==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-AUG-11 3TD7 . COMPND 2 MOLECULE: FAD-LINKED SULFHYDRYL OXIDASE R596; . SOURCE 2 ORGANISM_SCIENTIFIC: ACANTHAMOEBA POLYPHAGA MIMIVIRUS; . AUTHOR M.HAKIM,D.FASS . 253 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 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 . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 49.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 2 0 1 1 1 1 1 0 1 0 0 0 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 32 A H 0 0 154 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-106.4 22.1 -63.1 8.3 2 33 A N - 0 0 157 1,-0.2 2,-0.1 47,-0.0 47,-0.0 0.011 360.0 -84.2 -90.1-162.9 19.9 -60.5 6.6 3 34 A G - 0 0 46 1,-0.1 2,-0.3 -2,-0.0 -1,-0.2 -0.102 57.9 -79.4 -89.1-165.1 17.8 -57.6 7.9 4 35 A L - 0 0 109 44,-2.7 -1,-0.1 1,-0.1 2,-0.1 -0.793 52.7 -85.1-105.5 148.4 14.3 -57.9 9.3 5 36 A I >> - 0 0 123 -2,-0.3 3,-2.3 1,-0.2 4,-1.5 -0.236 35.8-141.6 -49.4 116.8 11.1 -58.3 7.3 6 37 A T H 3> S+ 0 0 72 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.801 97.9 58.2 -53.7 -35.3 9.9 -54.7 6.5 7 38 A K H 34 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.523 106.3 50.7 -76.6 -3.0 6.3 -55.5 7.1 8 39 A I H <4 S+ 0 0 125 -3,-2.3 4,-0.3 2,-0.1 -2,-0.2 0.861 123.6 22.9 -96.5 -48.3 7.0 -56.5 10.6 9 40 A W H X S+ 0 0 53 -4,-1.5 4,-2.1 1,-0.1 -2,-0.2 0.669 103.8 84.0 -93.6 -16.9 9.0 -53.5 11.9 10 41 A G H X S+ 0 0 13 -4,-2.1 4,-2.3 -5,-0.3 5,-0.1 0.878 89.1 46.0 -53.1 -52.3 7.8 -50.8 9.5 11 42 A T H > S+ 0 0 66 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.871 113.8 48.7 -63.2 -40.0 4.6 -49.7 11.2 12 43 A A H > S+ 0 0 68 -4,-0.3 4,-2.4 1,-0.2 5,-0.3 0.897 109.8 55.2 -67.0 -38.2 6.2 -49.5 14.6 13 44 A G H X S+ 0 0 21 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.930 113.0 40.2 -59.7 -46.6 9.0 -47.5 13.0 14 45 A W H X S+ 0 0 52 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.950 114.6 50.3 -68.8 -49.9 6.6 -45.0 11.6 15 46 A T H X S+ 0 0 40 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.925 115.6 43.3 -55.3 -46.7 4.3 -44.7 14.6 16 47 A F H X S+ 0 0 124 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.950 116.0 46.0 -66.2 -49.5 7.2 -44.1 17.0 17 48 A N H X S+ 0 0 10 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.828 111.8 50.7 -66.9 -30.4 9.1 -41.7 14.8 18 49 A H H X S+ 0 0 4 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.878 110.1 52.1 -70.9 -35.0 6.0 -39.6 13.9 19 50 A A H X S+ 0 0 43 -4,-1.7 4,-0.5 -5,-0.3 -2,-0.2 0.860 104.9 56.6 -65.6 -35.1 5.4 -39.5 17.7 20 51 A V H >< S+ 0 0 27 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.950 105.7 49.7 -61.6 -47.2 8.9 -38.3 18.1 21 52 A T H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.3 58,-0.2 0.831 108.2 52.4 -63.6 -32.5 8.3 -35.3 15.8 22 53 A F H 3< S+ 0 0 10 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.558 102.1 61.4 -79.7 -5.5 5.1 -34.3 17.6 23 54 A G T << S+ 0 0 43 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.294 81.5 115.0 -98.0 7.3 7.1 -34.3 20.8 24 55 A Y S < S- 0 0 0 -3,-1.2 51,-0.1 1,-0.1 55,-0.0 -0.537 76.3-101.0 -78.0 142.5 9.3 -31.6 19.4 25 56 A P - 0 0 39 0, 0.0 50,-0.3 0, 0.0 -1,-0.1 -0.210 16.6-128.7 -62.2 152.1 9.2 -28.2 21.1 26 57 A L S S+ 0 0 110 1,-0.3 49,-0.2 48,-0.2 50,-0.2 0.813 110.1 28.3 -70.2 -27.9 7.2 -25.3 19.6 27 58 A N S S- 0 0 138 47,-0.1 -1,-0.3 48,-0.1 47,-0.1 -0.648 87.4-163.9-132.3 76.3 10.4 -23.2 20.0 28 59 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 -0.032 13.4-129.9 -56.4 165.5 13.4 -25.5 19.8 29 60 A T > - 0 0 62 1,-0.1 4,-2.6 0, 0.0 5,-0.3 -0.766 32.5 -99.6-111.6 160.8 16.8 -24.2 20.9 30 61 A S H > S+ 0 0 91 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.869 130.3 51.9 -47.8 -34.1 20.0 -24.4 18.9 31 62 A D H > S+ 0 0 76 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.929 107.7 48.0 -69.4 -46.5 20.6 -27.4 21.2 32 63 A D H > S+ 0 0 26 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.971 111.0 51.9 -57.1 -54.8 17.2 -29.1 20.5 33 64 A K H X S+ 0 0 63 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.885 113.2 44.4 -48.0 -47.1 17.7 -28.6 16.7 34 65 A R H X S+ 0 0 126 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.899 112.8 51.8 -68.0 -39.8 21.1 -30.2 16.9 35 66 A R H X S+ 0 0 145 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.909 115.0 39.8 -64.4 -44.8 19.8 -33.1 19.1 36 67 A Y H X S+ 0 0 58 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.912 113.5 54.0 -71.3 -43.7 16.9 -34.0 16.9 37 68 A K H X S+ 0 0 55 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.941 109.4 48.3 -55.6 -49.3 18.7 -33.6 13.6 38 69 A N H X S+ 0 0 83 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.834 110.6 53.3 -60.8 -33.1 21.5 -35.9 14.8 39 70 A Y H X S+ 0 0 81 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.975 111.3 43.3 -65.6 -54.9 18.8 -38.4 15.9 40 71 A F H X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.801 112.9 53.7 -63.3 -26.5 17.1 -38.4 12.5 41 72 A I H >< S+ 0 0 70 -4,-2.3 3,-0.7 -5,-0.3 4,-0.3 0.940 110.6 46.3 -71.3 -44.7 20.5 -38.6 10.8 42 73 A S H >X S+ 0 0 67 -4,-2.3 3,-1.6 1,-0.2 4,-0.9 0.767 98.1 71.3 -67.1 -26.0 21.4 -41.7 12.9 43 74 A L H >X S+ 0 0 14 -4,-1.9 4,-1.4 1,-0.3 3,-1.1 0.918 92.6 59.0 -55.7 -41.0 18.0 -43.2 12.2 44 75 A G H << S+ 0 0 0 -4,-0.9 -1,-0.3 -3,-0.7 13,-0.2 0.679 102.6 53.1 -62.6 -18.2 19.3 -43.7 8.7 45 76 A D H <4 S+ 0 0 94 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.693 113.1 40.3 -90.6 -18.9 22.1 -45.9 10.0 46 77 A V H << + 0 0 100 -3,-1.1 -2,-0.2 -4,-0.9 -3,-0.1 0.589 68.1 125.4-110.0 -11.4 20.0 -48.3 12.0 47 78 A L S < S- 0 0 27 -4,-1.4 2,-2.6 1,-0.2 6,-0.2 -0.290 70.1-121.1 -48.5 125.3 16.9 -49.2 10.0 48 79 A P S S+ 0 0 48 0, 0.0 -44,-2.7 0, 0.0 2,-0.2 -0.219 90.4 70.1 -72.0 53.8 17.1 -53.0 10.0 49 80 A a S > S- 0 0 19 -2,-2.6 4,-2.0 -46,-0.2 5,-0.2 -0.744 70.3-145.4-170.9 114.8 17.2 -53.2 6.2 50 81 A R H > S+ 0 0 145 1,-0.2 4,-2.3 -2,-0.2 3,-0.4 0.931 101.1 47.1 -49.3 -60.0 20.0 -52.1 3.9 51 82 A L H > S+ 0 0 95 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.870 110.5 55.0 -52.9 -39.2 17.9 -50.9 1.0 52 83 A a H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.898 106.9 49.8 -62.5 -41.8 15.7 -49.0 3.4 53 84 A R H X S+ 0 0 78 -4,-2.0 4,-2.7 -3,-0.4 -2,-0.2 0.935 111.2 49.5 -63.2 -45.4 18.7 -47.2 4.8 54 85 A E H X S+ 0 0 99 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.940 112.8 45.3 -59.1 -50.3 19.9 -46.2 1.3 55 86 A S H X S+ 0 0 22 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.911 113.7 50.4 -60.5 -44.9 16.6 -44.9 0.2 56 87 A Y H X S+ 0 0 12 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.929 110.9 48.0 -60.1 -48.0 16.1 -43.0 3.5 57 88 A K H < S+ 0 0 79 -4,-2.7 4,-0.5 2,-0.2 -2,-0.2 0.956 112.7 49.4 -57.8 -49.4 19.5 -41.4 3.2 58 89 A K H >< S+ 0 0 140 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.934 111.0 50.5 -54.7 -48.7 18.9 -40.4 -0.4 59 90 A F H >< S+ 0 0 34 -4,-3.0 3,-1.1 1,-0.3 -1,-0.2 0.884 107.0 52.8 -58.4 -42.5 15.5 -38.9 0.6 60 91 A I T 3< S+ 0 0 18 -4,-2.5 7,-2.6 1,-0.2 -1,-0.3 0.443 110.5 48.7 -77.8 3.5 17.0 -36.8 3.5 61 92 A T T < S+ 0 0 100 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 0.241 107.9 54.2-122.9 10.7 19.6 -35.3 1.2 62 93 A T S X S- 0 0 71 -3,-1.1 3,-1.1 -4,-0.2 -1,-0.1 -1.000 97.2 -20.0-149.0 147.0 17.4 -34.2 -1.8 63 94 A G G > S- 0 0 71 -2,-0.3 3,-1.0 1,-0.2 -4,-0.0 -0.195 113.1 -27.2 61.5-147.6 14.3 -32.2 -2.6 64 95 A K G 3 S+ 0 0 158 1,-0.2 -1,-0.2 20,-0.1 20,-0.1 0.527 132.7 65.1 -82.0 -4.7 11.7 -31.4 0.1 65 96 A T G < S+ 0 0 14 -3,-1.1 2,-0.3 -6,-0.2 -1,-0.2 0.327 74.6 125.6 -96.2 7.4 12.5 -34.4 2.2 66 97 A A < - 0 0 18 -3,-1.0 2,-0.9 -5,-0.1 -5,-0.2 -0.489 66.6-125.5 -70.5 128.3 16.0 -33.0 2.8 67 98 A L + 0 0 24 -7,-2.6 2,-0.3 -2,-0.3 -1,-0.1 -0.666 51.5 152.5 -77.7 107.3 16.9 -32.8 6.5 68 99 A T >> - 0 0 65 -2,-0.9 4,-1.6 1,-0.0 3,-1.3 -0.905 61.4-100.6-135.3 163.3 17.9 -29.1 6.9 69 100 A N T 34 S+ 0 0 102 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.753 120.3 61.4 -55.6 -24.9 17.9 -26.5 9.6 70 101 A E T >4 S+ 0 0 97 1,-0.2 3,-1.3 2,-0.2 -1,-0.3 0.879 101.9 51.6 -70.1 -35.1 14.8 -25.0 8.1 71 102 A V G X4 S+ 0 0 15 -3,-1.3 3,-0.7 1,-0.3 -2,-0.2 0.929 106.6 54.7 -62.4 -45.9 13.0 -28.3 8.8 72 103 A L G 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.262 78.1 103.8 -73.5 12.0 14.2 -28.1 12.4 73 104 A R G < S- 0 0 135 -3,-1.3 2,-0.2 1,-0.1 -1,-0.2 0.927 92.8 -32.8 -62.2 -48.0 12.7 -24.6 12.9 74 105 A N S <> S- 0 0 39 -3,-0.7 4,-2.2 -4,-0.3 5,-0.2 -0.878 71.2 -76.5-156.4-171.8 9.7 -25.8 14.9 75 106 A R H > S+ 0 0 48 -50,-0.3 4,-2.8 -2,-0.2 5,-0.3 0.898 124.4 52.1 -65.7 -41.9 7.2 -28.6 15.5 76 107 A H H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.965 113.0 43.9 -59.6 -52.4 5.1 -27.7 12.5 77 108 A T H > S+ 0 0 17 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.864 116.0 47.6 -62.1 -37.5 8.2 -27.8 10.2 78 109 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.913 114.3 44.7 -72.6 -41.3 9.5 -31.0 11.7 79 110 A T H X S+ 0 0 3 -4,-2.8 4,-1.7 -58,-0.2 -2,-0.2 0.857 113.1 51.5 -70.5 -33.2 6.2 -32.9 11.6 80 111 A K H X S+ 0 0 69 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.888 109.0 53.0 -68.9 -37.9 5.5 -31.7 8.1 81 112 A W H X S+ 0 0 4 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.933 110.0 44.1 -63.6 -49.0 9.0 -32.9 7.1 82 113 A F H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.844 109.5 57.6 -67.8 -32.0 8.6 -36.5 8.4 83 114 A Y H X S+ 0 0 28 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.906 109.2 47.0 -60.5 -41.1 5.1 -36.7 6.9 84 115 A D H X S+ 0 0 13 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.871 109.2 52.5 -68.9 -38.4 6.8 -35.9 3.6 85 116 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.920 109.1 50.7 -62.8 -41.3 9.5 -38.5 4.2 86 117 A H H X S+ 0 0 40 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.928 109.9 49.5 -62.4 -44.1 6.8 -41.1 4.9 87 118 A N H X S+ 0 0 61 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.900 107.0 57.0 -60.7 -39.4 5.1 -40.1 1.6 88 119 A A H X S+ 0 0 17 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.893 108.8 44.7 -59.6 -41.8 8.4 -40.5 -0.2 89 120 A V H X S+ 0 0 30 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.895 111.3 53.6 -70.0 -39.2 8.7 -44.1 1.0 90 121 A N H X>S+ 0 0 21 -4,-2.3 5,-2.4 1,-0.2 4,-0.8 0.940 110.4 47.4 -58.3 -47.1 5.1 -44.8 0.1 91 122 A N H <5S+ 0 0 105 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.878 109.2 53.8 -62.4 -39.4 5.8 -43.5 -3.4 92 123 A K H <5S+ 0 0 91 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.908 114.5 40.7 -62.3 -41.4 8.9 -45.6 -3.7 93 124 A L H <5S- 0 0 95 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.564 112.2-126.2 -82.5 -7.9 6.9 -48.7 -2.8 94 125 A E T <5 + 0 0 58 -4,-0.8 139,-2.2 -3,-0.3 2,-0.4 0.916 65.7 130.1 62.0 47.4 4.1 -47.4 -5.0 95 126 A V < - 0 0 30 -5,-2.4 2,-0.3 137,-0.2 -1,-0.2 -0.978 38.4-162.4-130.3 141.0 1.5 -47.7 -2.3 96 127 A D + 0 0 64 43,-0.5 43,-2.3 -2,-0.4 -9,-0.0 -0.921 22.5 176.3-126.5 151.8 -1.0 -44.9 -1.3 97 128 A Y - 0 0 79 -2,-0.3 -1,-0.1 41,-0.3 43,-0.1 0.454 43.0-127.7-125.8 -13.0 -3.2 -44.3 1.7 98 129 A G + 0 0 36 1,-0.2 2,-0.5 41,-0.1 -2,-0.0 0.742 51.5 155.7 70.5 24.7 -4.6 -40.9 0.8 99 130 A L - 0 0 48 37,-0.1 -1,-0.2 4,-0.0 2,-0.1 -0.735 29.6-151.8 -90.6 128.2 -3.6 -39.2 4.0 100 131 A S > - 0 0 46 -2,-0.5 4,-1.8 1,-0.1 5,-0.2 -0.455 31.9-107.0 -88.1 164.9 -3.2 -35.4 4.1 101 132 A Y H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.871 123.5 56.7 -59.2 -36.0 -0.8 -33.7 6.5 102 133 A E H > S+ 0 0 119 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.903 102.5 54.2 -61.4 -43.0 -3.9 -32.5 8.3 103 134 A D H > S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.923 110.0 46.6 -56.9 -47.4 -5.1 -36.1 8.8 104 135 A V H X S+ 0 0 12 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.844 111.7 51.8 -65.1 -34.5 -1.7 -36.9 10.4 105 136 A V H X S+ 0 0 32 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.938 108.5 49.4 -68.1 -47.6 -1.9 -33.8 12.6 106 137 A N H X S+ 0 0 101 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.832 114.2 48.7 -60.0 -32.9 -5.4 -34.7 13.8 107 138 A K H >< S+ 0 0 43 -4,-1.6 3,-0.9 -5,-0.2 4,-0.3 0.989 116.3 36.8 -71.3 -62.8 -4.2 -38.2 14.6 108 139 A Y H >< S+ 0 0 12 -4,-2.4 3,-1.1 1,-0.3 4,-0.4 0.750 110.2 61.0 -65.4 -26.1 -1.0 -37.5 16.5 109 140 A E H >< S+ 0 0 68 -4,-2.3 3,-0.9 1,-0.3 -1,-0.3 0.790 95.9 62.1 -71.3 -25.5 -2.3 -34.4 18.3 110 141 A S T << S+ 0 0 11 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.619 98.8 58.4 -73.0 -9.0 -4.9 -36.6 19.9 111 142 A F T < S+ 0 0 60 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.636 77.8 118.7 -90.6 -18.3 -1.9 -38.4 21.5 112 143 A R S < S- 0 0 72 -3,-0.9 2,-0.2 -4,-0.4 16,-0.1 -0.266 77.3-109.9 -52.6 124.9 -0.7 -35.2 23.2 113 144 A A - 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0 0 146 -3,-2.0 -3,-0.2 1,-0.3 3,-0.1 0.782 61.1 -72.7 59.8 29.3 -17.1 -41.1 -8.7 173 211 A G T 3 - 0 0 66 -3,-1.3 4,-2.4 -6,-0.3 3,-1.1 -0.749 25.7-164.5 -87.3 104.3 -13.5 -39.5 -5.0 175 213 A F H 3> S+ 0 0 32 -2,-1.0 4,-2.7 1,-0.3 5,-0.2 0.812 85.1 61.5 -59.8 -34.2 -11.5 -40.4 -1.9 176 214 A N H 34 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.820 113.3 39.0 -63.1 -27.7 -11.9 -37.0 -0.2 177 215 A E H X4 S+ 0 0 73 -3,-1.1 3,-1.0 2,-0.2 4,-0.4 0.849 112.7 54.5 -87.4 -38.8 -15.6 -37.6 -0.3 178 216 A L H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.3 6,-0.2 0.860 103.7 57.3 -62.3 -35.3 -15.4 -41.3 0.6 179 217 A K T 3< S+ 0 0 52 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.700 101.6 56.5 -69.3 -19.1 -13.4 -40.4 3.7 180 218 A K T < S+ 0 0 152 -3,-1.0 -1,-0.3 -4,-0.2 2,-0.2 0.497 88.2 100.0 -88.3 -7.4 -16.3 -38.2 4.8 181 219 A Q S X S- 0 0 69 -3,-1.3 3,-1.4 -4,-0.4 4,-0.4 -0.552 77.3-132.2 -81.4 146.2 -18.7 -41.1 4.7 182 220 A S T >> S+ 0 0 118 1,-0.3 3,-1.0 -2,-0.2 4,-0.5 0.838 107.1 61.5 -64.5 -31.7 -19.6 -42.9 7.9 183 221 A S H 3> S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.538 81.4 83.0 -72.8 -5.9 -19.0 -46.2 6.2 184 222 A W H <> S+ 0 0 18 -3,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.898 88.3 53.9 -65.1 -37.0 -15.3 -45.2 5.6 185 223 A E H <> S+ 0 0 97 -3,-1.0 4,-1.9 -4,-0.4 -1,-0.2 0.894 109.5 47.4 -62.0 -41.0 -14.5 -46.4 9.1 186 224 A Y H X S+ 0 0 133 -4,-0.5 4,-3.0 2,-0.2 5,-0.2 0.914 107.1 57.4 -66.2 -43.6 -16.1 -49.8 8.3 187 225 A R H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.922 109.0 45.6 -52.7 -48.2 -14.2 -50.0 5.1 188 226 A N H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.893 112.3 49.4 -66.1 -40.8 -10.9 -49.6 6.9 189 227 A K H X S+ 0 0 101 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.916 112.8 48.6 -66.2 -39.2 -11.8 -52.1 9.6 190 228 A Y H X S+ 0 0 30 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.942 113.2 45.8 -64.0 -47.7 -12.9 -54.6 7.0 191 229 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.880 111.5 53.5 -62.5 -39.9 -9.7 -54.2 4.9 192 230 A Q H X S+ 0 0 44 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.905 108.7 47.0 -62.3 -46.7 -7.5 -54.4 8.0 193 231 A K H X S+ 0 0 121 -4,-2.0 4,-3.3 2,-0.2 -1,-0.2 0.943 114.8 49.6 -61.4 -45.9 -9.0 -57.7 9.2 194 232 A K H X S+ 0 0 25 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.934 110.9 46.7 -55.8 -54.3 -8.6 -59.1 5.6 195 233 A I H X S+ 0 0 7 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.887 116.3 46.2 -58.5 -39.0 -5.0 -58.0 5.2 196 234 A R H X S+ 0 0 166 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.910 110.3 53.6 -70.9 -40.6 -4.3 -59.5 8.6 197 235 A H H X S+ 0 0 83 -4,-3.3 4,-1.2 1,-0.2 -2,-0.2 0.921 111.7 45.0 -58.7 -45.9 -6.2 -62.7 7.8 198 236 A M H <>S+ 0 0 5 -4,-2.8 5,-2.3 2,-0.2 4,-0.4 0.923 114.1 48.6 -65.2 -44.5 -4.1 -63.2 4.6 199 237 A R H ><5S+ 0 0 137 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.936 113.2 47.3 -60.6 -47.1 -0.8 -62.4 6.4 200 238 A E H 3<5S+ 0 0 127 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.689 119.3 39.5 -69.7 -19.5 -1.6 -64.8 9.2 201 239 A N T 3<5S- 0 0 98 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.200 107.3-117.4-116.0 15.4 -2.7 -67.6 6.9 202 240 A A T < 5 + 0 0 89 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.848 51.6 167.7 52.0 40.1 -0.1 -67.2 4.2 203 241 A I < - 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0 0 8 -12,-1.9 4,-2.5 -13,-0.1 5,-0.2 -0.373 36.4 -98.2 -76.5 165.7 -6.9 -64.5 -5.4 218 256 A I H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.921 125.5 48.7 -53.2 -48.5 -10.5 -64.4 -4.1 219 257 A D H > S+ 0 0 28 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.897 110.6 50.6 -59.5 -40.8 -9.4 -62.7 -0.9 220 258 A E H > S+ 0 0 0 -16,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.895 108.5 53.2 -64.5 -37.8 -7.4 -60.1 -2.8 221 259 A L H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.895 105.3 53.6 -63.3 -40.6 -10.4 -59.5 -5.0 222 260 A K H < S+ 0 0 33 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.854 109.6 49.0 -62.8 -34.2 -12.6 -58.9 -2.0 223 261 A L H ><>S+ 0 0 0 -4,-1.6 5,-2.1 1,-0.2 3,-1.8 0.921 108.0 53.2 -69.0 -45.1 -10.0 -56.3 -0.9 224 262 A L H ><5S+ 0 0 1 -4,-2.3 3,-2.4 1,-0.3 -2,-0.2 0.860 99.9 62.3 -58.1 -36.7 -10.0 -54.6 -4.3 225 263 A L T 3<5S+ 0 0 1 -4,-2.0 -1,-0.3 1,-0.3 -60,-0.3 0.653 103.3 50.3 -64.7 -14.9 -13.8 -54.3 -4.1 226 264 A F T < 5S- 0 0 12 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.084 124.3-108.0-107.4 20.5 -13.2 -52.1 -1.0 227 265 A L T < 5S+ 0 0 0 -3,-2.4 -87,-1.8 1,-0.2 2,-0.3 0.782 87.8 112.0 56.3 32.1 -10.7 -50.0 -3.1 228 266 A A < + 0 0 0 -5,-2.1 2,-0.3 -89,-0.2 -2,-0.3 -0.832 39.1 167.1-126.7 163.4 -7.9 -51.6 -1.1 229 267 A S - 0 0 4 -91,-0.3 -9,-0.1 -2,-0.3 -8,-0.0 -0.948 43.7-134.3-174.2 154.5 -5.1 -54.0 -2.0 230 268 A N S S+ 0 0 33 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.590 85.5 92.5 -86.5 -15.4 -1.9 -55.6 -0.9 231 269 A L S S- 0 0 16 -11,-0.1 2,-0.1 -26,-0.1 -2,-0.0 -0.531 72.6-132.5 -82.8 144.4 -0.5 -54.9 -4.4 232 270 A N > - 0 0 38 -2,-0.2 4,-2.4 -137,-0.1 5,-0.2 -0.324 39.2 -87.3 -86.8 177.0 1.4 -51.8 -5.4 233 271 A R H > S+ 0 0 88 -139,-2.2 4,-2.3 1,-0.2 5,-0.2 0.893 128.3 46.5 -51.5 -47.7 0.7 -49.7 -8.5 234 272 A T H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 114.0 48.9 -62.5 -43.3 2.9 -51.8 -10.8 235 273 A E H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.832 110.1 51.2 -66.6 -33.6 1.5 -55.0 -9.5 236 274 A V H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.943 111.4 46.6 -69.2 -46.4 -2.1 -53.8 -9.9 237 275 A N H X S+ 0 0 70 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.861 113.0 51.2 -62.8 -34.9 -1.6 -52.8 -13.5 238 276 A D H X S+ 0 0 93 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.907 109.3 49.2 -67.8 -41.4 0.2 -56.1 -14.1 239 277 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.896 109.4 53.1 -63.5 -40.6 -2.8 -58.0 -12.6 240 278 A I H X S+ 0 0 12 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.935 107.3 51.6 -59.9 -46.3 -5.2 -56.0 -14.8 241 279 A N H X S+ 0 0 73 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.895 110.7 48.4 -58.8 -40.6 -3.1 -57.0 -17.9 242 280 A N H X S+ 0 0 41 -4,-2.0 4,-2.0 -28,-0.2 -1,-0.2 0.896 109.6 51.8 -68.9 -38.1 -3.4 -60.7 -16.9 243 281 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.885 111.1 48.2 -63.7 -37.8 -7.1 -60.4 -16.3 244 282 A E H X S+ 0 0 76 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.780 106.3 56.4 -74.3 -27.1 -7.5 -58.9 -19.8 245 283 A R H X S+ 0 0 155 -4,-1.5 4,-2.5 -5,-0.2 5,-0.2 0.936 111.3 45.1 -66.6 -44.9 -5.4 -61.6 -21.4 246 284 A L H X S+ 0 0 30 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.880 115.7 45.6 -66.2 -39.3 -7.8 -64.2 -19.9 247 285 A E H X S+ 0 0 69 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.911 115.0 47.1 -70.6 -42.9 -10.9 -62.2 -20.9 248 286 A S H X S+ 0 0 82 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.943 114.2 46.2 -63.5 -50.2 -9.7 -61.5 -24.5 249 287 A T H X S+ 0 0 72 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.847 112.0 52.8 -62.7 -35.2 -8.6 -65.1 -25.1 250 288 A H H >< S+ 0 0 92 -4,-1.6 3,-1.0 -5,-0.2 4,-0.5 0.942 107.1 51.3 -65.3 -48.1 -11.8 -66.4 -23.6 251 289 A Y H >< S+ 0 0 194 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.846 109.1 50.7 -56.2 -40.0 -13.9 -64.2 -26.0 252 290 A I H 3< S+ 0 0 133 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.610 108.3 51.5 -77.9 -14.0 -12.1 -65.4 -29.1 253 291 A E T << 0 0 138 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.408 360.0 360.0-103.7 2.2 -12.5 -69.1 -28.3 254 292 A N < 0 0 149 -3,-0.7 0, 0.0 -4,-0.5 0, 0.0 -0.731 360.0 360.0-146.1 360.0 -16.3 -69.0 -27.7