==== 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 OXIDOREDUCTASE 01-SEP-95 1VNC . COMPND 2 MOLECULE: VANADIUM-CONTAINING CHLOROPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CURVULARIA INAEQUALIS; . AUTHOR A.MESSERSCHMIDT,R.WEVER . 576 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 59.4 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 . 32 5.6 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 26 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 8 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 3 A S 0 0 177 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -75.5 -26.8 2.0 -33.8 2 4 A V - 0 0 36 131,-0.1 128,-0.0 1,-0.0 0, 0.0 -0.566 360.0-119.2 -87.5 145.0 -25.3 2.8 -30.4 3 5 A T - 0 0 89 -2,-0.2 2,-0.1 3,-0.0 -1,-0.0 -0.829 37.7-126.7 -83.0 115.5 -24.1 -0.1 -28.3 4 6 A P - 0 0 63 0, 0.0 130,-0.0 0, 0.0 -1,-0.0 -0.429 20.5-112.2 -65.0 140.3 -26.3 0.4 -25.2 5 7 A I - 0 0 14 -2,-0.1 2,-0.7 129,-0.1 451,-0.2 -0.572 28.8-124.6 -72.2 128.1 -24.4 0.5 -21.9 6 8 A P - 0 0 39 0, 0.0 453,-0.4 0, 0.0 451,-0.1 -0.694 29.8-156.7 -76.9 115.2 -25.2 -2.6 -19.8 7 9 A L - 0 0 42 -2,-0.7 2,-0.1 451,-0.1 3,-0.1 -0.668 15.3-115.6 -94.6 143.2 -26.5 -1.3 -16.5 8 10 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.450 40.9 -90.1 -75.7 159.4 -26.4 -3.3 -13.3 9 11 A K - 0 0 130 -2,-0.1 2,-0.3 1,-0.1 436,-0.0 -0.295 36.4-124.1 -68.5 148.1 -29.6 -4.4 -11.5 10 12 A I - 0 0 32 2,-0.1 2,-1.4 -3,-0.1 -1,-0.1 -0.688 15.5-126.3 -91.7 140.4 -31.1 -2.2 -8.9 11 13 A D S S+ 0 0 45 -2,-0.3 427,-0.3 427,-0.1 -1,-0.0 -0.721 71.0 107.3 -87.8 90.4 -31.9 -3.6 -5.4 12 14 A E S S- 0 0 39 -2,-1.4 2,-0.1 425,-0.1 -2,-0.1 -0.949 79.7 -92.1-163.1 141.5 -35.5 -2.7 -5.2 13 15 A P > - 0 0 49 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.424 32.5-134.7 -58.9 132.1 -38.8 -4.7 -5.4 14 16 A E G > S+ 0 0 187 1,-0.3 3,-1.1 2,-0.2 4,-0.1 0.743 98.9 77.0 -61.3 -23.3 -39.9 -4.7 -9.1 15 17 A E G > S+ 0 0 94 1,-0.2 3,-2.0 2,-0.2 4,-0.3 0.793 77.6 71.7 -55.5 -35.3 -43.4 -3.8 -7.8 16 18 A Y G X S+ 0 0 7 -3,-1.6 3,-1.4 1,-0.3 -1,-0.2 0.870 91.1 59.2 -53.8 -39.2 -42.4 -0.2 -7.2 17 19 A N G < S+ 0 0 39 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.423 83.9 76.9 -77.6 6.7 -42.3 0.5 -10.9 18 20 A T G < S+ 0 0 59 -3,-2.0 2,-0.6 -4,-0.1 -1,-0.3 0.591 82.0 81.2 -84.6 -13.6 -46.0 -0.4 -11.5 19 21 A N S <> S- 0 0 0 -3,-1.4 4,-2.5 -4,-0.3 301,-0.1 -0.837 78.6-146.0 -92.4 126.2 -46.8 3.0 -10.0 20 22 A Y H > S+ 0 0 6 -2,-0.6 4,-1.5 300,-0.2 -1,-0.1 0.711 96.1 54.9 -67.2 -21.9 -46.4 5.7 -12.6 21 23 A I H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.939 113.6 41.9 -73.7 -45.7 -45.2 8.3 -10.2 22 24 A L H > S+ 0 0 0 -6,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.880 110.2 60.6 -66.4 -35.6 -42.4 6.0 -9.0 23 25 A F H X S+ 0 0 7 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.917 106.4 43.1 -58.5 -47.8 -41.7 5.0 -12.6 24 26 A W H X S+ 0 0 3 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.829 111.5 54.4 -69.3 -31.4 -40.9 8.5 -13.8 25 27 A N H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.955 108.2 52.0 -62.2 -48.6 -38.8 9.2 -10.7 26 28 A H H X S+ 0 0 27 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.853 106.2 51.9 -54.0 -42.1 -36.9 6.0 -11.6 27 29 A V H X S+ 0 0 4 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.917 108.3 52.0 -64.9 -38.7 -36.3 7.2 -15.2 28 30 A G H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.887 109.7 50.2 -64.0 -36.2 -34.9 10.4 -13.7 29 31 A L H X S+ 0 0 6 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.831 107.4 53.1 -71.3 -31.8 -32.6 8.3 -11.5 30 32 A E H X S+ 0 0 22 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.849 107.9 50.5 -72.0 -34.6 -31.4 6.3 -14.6 31 33 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.837 106.9 56.6 -69.5 -33.0 -30.5 9.4 -16.4 32 34 A N H X S+ 0 0 1 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.976 112.5 39.1 -62.8 -53.2 -28.6 10.6 -13.4 33 35 A R H X S+ 0 0 3 -4,-2.0 261,-0.8 1,-0.2 4,-0.6 0.861 117.7 49.3 -69.9 -31.6 -26.4 7.4 -13.3 34 36 A V H >X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 3,-1.1 0.925 107.4 53.2 -71.5 -44.9 -26.0 7.3 -17.1 35 37 A T H 3X>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.3 4,-1.2 0.840 109.4 51.0 -63.4 -26.4 -25.0 11.0 -17.5 36 38 A H H 3<5S+ 0 0 21 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.671 110.5 48.6 -83.5 -15.0 -22.3 10.4 -14.9 37 39 A T H <<5S+ 0 0 21 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.838 122.3 32.4 -88.2 -36.4 -21.0 7.3 -16.8 38 40 A V H <5S- 0 0 28 -4,-2.4 90,-0.3 93,-0.1 93,-0.2 0.516 107.1-115.9 -98.4 -6.8 -20.9 9.1 -20.2 39 41 A G T <5 + 0 0 41 -4,-1.2 89,-0.3 -5,-0.3 -3,-0.2 0.967 60.5 154.5 70.1 50.8 -20.1 12.7 -19.1 40 42 A G < - 0 0 3 -5,-2.2 3,-0.3 1,-0.2 -1,-0.1 -0.163 46.2 -56.0 -95.6-164.3 -23.4 14.2 -20.3 41 43 A P S S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.153 109.8 33.3 -72.0 169.3 -25.2 17.3 -19.1 42 44 A L S S+ 0 0 32 1,-0.2 2,-0.1 -3,-0.1 9,-0.1 0.800 77.3 154.7 54.5 43.8 -26.3 18.0 -15.5 43 45 A T + 0 0 53 -3,-0.3 4,-0.3 -8,-0.1 -1,-0.2 -0.485 31.5 55.2 -93.3 165.0 -23.5 16.3 -13.7 44 46 A G S > S- 0 0 11 -2,-0.1 4,-1.9 3,-0.1 5,-0.2 0.149 93.1 -81.3 94.0 152.0 -22.3 17.2 -10.2 45 47 A P H > S+ 0 0 19 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.915 120.2 45.9 -61.0 -47.6 -24.4 17.3 -7.0 46 48 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 298,-0.1 0.942 118.7 40.0 -63.4 -47.2 -26.1 20.7 -7.2 47 49 A L H > S+ 0 0 12 -4,-0.3 4,-1.8 1,-0.2 -3,-0.1 0.805 113.0 53.4 -71.7 -31.1 -27.2 20.5 -10.8 48 50 A S H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.809 109.0 52.4 -71.6 -25.4 -28.2 16.8 -10.7 49 51 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.2 292,-0.3 0.875 108.3 51.0 -72.9 -36.3 -30.4 17.8 -7.6 50 52 A R H X S+ 0 0 5 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.865 102.6 58.5 -69.0 -37.2 -32.0 20.6 -9.7 51 53 A A H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.903 111.0 43.4 -59.9 -40.6 -32.9 18.2 -12.6 52 54 A L H X S+ 0 0 3 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.799 110.5 54.5 -74.4 -33.5 -34.9 16.1 -10.1 53 55 A G H X S+ 0 0 0 -4,-1.6 4,-1.7 284,-0.2 -2,-0.2 0.971 111.3 46.0 -63.6 -48.4 -36.5 19.1 -8.5 54 56 A M H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 3,-0.4 0.928 110.2 53.2 -58.5 -48.1 -37.7 20.3 -11.9 55 57 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.901 113.3 43.1 -54.7 -48.1 -39.0 16.8 -12.9 56 58 A H H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.714 110.0 54.9 -74.6 -22.3 -41.0 16.5 -9.8 57 59 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 -3,-0.4 5,-0.2 0.937 111.0 46.7 -73.5 -45.9 -42.4 20.1 -9.9 58 60 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.921 115.3 46.4 -61.4 -41.5 -43.6 19.4 -13.5 59 61 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.905 110.2 54.2 -67.8 -40.3 -45.1 16.1 -12.3 60 62 A H H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.967 112.2 41.4 -58.5 -55.9 -46.7 17.7 -9.3 61 63 A D H X S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.816 112.7 52.8 -67.7 -28.6 -48.5 20.4 -11.2 62 64 A A H X S+ 0 0 0 -4,-1.9 4,-1.2 -5,-0.2 3,-0.4 0.967 115.7 41.8 -69.5 -46.8 -49.7 18.2 -14.1 63 65 A Y H >X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 3,-0.7 0.949 116.1 45.1 -63.1 -57.0 -51.2 15.7 -11.6 64 66 A F H 3< S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.602 107.4 60.2 -67.1 -11.4 -52.8 18.1 -9.1 65 67 A S H 3< S+ 0 0 26 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.785 114.8 35.3 -81.0 -35.6 -54.2 20.2 -11.9 66 68 A I H << S+ 0 0 27 -4,-1.2 -2,-0.2 -3,-0.7 -3,-0.1 0.789 131.2 32.7 -87.1 -30.1 -56.2 17.1 -13.1 67 69 A C S < S- 0 0 45 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.660 94.2-143.4-126.9 73.9 -56.8 15.7 -9.7 68 70 A P - 0 0 104 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 0.010 12.7-129.8 -43.1 131.6 -57.1 18.9 -7.5 69 71 A P - 0 0 35 0, 0.0 5,-0.1 0, 0.0 -5,-0.0 -0.404 4.4-136.5 -80.7 162.5 -55.7 18.7 -3.9 70 72 A T S S+ 0 0 147 -2,-0.1 0, 0.0 3,-0.1 0, 0.0 0.965 88.5 14.2 -87.1 -66.1 -57.5 19.6 -0.7 71 73 A D S S+ 0 0 149 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.982 123.6 41.0 -75.8 -70.6 -55.1 21.6 1.6 72 74 A F S S- 0 0 44 1,-0.1 2,-0.2 0, 0.0 494,-0.1 -0.140 73.8-146.6 -68.3-179.9 -52.2 22.6 -0.6 73 75 A T - 0 0 101 492,-0.3 -1,-0.1 1,-0.2 -8,-0.1 -0.686 37.1 -62.5-137.8 179.0 -52.5 23.8 -4.1 74 76 A T - 0 0 16 -2,-0.2 -1,-0.2 1,-0.1 -13,-0.0 -0.279 45.8-121.3 -62.7 159.6 -50.4 23.6 -7.3 75 77 A F S S+ 0 0 13 -18,-0.2 2,-0.2 492,-0.1 -1,-0.1 0.948 102.2 35.5 -67.1 -53.7 -47.0 25.2 -7.0 76 78 A L S S- 0 0 5 491,-0.1 10,-0.1 10,-0.0 -2,-0.1 -0.654 87.0-136.0 -95.0 160.0 -47.8 27.5 -9.9 77 79 A S B > -a 86 0A 53 8,-0.8 10,-1.9 -2,-0.2 3,-0.7 -0.890 9.1-139.9-118.7 152.6 -51.3 28.9 -10.5 78 80 A P T 3 S+ 0 0 48 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 0.740 101.4 53.6 -79.5 -22.7 -53.4 29.2 -13.7 79 81 A D T 3 S+ 0 0 157 7,-0.0 2,-0.2 0, 0.0 7,-0.1 0.272 78.2 125.7 -96.5 8.8 -54.8 32.6 -12.8 80 82 A T < - 0 0 34 -3,-0.7 -4,-0.0 5,-0.2 6,-0.0 -0.471 54.3-146.8 -74.1 139.7 -51.5 34.3 -12.2 81 83 A E S S+ 0 0 87 -2,-0.2 2,-0.4 4,-0.1 -1,-0.1 0.908 79.0 86.4 -69.1 -47.8 -50.8 37.5 -14.2 82 84 A N S > S- 0 0 79 1,-0.2 3,-1.0 3,-0.1 -2,-0.1 -0.450 71.9-152.1 -60.0 113.6 -47.0 37.0 -14.5 83 85 A A G > S+ 0 0 65 -2,-0.4 3,-1.5 1,-0.2 -1,-0.2 0.825 90.5 60.6 -58.3 -38.2 -46.8 34.8 -17.6 84 86 A A G 3 S+ 0 0 50 1,-0.3 -1,-0.2 85,-0.1 86,-0.1 0.735 111.6 40.6 -63.6 -25.0 -43.6 33.1 -16.5 85 87 A Y G < S+ 0 0 33 -3,-1.0 -8,-0.8 2,-0.1 2,-0.7 0.230 89.7 119.2-106.7 12.1 -45.4 31.8 -13.5 86 88 A R B < -a 77 0A 115 -3,-1.5 -3,-0.0 -10,-0.1 -10,-0.0 -0.717 54.3-147.3 -89.1 114.9 -48.6 31.0 -15.4 87 89 A L - 0 0 3 -10,-1.9 76,-0.1 -2,-0.7 -7,-0.1 -0.630 24.7-112.2 -80.8 128.6 -49.6 27.3 -15.3 88 90 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 75,-0.0 -0.124 30.5-117.4 -57.4 154.1 -51.4 26.0 -18.5 89 91 A S - 0 0 67 1,-0.1 73,-0.0 -11,-0.1 -24,-0.0 -0.753 9.1-142.5 -96.9 147.2 -55.1 25.1 -18.2 90 92 A P > - 0 0 43 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.905 22.2-177.2 -68.3 -55.2 -56.3 21.4 -18.9 91 93 A N T 3 S- 0 0 142 1,-0.3 3,-0.1 2,-0.1 -2,-0.0 0.913 81.1 -12.6 50.3 60.2 -59.6 22.3 -20.6 92 94 A G T 3 S+ 0 0 58 1,-0.4 2,-0.5 64,-0.0 -1,-0.3 0.136 97.5 129.4 109.9 -25.4 -60.8 18.7 -21.0 93 95 A A < + 0 0 11 -3,-0.7 -1,-0.4 1,-0.2 -2,-0.1 -0.577 21.0 157.6 -65.2 119.2 -57.6 16.8 -20.2 94 96 A N + 0 0 130 -2,-0.5 2,-0.9 -3,-0.1 -1,-0.2 0.362 36.7 97.9-127.3 -0.7 -58.8 14.3 -17.6 95 97 A D > - 0 0 66 1,-0.2 4,-1.7 2,-0.1 5,-0.1 -0.825 45.1-176.2 -98.4 102.9 -56.2 11.5 -17.8 96 98 A A H > S+ 0 0 7 -2,-0.9 4,-2.6 2,-0.2 5,-0.2 0.831 81.9 57.3 -62.8 -39.9 -53.6 12.0 -15.0 97 99 A R H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.941 111.8 41.9 -59.4 -46.1 -51.4 9.1 -16.0 98 100 A Q H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.818 112.0 55.0 -72.5 -28.6 -50.9 10.6 -19.5 99 101 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.946 111.3 45.0 -68.2 -45.1 -50.5 14.1 -18.1 100 102 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.941 111.6 51.5 -63.2 -45.9 -47.7 12.9 -15.9 101 103 A A H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.922 112.5 48.7 -57.3 -40.6 -46.1 10.9 -18.7 102 104 A G H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.892 113.5 43.4 -67.2 -44.9 -46.2 14.1 -20.8 103 105 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.947 117.8 47.3 -65.8 -45.4 -44.7 16.4 -18.2 104 106 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 5,-0.3 0.928 114.7 44.4 -60.8 -52.3 -42.0 13.8 -17.3 105 107 A L H X S+ 0 0 4 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.2 0.840 115.0 48.6 -63.9 -35.9 -41.0 13.0 -20.8 106 108 A K H X S+ 0 0 62 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.947 113.4 45.2 -70.4 -48.7 -41.0 16.7 -21.9 107 109 A M H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.962 116.4 44.7 -58.3 -53.8 -38.9 17.9 -19.0 108 110 A L H X S+ 0 0 3 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.892 112.6 53.7 -60.0 -39.0 -36.3 15.1 -19.2 109 111 A S H X S+ 0 0 41 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.920 111.9 44.3 -60.2 -47.4 -36.2 15.5 -22.9 110 112 A S H < S+ 0 0 15 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.904 115.7 48.1 -65.3 -43.1 -35.4 19.2 -22.6 111 113 A L H < S+ 0 0 12 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.916 123.1 28.6 -65.8 -46.0 -32.9 18.6 -19.8 112 114 A Y H < S+ 0 0 7 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.431 95.3 112.0-100.9 4.1 -30.9 15.8 -21.5 113 115 A M S < S- 0 0 103 -4,-1.2 20,-0.1 -5,-0.2 19,-0.0 -0.323 81.2 -88.5 -80.0 161.3 -31.3 16.6 -25.1 114 116 A K - 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0 0 60 17,-1.5 9,-3.4 -2,-0.3 17,-0.2 -0.635 42.1-127.3 -80.0 119.8 -18.8 13.6 23.5 508 510 A P B -K 515 0K 88 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.060 16.5-156.0 -69.2 159.0 -17.1 16.4 25.5 509 511 A T - 0 0 53 5,-0.9 5,-0.1 2,-0.6 4,-0.1 -0.756 40.4 -99.0-120.6 173.5 -14.1 16.5 27.8 510 512 A T S S+ 0 0 150 -2,-0.3 2,-0.5 2,-0.1 5,-0.1 0.729 107.0 84.7 -65.5 -23.9 -13.4 18.9 30.6 511 513 A T S > S- 0 0 83 3,-0.2 3,-1.3 1,-0.1 -2,-0.6 -0.717 92.3-116.4 -83.1 127.1 -11.1 20.7 28.1 512 514 A K T 3 S+ 0 0 150 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.441 92.8 7.0 -69.0 135.6 -13.1 23.1 26.0 513 515 A D T 3 S+ 0 0 19 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.485 106.3 107.6 71.6 6.9 -13.3 22.4 22.2 514 516 A V < - 0 0 35 -3,-1.3 -5,-0.9 -5,-0.1 2,-0.2 -0.960 57.5-151.5-116.9 126.8 -11.5 19.0 22.8 515 517 A Y B -K 508 0K 20 -2,-0.5 2,-0.1 -7,-0.2 -12,-0.0 -0.656 20.9 -85.9-107.3 159.1 -13.6 15.8 22.4 516 518 A A - 0 0 24 -9,-3.4 8,-2.2 -2,-0.2 2,-0.3 -0.272 36.4-172.7 -61.3 139.9 -13.6 12.3 23.8 517 519 A V B -L 523 0L 79 6,-0.2 6,-0.2 1,-0.1 5,-0.0 -0.948 17.5-128.9-134.0 141.1 -11.5 9.6 22.2 518 520 A D > - 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0 0 76 -28,-0.4 2,-1.6 -2,-0.1 3,-0.3 -0.992 30.2-137.0-137.2 125.1 -29.9 18.0 19.1 533 535 A Y + 0 0 39 -2,-0.4 -2,-0.0 -106,-0.2 -28,-0.0 -0.566 59.4 125.6 -85.7 77.8 -28.6 20.5 16.6 534 536 A T + 0 0 103 -2,-1.6 2,-0.4 -33,-0.1 -1,-0.2 0.648 29.2 106.8-108.1 -20.3 -28.6 23.6 18.9 535 537 A T - 0 0 26 -3,-0.3 13,-0.5 -34,-0.1 2,-0.2 -0.510 48.7-172.9 -71.6 119.5 -25.1 25.2 18.8 536 538 A R - 0 0 105 -2,-0.4 2,-0.2 11,-0.1 -2,-0.0 -0.717 3.6-159.3-107.6 163.5 -25.1 28.4 16.8 537 539 A G B -M 546 0M 9 9,-3.3 9,-3.0 -2,-0.2 2,-0.2 -0.787 16.4-101.4-136.9 177.0 -22.3 30.6 15.7 538 540 A T - 0 0 59 -2,-0.2 -297,-2.9 7,-0.2 2,-0.4 -0.551 17.8-148.1-103.4 162.0 -21.4 34.2 14.5 539 541 A R - 0 0 11 3,-0.7 3,-0.3 5,-0.4 5,-0.1 -0.979 15.3-138.3-125.6 145.0 -20.8 35.8 11.1 540 542 A E S S+ 0 0 134 -2,-0.4 -1,-0.1 1,-0.2 -300,-0.0 0.872 103.0 40.8 -68.8 -39.3 -18.4 38.7 10.6 541 543 A D S S+ 0 0 89 -3,-0.1 2,-0.3 1,-0.0 -1,-0.2 0.461 114.2 48.7 -90.3 -6.6 -20.8 40.5 8.1 542 544 A E S S- 0 0 63 -3,-0.3 -3,-0.7 2,-0.1 2,-0.3 -0.995 74.5-119.9-141.5 150.0 -24.2 39.9 9.8 543 545 A E S S+ 0 0 189 -2,-0.3 2,-0.2 -5,-0.1 -3,-0.1 -0.606 70.2 38.4 -89.8 141.4 -25.7 40.2 13.2 544 546 A G S S- 0 0 41 -2,-0.3 -5,-0.4 -5,-0.1 2,-0.4 -0.605 88.5 -63.2 116.6 179.7 -27.2 37.3 15.1 545 547 A L - 0 0 103 -2,-0.2 -7,-0.2 -7,-0.1 -2,-0.0 -0.844 48.9-167.9-107.0 145.0 -26.4 33.6 15.6 546 548 A F B -M 537 0M 27 -9,-3.0 -9,-3.3 -2,-0.4 -307,-0.2 -0.914 27.0 -89.9-134.2 157.4 -26.4 31.1 12.7 547 549 A P - 0 0 3 0, 0.0 -307,-2.6 0, 0.0 2,-0.5 -0.206 36.3-133.0 -62.8 157.2 -26.3 27.3 12.2 548 550 A I - 0 0 27 -13,-0.5 -47,-0.5 -309,-0.2 3,-0.1 -0.966 60.9 -11.0-117.5 122.0 -23.0 25.6 11.9 549 551 A G S > S- 0 0 0 -2,-0.5 4,-1.0 -309,-0.3 -50,-0.3 -0.102 92.2 -59.9 85.5 175.8 -22.3 23.0 9.1 550 552 A G H > S+ 0 0 0 -52,-2.6 4,-2.9 1,-0.2 5,-0.2 0.839 118.4 57.5 -69.1 -46.1 -24.6 21.3 6.6 551 553 A V H > S+ 0 0 1 -52,-2.3 4,-2.7 1,-0.2 5,-0.2 0.933 109.0 45.5 -55.5 -52.0 -27.2 19.3 8.6 552 554 A P H > S+ 0 0 12 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.865 114.2 51.3 -61.0 -34.9 -28.6 22.4 10.5 553 555 A L H X S+ 0 0 1 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.945 111.0 46.4 -65.8 -47.4 -28.6 24.3 7.3 554 556 A G H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.901 109.3 55.8 -60.6 -40.8 -30.6 21.5 5.5 555 557 A I H X S+ 0 0 22 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.930 109.3 46.7 -56.8 -45.9 -33.0 21.3 8.4 556 558 A E H X S+ 0 0 64 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.848 109.6 51.5 -69.5 -34.5 -33.8 25.0 8.2 557 559 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.942 112.3 48.7 -67.5 -42.6 -34.3 25.0 4.4 558 560 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.866 110.5 48.7 -63.8 -42.4 -36.8 22.0 4.7 559 561 A D H X S+ 0 0 39 -4,-2.0 4,-3.2 -5,-0.2 5,-0.2 0.929 111.8 50.4 -64.9 -43.6 -38.8 23.6 7.6 560 562 A E H X S+ 0 0 35 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.937 112.0 45.3 -59.3 -52.3 -39.2 26.8 5.6 561 563 A I H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 -1,-0.2 0.913 118.4 44.2 -59.4 -45.4 -40.4 25.2 2.4 562 564 A F H ><5S+ 0 0 60 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.930 110.6 52.5 -66.4 -47.6 -42.8 23.0 4.3 563 565 A N H 3<5S+ 0 0 101 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.804 111.4 48.9 -59.2 -31.0 -44.1 25.7 6.6 564 566 A N T 3<5S- 0 0 71 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.304 114.6-120.1 -90.8 4.5 -44.8 27.7 3.5 565 567 A G T < 5 - 0 0 31 -3,-2.0 -492,-0.3 1,-0.1 -3,-0.2 0.650 62.5 -57.7 65.6 28.9 -46.6 24.8 1.8 566 568 A L S - 0 0 22 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.387 26.1-133.7 -56.4 130.4 -40.9 35.5 -4.5 571 573 A P G > S+ 0 0 63 0, 0.0 3,-1.2 0, 0.0 -2,-0.1 0.750 102.2 69.8 -57.6 -23.1 -39.3 36.9 -7.7 572 574 A E G 3 S+ 0 0 156 1,-0.2 -3,-0.0 0, 0.0 0, 0.0 0.635 102.4 44.7 -69.0 -18.8 -38.4 40.1 -5.8 573 575 A I G < S+ 0 0 61 -3,-2.2 -1,-0.2 2,-0.1 3,-0.1 0.215 86.8 110.5-112.3 14.5 -35.9 38.1 -3.8 574 576 A Q S < S- 0 0 29 -3,-1.2 -345,-0.1 1,-0.1 -346,-0.1 -0.561 83.3 -75.3 -84.2 155.2 -34.2 36.1 -6.6 575 577 A P 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -348,-0.1 -0.169 360.0 360.0 -54.5 140.3 -30.6 37.0 -7.5 576 578 A M 0 0 151 -3,-0.1 -3,-0.0 0, 0.0 0, 0.0 -0.217 360.0 360.0 -63.1 360.0 -29.9 40.2 -9.5