53.9 -18.5 5 8 A P - 0 0 39 0, 0.0 453,-0.4 0, 0.0 -1,-0.1 -0.685 29.8-154.2 -76.7 104.2 14.9 54.6 -16.6 6 9 A L - 0 0 37 -2,-1.0 3,-0.1 451,-0.1 27,-0.0 -0.633 15.3-117.3 -82.3 134.4 14.3 52.7 -13.3 7 10 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 437,-0.0 -0.301 40.9 -83.9 -69.0 157.5 16.1 54.0 -10.2 8 11 A K - 0 0 195 1,-0.1 2,-0.4 2,-0.0 436,-0.0 -0.258 40.5-126.1 -61.2 144.1 18.6 51.8 -8.3 9 12 A I - 0 0 45 2,-0.1 2,-1.4 -3,-0.1 -1,-0.1 -0.756 16.3-126.4 -93.8 137.5 17.4 49.3 -5.8 10 13 A D S S+ 0 0 54 -2,-0.4 427,-0.4 427,-0.1 -1,-0.0 -0.659 71.1 93.8 -87.2 84.8 18.8 49.4 -2.3 11 14 A E S S- 0 0 41 -2,-1.4 -2,-0.1 425,-0.1 2,-0.1 -0.954 83.2 -77.1-164.8 153.4 20.0 45.9 -1.7 12 15 A P > - 0 0 48 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.352 33.8-133.6 -58.0 136.1 23.3 43.9 -2.1 13 16 A E G > S+ 0 0 184 1,-0.3 3,-0.8 2,-0.2 4,-0.1 0.802 101.0 71.6 -60.0 -30.8 24.1 43.0 -5.7 14 17 A E G > S+ 0 0 95 1,-0.2 3,-2.0 2,-0.2 4,-0.3 0.756 79.8 75.2 -58.7 -25.5 24.9 39.5 -4.6 15 18 A Y G X S+ 0 0 4 -3,-1.5 3,-1.8 1,-0.3 6,-0.2 0.933 91.8 53.7 -53.2 -49.4 21.2 38.7 -3.9 16 19 A N G < S+ 0 0 40 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.384 87.3 79.0 -70.7 4.6 20.5 38.4 -7.7 17 20 A T G < S+ 0 0 60 -3,-2.0 2,-0.6 -4,-0.1 -1,-0.3 0.603 81.8 78.7 -83.1 -13.7 23.2 35.8 -8.1 18 21 A N S <> S- 0 0 0 -3,-1.8 4,-2.5 -4,-0.3 301,-0.1 -0.855 80.3-145.9 -93.2 125.1 20.7 33.3 -6.7 19 22 A Y H > S+ 0 0 2 -2,-0.6 4,-2.0 300,-0.3 5,-0.2 0.774 96.6 54.9 -66.1 -25.3 18.2 32.4 -9.4 20 23 A I H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.954 113.4 42.9 -70.5 -46.7 15.2 32.1 -7.0 21 24 A L H > S+ 0 0 0 -6,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.878 110.3 58.1 -65.5 -36.9 15.9 35.6 -5.8 22 25 A F H X S+ 0 0 6 -4,-2.5 4,-2.1 -7,-0.2 -1,-0.2 0.950 108.1 44.0 -58.7 -50.4 16.5 36.8 -9.3 23 26 A W H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.849 111.9 53.3 -65.2 -32.5 13.1 35.7 -10.6 24 27 A N H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.956 108.8 51.4 -62.9 -47.3 11.4 37.2 -7.4 25 28 A H H X S+ 0 0 23 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.866 107.2 52.5 -55.7 -41.3 13.2 40.4 -8.3 26 29 A V H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.938 107.9 51.1 -62.9 -45.1 11.8 40.2 -11.9 27 30 A G H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.900 110.9 49.1 -58.5 -39.7 8.3 39.9 -10.5 28 31 A L H X S+ 0 0 6 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.849 108.1 53.9 -68.6 -34.8 9.0 42.9 -8.3 29 32 A E H X S+ 0 0 20 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.914 108.8 47.8 -65.1 -42.9 10.3 44.9 -11.3 30 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.884 108.1 58.4 -64.7 -36.3 7.1 44.1 -13.2 31 34 A N H X S+ 0 0 1 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.975 111.9 38.2 -57.5 -55.3 5.2 45.2 -10.1 32 35 A R H < S+ 0 0 4 -4,-2.3 261,-0.7 1,-0.2 262,-0.3 0.876 116.8 50.5 -67.6 -35.9 6.7 48.7 -10.1 33 36 A V H >X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 3,-1.6 0.929 107.3 53.2 -67.9 -42.9 6.7 49.1 -13.9 34 37 A T H 3X>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.3 4,-1.4 0.837 109.1 50.4 -63.1 -28.6 3.0 48.2 -14.2 35 38 A H H 3<5S+ 0 0 19 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.518 111.1 49.4 -85.8 -4.8 2.2 50.8 -11.6 36 39 A T H <45S+ 0 0 21 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.747 123.2 29.6 -98.0 -35.1 4.2 53.4 -13.5 37 40 A V H <5S- 0 0 25 -4,-2.3 90,-0.3 -5,-0.1 -2,-0.2 0.507 107.6-114.8-103.1 -8.1 2.6 52.7 -16.9 38 41 A G T <5 + 0 0 41 -4,-1.4 89,-0.3 -5,-0.3 -3,-0.2 0.967 61.1 153.0 72.1 53.8 -0.9 51.5 -15.8 39 42 A G < - 0 0 5 -5,-2.2 3,-0.4 1,-0.2 2,-0.1 -0.009 46.5 -51.3 -97.2-157.7 -0.6 48.0 -17.0 40 43 A P S S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.327 112.0 31.3 -77.2 163.1 -2.2 44.7 -15.8 41 44 A L S S+ 0 0 30 1,-0.2 2,-0.1 132,-0.1 9,-0.1 0.829 79.2 157.9 61.0 38.0 -2.3 43.4 -12.2 42 45 A T + 0 0 54 -3,-0.4 4,-0.3 -8,-0.1 -1,-0.2 -0.478 32.3 50.4 -86.4 164.3 -2.3 46.8 -10.6 43 46 A G S > S- 0 0 10 -2,-0.1 4,-1.6 3,-0.1 5,-0.2 0.004 93.8 -77.0 91.0 159.0 -3.6 47.4 -7.1 44 47 A P H > S+ 0 0 19 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.950 120.4 42.0 -60.7 -58.4 -2.8 45.6 -3.8 45 48 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 298,-0.2 0.921 119.1 42.3 -60.9 -45.2 -4.7 42.3 -3.9 46 49 A L H > S+ 0 0 8 -4,-0.3 4,-2.4 2,-0.2 -3,-0.1 0.854 112.0 53.5 -71.7 -33.2 -4.0 41.4 -7.6 47 50 A S H X S+ 0 0 1 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.893 110.3 49.5 -66.9 -35.3 -0.4 42.5 -7.4 48 51 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 292,-0.3 0.952 108.7 52.6 -64.2 -47.8 -0.1 40.1 -4.4 49 52 A R H X S+ 0 0 4 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.900 104.4 56.4 -54.4 -45.2 -1.8 37.3 -6.4 50 53 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.924 110.3 44.1 -53.8 -47.0 0.7 37.8 -9.3 51 54 A L H X S+ 0 0 3 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.850 111.6 53.3 -68.3 -36.1 3.6 37.2 -6.8 52 55 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 284,-0.3 -2,-0.2 0.942 111.8 45.7 -63.5 -45.1 1.8 34.2 -5.2 53 56 A M H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.910 111.7 52.2 -63.7 -44.3 1.3 32.6 -8.7 54 57 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.957 114.7 41.3 -56.8 -52.5 4.9 33.3 -9.7 55 58 A H H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.772 110.7 55.4 -71.8 -23.7 6.3 31.7 -6.5 56 59 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.939 111.7 45.9 -71.1 -43.8 3.8 28.8 -6.6 57 60 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.934 114.8 46.1 -62.5 -49.0 5.0 28.0 -10.1 58 61 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.935 112.1 54.3 -58.8 -45.1 8.7 28.4 -9.2 59 62 A H H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.934 112.2 39.7 -54.8 -56.8 8.0 26.2 -6.1 60 63 A D H X S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.847 114.3 53.5 -67.9 -32.2 6.5 23.2 -7.9 61 64 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.2 3,-0.5 0.971 115.5 40.8 -64.3 -50.4 9.0 23.4 -10.8 62 65 A Y H X S+ 0 0 4 -4,-2.6 4,-2.8 1,-0.2 3,-0.5 0.941 116.2 46.9 -62.5 -53.3 11.9 23.3 -8.4 63 66 A F H < S+ 0 0 8 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.593 105.8 60.1 -70.2 -10.7 10.6 20.8 -5.9 64 67 A S H < S+ 0 0 23 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.841 114.2 37.1 -79.7 -36.2 9.6 18.5 -8.7 65 68 A I H < S+ 0 0 25 -4,-1.3 -2,-0.2 -3,-0.5 -3,-0.1 0.823 130.6 31.6 -83.3 -33.4 13.2 18.4 -9.8 66 69 A C S < S- 0 0 43 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.745 92.0-145.6-126.0 80.8 14.6 18.4 -6.3 67 70 A P - 0 0 99 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.185 12.7-134.0 -51.1 127.5 12.0 16.5 -4.2 68 71 A P - 0 0 34 0, 0.0 5,-0.1 0, 0.0 -5,-0.0 -0.442 8.3-154.4 -81.7 158.7 11.6 17.9 -0.6 69 72 A T S S+ 0 0 140 -2,-0.1 3,-0.0 3,-0.1 0, 0.0 0.798 88.6 46.8-102.4 -39.6 11.4 15.7 2.5 70 73 A D S S+ 0 0 152 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.526 125.4 4.8 -82.9 -7.4 9.5 17.8 5.1 71 74 A F S S- 0 0 48 494,-0.0 2,-0.2 0, 0.0 494,-0.1 -0.904 71.5-121.3-158.4-177.0 6.7 18.8 2.7 72 75 A T - 0 0 101 492,-0.4 2,-0.1 -2,-0.3 4,-0.1 -0.683 39.9 -71.5-129.1 180.0 5.5 18.2 -0.9 73 76 A T - 0 0 23 -2,-0.2 -1,-0.1 1,-0.1 -13,-0.1 -0.421 43.4-120.4 -70.5 150.8 4.7 20.1 -4.1 74 77 A F S S+ 0 0 11 -18,-0.2 2,-0.3 492,-0.1 -1,-0.1 0.941 102.2 37.1 -56.8 -50.6 1.6 22.3 -3.9 75 78 A L S S- 0 0 4 491,-0.1 10,-0.1 10,-0.0 -2,-0.1 -0.742 86.6-130.6-102.3 153.4 0.1 20.3 -6.8 76 79 A S B > -a 85 0A 46 8,-0.7 10,-2.5 -2,-0.3 3,-1.0 -0.821 5.5-143.4-106.9 142.1 0.5 16.6 -7.3 77 80 A P T 3 S+ 0 0 38 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 0.633 103.5 55.7 -74.9 -13.3 1.5 14.9 -10.5 78 81 A D T 3 S+ 0 0 144 9,-0.1 2,-0.4 7,-0.0 7,-0.1 0.166 75.9 128.1-104.6 15.0 -0.9 12.1 -9.7 79 82 A T < - 0 0 42 -3,-1.0 6,-0.0 5,-0.2 5,-0.0 -0.601 50.2-152.7 -76.8 128.9 -4.0 14.2 -9.3 80 83 A E S S+ 0 0 88 -2,-0.4 2,-0.8 4,-0.1 -1,-0.2 0.841 78.5 87.7 -66.9 -36.8 -6.9 12.9 -11.3 81 84 A N S > S- 0 0 80 1,-0.2 3,-1.6 3,-0.1 4,-0.4 -0.568 72.2-154.4 -68.4 106.7 -8.4 16.4 -11.5 82 85 A A G > S+ 0 0 64 -2,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.853 91.1 61.2 -50.3 -40.5 -6.6 17.8 -14.6 83 86 A A G 3 S+ 0 0 46 1,-0.3 -1,-0.3 -3,-0.1 86,-0.2 0.775 115.2 34.3 -60.4 -27.2 -6.9 21.4 -13.3 84 87 A Y G < S+ 0 0 26 -3,-1.6 -8,-0.7 2,-0.1 2,-0.6 0.235 90.2 117.9-111.1 9.7 -4.8 20.4 -10.3 85 88 A R B < -a 76 0A 105 -3,-1.4 -10,-0.0 -4,-0.4 -5,-0.0 -0.713 56.8-142.6 -86.3 119.3 -2.5 17.9 -12.0 86 89 A L - 0 0 2 -10,-2.5 -7,-0.1 -2,-0.6 76,-0.1 -0.572 23.8-112.7 -78.5 134.5 1.1 18.9 -11.8 87 90 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 -0.305 31.3-119.2 -63.5 153.0 3.2 18.0 -15.0 88 91 A S - 0 0 48 1,-0.1 4,-0.1 -11,-0.1 73,-0.0 -0.729 4.4-137.4 -98.1 146.2 5.9 15.4 -14.6 89 92 A P > - 0 0 40 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.868 25.2-169.8 -64.8 -42.4 9.6 16.0 -15.2 90 93 A N T 3 S- 0 0 149 1,-0.3 3,-0.1 2,-0.1 -2,-0.0 0.893 79.0 -23.7 48.5 52.1 10.1 12.7 -17.1 91 94 A G T 3 S+ 0 0 66 1,-0.4 -1,-0.3 64,-0.0 64,-0.1 -0.093 102.8 127.9 110.9 -38.3 13.9 13.0 -17.2 92 95 A A < + 0 0 12 -3,-1.7 -1,-0.4 1,-0.1 -2,-0.1 -0.309 21.8 161.8 -54.3 132.9 14.3 16.8 -16.8 93 96 A N + 0 0 132 -3,-0.1 2,-0.9 -4,-0.1 -1,-0.1 0.152 33.4 108.0-144.6 21.5 16.7 17.5 -14.0 94 97 A D > - 0 0 68 1,-0.2 4,-2.4 2,-0.1 3,-0.2 -0.841 40.9-176.1-106.5 95.5 18.0 21.1 -14.3 95 98 A A H > S+ 0 0 7 -2,-0.9 4,-2.9 1,-0.2 5,-0.2 0.853 81.5 58.3 -58.5 -37.5 16.2 23.0 -11.5 96 99 A R H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 112.2 39.2 -59.7 -46.5 17.7 26.3 -12.7 97 100 A Q H > S+ 0 0 10 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.837 113.3 55.9 -73.8 -33.5 16.1 25.9 -16.1 98 101 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.944 110.7 44.6 -62.3 -47.5 12.9 24.5 -14.7 99 102 A V H X S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.2 5,-0.2 0.915 112.4 52.4 -62.9 -43.0 12.6 27.6 -12.5 100 103 A A H X S+ 0 0 2 -4,-2.0 4,-3.1 -5,-0.2 5,-0.3 0.938 111.1 46.6 -59.0 -48.0 13.4 29.9 -15.4 101 104 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.913 115.2 46.2 -60.6 -45.0 10.8 28.3 -17.6 102 105 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.948 116.4 44.6 -62.4 -49.4 8.2 28.5 -14.8 103 106 A A H X S+ 0 0 0 -4,-3.3 4,-2.6 2,-0.2 5,-0.3 0.935 116.2 44.9 -62.3 -50.7 9.0 32.1 -13.9 104 107 A L H X S+ 0 0 4 -4,-3.1 4,-2.4 -5,-0.2 5,-0.2 0.920 115.5 46.6 -62.2 -45.6 9.2 33.4 -17.5 105 108 A K H X S+ 0 0 66 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.937 114.9 46.6 -63.4 -47.1 6.0 31.6 -18.7 106 109 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.946 115.4 44.8 -60.4 -50.2 4.0 32.7 -15.6 107 110 A L H X S+ 0 0 2 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.878 114.2 49.9 -63.4 -38.6 5.2 36.4 -15.8 108 111 A S H X S+ 0 0 24 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.935 112.1 47.0 -65.2 -46.9 4.6 36.5 -19.6 109 112 A S H < S+ 0 0 34 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.910 116.6 46.6 -60.3 -42.1 1.1 35.0 -19.2 110 113 A L H < S+ 0 0 11 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.914 125.5 25.1 -67.1 -46.3 0.4 37.5 -16.5 111 114 A Y H < S+ 0 0 4 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.567 95.6 95.6-101.7 -10.7 1.8 40.7 -18.1 112 115 A M S < S- 0 0 107 -4,-2.6 20,-0.0 -5,-0.2 19,-0.0 -0.481 90.5 -81.3 -80.9 155.9 1.6 40.2 -21.9 113 116 A K - 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0 0 62 17,-1.7 9,-3.5 9,-0.3 17,-0.2 -0.759 41.1-133.6 -83.7 121.3 -2.2 52.3 26.4 507 510 A P B -K 514 0K 85 0, 0.0 2,-0.2 0, 0.0 7,-0.2 -0.180 17.0-160.0 -74.6 164.6 -5.5 52.2 28.4 508 511 A T - 0 0 59 5,-0.7 4,-0.1 2,-0.6 5,-0.1 -0.695 42.9 -89.2-128.0-176.3 -6.8 54.8 30.9 509 512 A T S S+ 0 0 152 -2,-0.2 2,-0.5 2,-0.1 5,-0.1 0.668 108.7 82.9 -71.9 -15.9 -9.4 54.6 33.7 510 513 A T S > S- 0 0 79 3,-0.3 3,-1.5 1,-0.0 -2,-0.6 -0.797 91.8-114.9 -92.9 125.7 -12.0 55.6 31.0 511 514 A K T 3 S+ 0 0 140 -2,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.333 93.4 0.8 -63.9 135.3 -13.2 52.6 29.0 512 515 A D T 3 S+ 0 0 17 1,-0.2 2,-0.6 -4,-0.1 -1,-0.3 0.470 106.5 108.7 66.8 4.5 -12.4 52.7 25.3 513 516 A V < - 0 0 36 -3,-1.5 -5,-0.7 -5,-0.1 -3,-0.3 -0.953 58.2-154.5-112.3 120.4 -10.5 56.0 25.8 514 517 A Y B -K 507 0K 14 -2,-0.6 -12,-0.0 -7,-0.2 -5,-0.0 -0.574 20.0 -85.4-101.6 162.3 -6.8 55.6 25.5 515 518 A A - 0 0 21 -9,-3.5 8,-2.2 -2,-0.2 2,-0.3 -0.269 37.2-176.6 -63.9 143.4 -3.7 57.4 26.8 516 519 A V B -L 522 0L 78 6,-0.3 6,-0.2 1,-0.1 2,-0.0 -0.907 24.3-115.7-134.4 156.1 -2.1 60.4 25.1 517 520 A D > - 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0 0 74 -28,-0.4 2,-1.7 -2,-0.2 3,-0.3 -0.992 31.9-138.0-136.2 125.6 -0.6 40.5 21.9 532 535 A Y + 0 0 35 -2,-0.4 -2,-0.0 -106,-0.2 15,-0.0 -0.543 60.6 124.9 -87.4 76.1 -3.5 40.4 19.5 533 536 A T + 0 0 90 -2,-1.7 2,-0.6 -33,-0.1 -1,-0.2 0.589 30.1 105.8-108.7 -18.6 -6.0 38.8 21.8 534 537 A T - 0 0 29 -3,-0.3 13,-0.6 -34,-0.1 2,-0.2 -0.589 48.1-178.6 -74.0 115.8 -9.0 41.1 21.8 535 538 A R E -M 546 0M 150 -2,-0.6 2,-0.3 11,-0.2 -2,-0.1 -0.683 7.3-160.1-110.5 164.3 -11.9 39.7 19.8 536 539 A G E -M 545 0M 8 9,-3.0 9,-3.4 -2,-0.2 2,-0.1 -0.839 19.7 -93.9-138.0 176.4 -15.4 40.9 19.0 537 540 A T - 0 0 57 -2,-0.3 -297,-2.9 7,-0.2 2,-0.4 -0.396 21.0-144.4 -94.0 165.3 -18.8 39.8 17.8 538 541 A R - 0 0 13 3,-0.7 3,-0.2 5,-0.5 5,-0.1 -0.992 11.5-143.3-128.4 138.6 -20.5 39.6 14.4 539 542 A E S S+ 0 0 130 -2,-0.4 -1,-0.1 1,-0.2 -300,-0.0 0.898 103.1 40.3 -65.5 -41.2 -24.2 40.2 13.8 540 543 A D S S+ 0 0 91 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.514 115.9 47.9 -87.8 -10.6 -24.4 37.4 11.2 541 544 A E S S- 0 0 62 -3,-0.2 -3,-0.7 2,-0.1 2,-0.2 -0.977 77.3-116.9-136.5 150.4 -22.2 34.8 12.9 542 545 A E S S+ 0 0 188 -2,-0.3 2,-0.2 -5,-0.1 -3,-0.1 -0.561 71.6 24.9 -83.1 146.4 -21.9 33.2 16.3 543 546 A G S S- 0 0 47 -2,-0.2 -5,-0.5 -5,-0.1 2,-0.4 -0.481 92.3 -50.4 103.1-175.3 -18.8 33.5 18.4 544 547 A L - 0 0 90 -2,-0.2 -7,-0.2 -7,-0.1 -2,-0.1 -0.870 49.3-169.0-106.0 139.3 -15.8 35.9 18.7 545 548 A F E -M 536 0M 27 -9,-3.4 -9,-3.0 -2,-0.4 -307,-0.2 -0.866 29.7 -90.5-126.2 157.5 -13.8 37.1 15.7 546 549 A P E -M 535 0M 11 0, 0.0 -307,-2.8 0, 0.0 2,-0.5 -0.222 35.9-133.8 -64.3 156.0 -10.5 38.9 15.3 547 550 A I - 0 0 25 -13,-0.6 -47,-0.6 -309,-0.2 3,-0.1 -0.967 62.2 -2.1-116.4 125.0 -10.5 42.8 15.1 548 551 A G S > S- 0 0 0 -2,-0.5 4,-1.2 -309,-0.2 -50,-0.3 -0.008 90.6 -69.6 87.4 167.4 -8.5 44.5 12.4 549 552 A G H > S+ 0 0 0 -52,-2.6 4,-2.9 1,-0.2 5,-0.2 0.850 118.3 62.8 -67.0 -39.8 -6.2 43.4 9.7 550 553 A V H > S+ 0 0 0 -52,-2.7 4,-2.7 1,-0.2 5,-0.2 0.947 106.8 43.0 -54.3 -54.5 -3.2 42.2 11.8 551 554 A P H > S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.882 114.2 53.3 -59.0 -39.8 -5.1 39.4 13.6 552 555 A L H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.945 110.9 45.4 -59.9 -49.4 -6.7 38.4 10.3 553 556 A G H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.910 110.5 54.1 -61.1 -45.0 -3.3 38.2 8.5 554 557 A I H X S+ 0 0 20 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.934 109.6 48.0 -54.8 -48.2 -1.8 36.2 11.4 555 558 A E H X S+ 0 0 83 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.855 110.3 51.5 -62.9 -38.1 -4.6 33.7 11.3 556 559 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.945 111.7 46.5 -65.1 -46.6 -4.3 33.3 7.5 557 560 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.937 113.3 49.2 -61.1 -48.4 -0.5 32.6 7.7 558 561 A D H X S+ 0 0 35 -4,-2.6 4,-3.1 -5,-0.2 -1,-0.2 0.904 111.3 48.8 -58.1 -46.2 -0.9 30.2 10.6 559 562 A E H X S+ 0 0 33 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.938 114.2 45.4 -60.2 -49.1 -3.7 28.2 8.8 560 563 A I H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 -2,-0.2 0.943 117.0 44.5 -59.5 -49.8 -1.6 28.0 5.6 561 564 A F H ><5S+ 0 0 58 -4,-2.9 3,-2.3 1,-0.2 -2,-0.2 0.932 109.7 54.9 -61.3 -49.8 1.6 27.0 7.4 562 565 A N H 3<5S+ 0 0 104 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.832 109.6 48.1 -54.1 -35.7 -0.2 24.5 9.7 563 566 A N T 3<5S- 0 0 64 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.362 114.8-118.9 -87.5 3.4 -1.5 22.7 6.6 564 567 A G T < 5 - 0 0 32 -3,-2.3 -492,-0.4 1,-0.1 -3,-0.2 0.765 64.3 -59.3 65.1 31.7 1.9 22.7 5.0 565 568 A L S - 0 0 31 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.355 27.4-133.9 -54.4 127.3 -10.3 22.5 -1.2 570 573 A P G > S+ 0 0 58 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 0.871 104.1 64.4 -51.6 -35.3 -12.2 23.0 -4.5 571 574 A E G 3 S+ 0 0 154 1,-0.3 -3,-0.0 0, 0.0 0, 0.0 0.759 103.4 46.1 -60.4 -29.2 -15.4 22.4 -2.6 572 575 A I G < S+ 0 0 66 -3,-1.9 -1,-0.3 2,-0.1 -343,-0.0 0.303 85.6 111.2 -99.6 8.7 -14.9 25.5 -0.5 573 576 A Q < 0 0 28 -3,-1.7 -345,-0.1 -4,-0.3 -346,-0.1 -0.496 360.0 360.0 -76.8 151.4 -14.0 27.8 -3.4 574 577 A P 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -348,-0.1 -0.345 360.0 360.0 -59.5 360.0 -16.7 30.5 -4.1