==== 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 09-JUN-00 1F4T . COMPND 2 MOLECULE: CYTOCHROME P450 119; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR J.K.YANO,L.S.KOO,D.J.SCHULLER,H.LI,P.R.ORTIZ DE MONTELLANO,T . 734 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 512 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 8.9 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 . 4 0.5 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 . 1 0.1 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 . 49 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 4 1 2 4 0 4 2 4 0 5 0 2 0 2 2 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 2 4 4 2 0 0 1 0 1 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 . 2 2 0 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 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 1 A M > 0 0 124 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -38.2 38.7 11.9 25.4 2 2 A Y H > + 0 0 49 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.794 360.0 52.7 -72.9 -28.8 40.3 12.3 28.8 3 3 A D H > S+ 0 0 141 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 113.4 47.2 -70.4 -37.0 38.0 10.0 30.7 4 4 A W H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.940 110.3 51.5 -65.7 -48.8 38.7 7.4 28.1 5 5 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.933 109.8 51.2 -52.0 -49.6 42.5 8.1 28.3 6 6 A S H X S+ 0 0 33 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.943 109.1 48.6 -53.4 -54.9 42.3 7.6 32.0 7 7 A E H X S+ 0 0 77 -4,-2.2 4,-2.4 1,-0.2 5,-0.4 0.839 113.6 48.3 -56.8 -35.7 40.5 4.2 31.8 8 8 A M H X S+ 0 0 20 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.871 106.6 54.9 -73.5 -38.1 43.1 3.0 29.3 9 9 A R H < S+ 0 0 37 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.849 115.1 42.3 -63.0 -33.2 46.0 4.2 31.3 10 10 A K H < S+ 0 0 158 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.921 131.4 18.0 -79.2 -48.0 44.6 2.1 34.2 11 11 A K H < S+ 0 0 125 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.867 135.9 16.7 -95.5 -44.3 43.6 -1.1 32.3 12 12 A D < + 0 0 64 -4,-1.2 3,-0.3 -5,-0.4 -1,-0.2 -0.595 55.3 166.2-136.8 77.3 45.3 -1.2 28.9 13 13 A P S S+ 0 0 36 0, 0.0 11,-3.0 0, 0.0 2,-0.6 0.853 87.3 33.3 -55.8 -40.0 48.3 1.2 28.6 14 14 A V E S-A 23 0A 6 9,-0.2 2,-0.4 10,-0.1 9,-0.2 -0.918 89.2-178.9-121.4 99.7 49.4 -0.7 25.4 15 15 A Y E -A 22 0A 84 7,-3.0 7,-2.5 -2,-0.6 2,-0.5 -0.866 20.5-158.9-114.1 136.0 46.3 -1.8 23.7 16 16 A Y E -A 21 0A 99 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.930 6.9-177.5-109.1 125.7 45.7 -3.7 20.4 17 17 A D - 0 0 70 3,-1.8 4,-0.1 -2,-0.5 -1,-0.1 0.214 59.1 -95.4-106.3 13.3 42.3 -3.4 18.7 18 18 A G S S+ 0 0 50 2,-0.3 3,-0.1 1,-0.1 -2,-0.0 0.280 119.8 52.8 92.2 -11.9 43.0 -5.8 15.9 19 19 A N S S- 0 0 125 1,-0.5 258,-0.3 258,-0.0 2,-0.3 0.705 118.2 -9.4-118.1 -52.1 44.1 -3.1 13.5 20 20 A I - 0 0 19 256,-0.1 -3,-1.8 -5,-0.0 -1,-0.5 -0.861 66.8-107.2-141.8 173.3 46.8 -1.0 15.2 21 21 A W E -Ab 16 278A 20 256,-2.6 258,-2.9 -2,-0.3 2,-0.4 -0.828 27.5-161.3-106.6 148.7 48.4 -0.7 18.6 22 22 A Q E -Ab 15 279A 16 -7,-2.5 -7,-3.0 -2,-0.3 2,-0.4 -0.999 2.4-158.7-132.7 134.0 47.7 2.3 20.9 23 23 A V E +Ab 14 280A 0 256,-2.2 258,-2.1 -2,-0.4 -9,-0.2 -0.949 15.2 170.0-114.5 132.7 49.9 3.5 23.8 24 24 A F + 0 0 0 -11,-3.0 2,-0.2 -2,-0.4 -15,-0.2 0.594 47.4 84.8-117.2 -16.5 48.4 5.7 26.6 25 25 A S S > S- 0 0 10 -12,-0.5 4,-2.0 -17,-0.1 260,-0.3 -0.520 72.6-126.5 -91.2 160.2 50.9 5.9 29.4 26 26 A Y H > S+ 0 0 18 259,-0.3 4,-3.2 258,-0.2 5,-0.3 0.956 105.4 54.8 -65.9 -53.6 53.8 8.3 29.8 27 27 A R H > S+ 0 0 175 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 117.5 34.0 -45.9 -57.0 56.5 5.6 30.4 28 28 A Y H > S+ 0 0 37 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.860 115.2 56.0 -72.8 -37.0 55.7 3.6 27.3 29 29 A T H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.956 112.6 43.8 -58.9 -47.5 54.8 6.6 25.1 30 30 A K H X S+ 0 0 83 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.886 111.4 55.4 -64.3 -37.9 58.2 8.1 25.9 31 31 A E H X S+ 0 0 73 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.930 108.7 46.6 -61.3 -46.9 59.8 4.7 25.4 32 32 A V H < S+ 0 0 0 -4,-2.8 7,-0.2 1,-0.2 3,-0.2 0.966 111.9 50.0 -59.5 -54.3 58.4 4.4 21.9 33 33 A L H < S+ 0 0 4 -4,-2.1 282,-0.3 1,-0.2 281,-0.3 0.807 115.8 42.5 -54.6 -37.1 59.4 7.9 20.8 34 34 A N H < S+ 0 0 64 -4,-1.9 2,-1.7 1,-0.2 -1,-0.2 0.782 99.0 75.0 -83.3 -29.2 63.0 7.5 22.0 35 35 A N >X + 0 0 50 -4,-2.1 4,-1.7 -5,-0.2 3,-0.5 -0.567 53.1 157.7 -87.2 78.6 63.5 4.0 20.6 36 36 A F T 34 + 0 0 76 -2,-1.7 -1,-0.2 1,-0.2 5,-0.1 0.727 62.8 68.3 -73.9 -23.3 63.8 4.9 17.0 37 37 A S T 34 S+ 0 0 67 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.800 117.5 22.0 -67.6 -28.8 65.7 1.7 16.0 38 38 A K T <4 S+ 0 0 71 -3,-0.5 224,-2.0 1,-0.2 2,-0.7 0.612 123.0 55.1-111.3 -21.8 62.6 -0.5 16.6 39 39 A F E < S-C 261 0A 2 -4,-1.7 222,-0.2 222,-0.2 -1,-0.2 -0.832 83.3-159.3-116.8 91.1 59.8 2.1 16.3 40 40 A S E -C 260 0A 3 220,-2.5 220,-1.7 -2,-0.7 -3,-0.1 -0.302 27.3-159.6 -73.8 151.3 60.4 3.6 12.8 41 41 A S + 0 0 1 218,-0.2 2,-2.6 -5,-0.1 3,-0.2 0.314 63.6 112.3-106.1 0.7 59.2 7.0 11.5 42 42 A D + 0 0 30 1,-0.2 3,-0.3 218,-0.1 29,-0.1 -0.399 33.0 132.2 -75.9 67.4 59.7 5.8 7.9 43 43 A L + 0 0 16 -2,-2.6 -1,-0.2 1,-0.2 28,-0.1 0.398 59.2 55.7-101.4 2.1 55.9 5.7 7.2 44 44 A T S S- 0 0 15 26,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.237 110.4-100.4-122.5 15.9 55.8 7.6 3.8 45 45 A G S > S+ 0 0 17 -3,-0.3 4,-2.0 25,-0.0 21,-0.1 0.628 79.5 132.1 77.9 14.4 58.2 5.7 1.5 46 46 A Y H > S+ 0 0 1 24,-0.3 4,-0.6 19,-0.3 7,-0.1 0.952 73.9 41.6 -63.4 -52.3 61.1 8.1 1.9 47 47 A H H >4 S+ 0 0 60 23,-0.3 3,-0.6 1,-0.2 4,-0.4 0.896 114.2 52.1 -64.6 -40.6 63.7 5.4 2.6 48 48 A E H 34 S+ 0 0 162 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.883 120.7 30.8 -64.5 -41.7 62.5 3.0 -0.1 49 49 A R H 3X S+ 0 0 76 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.251 85.5 106.0-105.4 16.9 62.5 5.6 -2.9 50 50 A L H XX S+ 0 0 37 -4,-0.6 4,-3.1 -3,-0.6 3,-0.9 0.944 82.1 51.1 -55.8 -50.5 65.3 7.8 -1.8 51 51 A E H 3> S+ 0 0 145 -4,-0.4 4,-2.6 1,-0.3 5,-0.2 0.929 109.8 46.4 -54.5 -52.9 67.5 6.3 -4.5 52 52 A D H 34>S+ 0 0 60 -4,-0.3 6,-2.4 1,-0.2 5,-0.6 0.601 114.0 51.9 -70.4 -7.7 65.1 6.9 -7.4 53 53 A L H X<5S+ 0 0 2 -3,-0.9 3,-1.2 -4,-0.9 -2,-0.2 0.898 111.5 44.8 -86.5 -52.7 64.6 10.4 -6.0 54 54 A R H 3<5S+ 0 0 75 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.814 115.5 46.1 -61.3 -35.8 68.3 11.2 -5.9 55 55 A N T 3<5S- 0 0 75 -4,-2.6 -1,-0.3 -5,-0.2 -3,-0.1 0.474 115.5-115.9 -87.5 -1.6 69.1 9.7 -9.4 56 56 A G T < 5S+ 0 0 11 -3,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.529 78.2 124.9 85.4 7.3 66.0 11.5 -10.8 57 57 A K < + 0 0 159 -5,-0.6 2,-0.6 -6,-0.2 -4,-0.2 0.794 69.6 63.6 -69.5 -26.2 63.8 8.6 -11.9 58 58 A I + 0 0 21 -6,-2.4 139,-0.2 1,-0.2 -2,-0.1 -0.885 56.6 155.7-100.3 118.4 61.0 10.1 -9.8 59 59 A R + 0 0 149 -2,-0.6 2,-0.5 1,-0.3 -1,-0.2 0.740 60.5 47.0-112.4 -34.5 59.9 13.5 -11.0 60 60 A F S S+ 0 0 195 2,-0.0 2,-0.3 3,-0.0 -1,-0.3 -0.954 74.2 117.9-117.4 121.4 56.3 14.0 -9.9 61 61 A D - 0 0 19 -2,-0.5 3,-0.1 -3,-0.1 102,-0.0 -0.965 67.4 -72.4-165.5 175.1 55.4 13.2 -6.3 62 62 A I > - 0 0 24 -2,-0.3 3,-2.1 1,-0.2 4,-0.4 -0.727 36.5-153.6 -84.1 109.6 54.1 14.6 -2.9 63 63 A P G > S+ 0 0 0 0, 0.0 3,-2.2 0, 0.0 138,-0.2 0.869 89.7 62.0 -50.7 -43.9 56.9 16.7 -1.4 64 64 A T G 3 S+ 0 0 13 1,-0.3 3,-0.3 -3,-0.1 6,-0.1 0.466 87.1 71.9 -67.3 -0.3 55.7 16.2 2.2 65 65 A R G < S+ 0 0 76 -3,-2.1 2,-0.5 1,-0.2 -1,-0.3 0.716 98.8 55.3 -81.1 -20.7 56.2 12.4 1.9 66 66 A Y S < S+ 0 0 1 -3,-2.2 2,-0.3 -4,-0.4 -1,-0.2 -0.604 76.4 109.7-118.8 74.5 59.9 13.4 2.0 67 67 A T S > S- 0 0 2 -2,-0.5 3,-1.2 -3,-0.3 -21,-0.1 -0.851 79.1 -99.2-132.4 168.5 60.9 15.4 5.1 68 68 A M G > S+ 0 0 10 -2,-0.3 3,-1.5 1,-0.2 12,-0.1 0.780 113.6 74.7 -60.4 -27.6 63.0 14.6 8.2 69 69 A L G 3 S+ 0 0 70 1,-0.3 -1,-0.2 -27,-0.0 -3,-0.0 0.864 103.9 37.3 -55.5 -37.0 59.7 14.0 10.1 70 70 A T G < S+ 0 0 12 -3,-1.2 -26,-0.4 -28,-0.1 -24,-0.3 -0.289 102.2 92.5-113.4 51.4 59.3 10.7 8.4 71 71 A S < - 0 0 0 -3,-1.5 -29,-0.0 -29,-0.1 -5,-0.0 -0.956 57.0-147.5-136.8 154.0 62.9 9.5 8.1 72 72 A D > - 0 0 12 -2,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.709 45.4 -43.6-113.9 167.7 65.1 7.4 10.4 73 73 A P T 4 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.398 115.3 27.0 -71.7 155.0 68.8 7.7 10.9 74 74 A P T > S+ 0 0 101 0, 0.0 4,-1.8 0, 0.0 5,-0.2 -0.998 129.8 43.3 -80.5 -11.9 71.3 8.1 9.2 75 75 A L H > S+ 0 0 6 -3,-0.5 4,-1.8 1,-0.2 5,-0.2 0.902 108.4 64.2 -57.9 -40.1 69.2 10.0 6.7 76 76 A H H >X S+ 0 0 7 -4,-2.0 4,-2.9 1,-0.2 3,-0.5 0.930 106.7 38.3 -49.1 -57.9 67.4 11.8 9.5 77 77 A D H 3> S+ 0 0 105 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.864 108.2 63.1 -66.3 -34.5 70.5 13.6 10.8 78 78 A E H 3< S+ 0 0 107 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.866 114.6 36.3 -56.6 -33.8 71.8 14.3 7.3 79 79 A L H X< S+ 0 0 1 -4,-1.8 3,-1.0 -3,-0.5 4,-0.2 0.929 119.9 44.3 -83.3 -52.4 68.6 16.3 6.9 80 80 A R H >X S+ 0 0 51 -4,-2.9 3,-2.5 1,-0.2 4,-1.5 0.877 101.5 67.1 -62.7 -40.0 68.2 17.8 10.3 81 81 A S T 3< S+ 0 0 57 -4,-3.0 -1,-0.2 1,-0.3 4,-0.2 0.780 91.7 66.2 -52.1 -28.1 71.8 18.8 10.7 82 82 A M T <4 S+ 0 0 26 -3,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.655 121.2 14.7 -71.6 -15.5 71.2 21.3 7.8 83 83 A S T X4 S+ 0 0 0 -3,-2.5 3,-2.9 -4,-0.2 4,-0.3 0.282 85.8 122.3-139.4 8.2 68.8 23.4 9.9 84 84 A A T 3< S+ 0 0 59 -4,-1.5 3,-0.2 1,-0.3 -3,-0.1 0.669 85.3 38.6 -47.9 -23.9 69.5 22.2 13.4 85 85 A D T > S+ 0 0 71 -4,-0.2 3,-1.5 1,-0.1 -1,-0.3 0.191 77.7 115.6-115.2 15.9 70.4 25.7 14.5 86 86 A I T < S+ 0 0 5 -3,-2.9 -2,-0.1 1,-0.3 -1,-0.1 0.782 86.4 38.8 -54.7 -30.5 67.8 27.7 12.5 87 87 A F T 3 S+ 0 0 21 -4,-0.3 -1,-0.3 -3,-0.2 -3,-0.0 -0.338 86.0 167.4-117.4 49.0 66.2 28.8 15.8 88 88 A S <> - 0 0 10 -3,-1.5 4,-3.0 1,-0.1 3,-0.3 -0.293 49.1-113.7 -64.3 147.3 69.3 29.4 17.8 89 89 A P H > S+ 0 0 99 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.874 119.0 51.4 -47.7 -41.6 69.0 31.3 21.1 90 90 A Q H > S+ 0 0 124 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.900 111.5 45.5 -65.3 -43.0 71.0 34.1 19.6 91 91 A K H > S+ 0 0 65 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.919 113.4 49.7 -67.1 -43.3 68.8 34.3 16.5 92 92 A L H X S+ 0 0 15 -4,-3.0 4,-1.4 1,-0.2 3,-0.3 0.888 105.2 58.1 -62.5 -39.0 65.6 34.2 18.5 93 93 A Q H >< S+ 0 0 108 -4,-2.3 3,-0.5 -5,-0.3 4,-0.5 0.911 105.4 49.7 -58.0 -42.9 66.9 36.9 20.8 94 94 A T H 3< S+ 0 0 92 -4,-1.4 4,-0.5 1,-0.2 3,-0.4 0.806 109.7 53.4 -66.8 -27.7 67.2 39.3 17.9 95 95 A L H 3X S+ 0 0 24 -4,-1.2 4,-2.9 -3,-0.3 3,-0.4 0.707 82.2 86.5 -80.7 -21.0 63.7 38.4 16.8 96 96 A E H S+ 0 0 95 -4,-0.5 4,-2.6 -3,-0.4 -1,-0.3 0.909 111.8 45.6 -63.2 -43.6 61.7 42.8 18.9 98 98 A F H > S+ 0 0 54 -4,-0.5 4,-2.9 -3,-0.4 -2,-0.2 0.948 114.9 47.4 -64.4 -49.0 60.1 41.8 15.6 99 99 A I H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 -2,-0.2 0.931 114.4 46.9 -58.6 -46.7 57.7 39.4 17.3 100 100 A R H X S+ 0 0 52 -4,-2.9 4,-3.0 -5,-0.3 5,-0.2 0.946 113.7 46.5 -62.3 -49.6 56.7 41.9 20.0 101 101 A E H X S+ 0 0 123 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.925 114.9 48.8 -58.2 -44.8 56.2 44.7 17.5 102 102 A T H X S+ 0 0 14 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.949 111.9 47.8 -59.5 -51.0 54.2 42.3 15.3 103 103 A T H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.920 110.5 52.0 -57.0 -47.3 52.1 41.1 18.2 104 104 A R H X S+ 0 0 93 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.908 111.1 48.3 -55.9 -45.1 51.4 44.7 19.3 105 105 A S H X S+ 0 0 77 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.895 110.5 49.6 -64.6 -42.1 50.3 45.6 15.8 106 106 A L H >< S+ 0 0 23 -4,-2.4 3,-1.1 1,-0.2 4,-0.4 0.914 109.1 53.4 -64.3 -40.7 48.0 42.6 15.5 107 107 A L H >< S+ 0 0 2 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.794 100.5 62.3 -64.3 -28.2 46.4 43.4 18.9 108 108 A D H 3< S+ 0 0 117 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.743 95.8 59.6 -69.8 -23.1 45.7 46.9 17.7 109 109 A S T << S+ 0 0 61 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 0.581 82.2 108.4 -81.6 -10.0 43.4 45.6 15.0 110 110 A I < - 0 0 10 -3,-1.0 5,-0.1 -4,-0.4 3,-0.1 -0.523 64.9-142.5 -75.0 128.6 41.1 44.0 17.5 111 111 A D > - 0 0 87 -2,-0.3 3,-1.3 3,-0.2 253,-0.1 -0.814 9.2-153.8 -90.1 107.5 37.7 45.5 18.1 112 112 A P T 3 S+ 0 0 48 0, 0.0 252,-2.8 0, 0.0 3,-0.2 0.748 88.6 68.1 -51.5 -31.3 37.2 45.2 21.9 113 113 A R T 3 S- 0 0 199 1,-0.3 2,-0.2 250,-0.2 -3,-0.0 0.897 127.9 -28.8 -58.2 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0.836 109.9 55.4 -64.8 -32.6 46.8 58.2 -49.0 377 9 B R H 3< S+ 0 0 28 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.739 117.4 38.2 -70.5 -22.2 49.5 56.1 -50.6 378 10 B K H << S+ 0 0 170 -4,-1.2 -2,-0.2 -3,-0.7 -3,-0.2 0.851 132.4 21.7 -95.3 -44.7 48.1 57.3 -53.9 379 11 B K H < S+ 0 0 108 -4,-3.8 -3,-0.2 1,-0.2 -2,-0.2 0.788 137.8 14.2 -96.7 -33.2 47.3 61.0 -53.2 380 12 B D < + 0 0 62 -4,-1.4 3,-0.4 -5,-0.4 -1,-0.2 -0.526 51.6 169.9-147.4 78.2 49.4 61.8 -50.1 381 13 B P S S+ 0 0 42 0, 0.0 11,-2.2 0, 0.0 12,-0.5 0.885 93.3 32.7 -52.6 -39.0 52.3 59.4 -49.2 382 14 B V E S-I 391 0E 5 254,-0.2 2,-0.2 9,-0.2 9,-0.2 -0.877 90.4-179.4-122.7 94.3 53.4 62.1 -46.8 383 15 B Y E -I 390 0E 79 7,-2.0 7,-2.1 -2,-0.5 2,-0.4 -0.618 18.1-165.2 -99.2 155.1 50.3 63.9 -45.5 384 16 B Y E -I 389 0E 96 -2,-0.2 5,-0.2 5,-0.2 -2,-0.0 -0.973 7.1-175.0-139.8 120.0 49.8 66.8 -43.1 385 17 B D - 0 0 64 3,-1.5 4,-0.1 -2,-0.4 -1,-0.0 0.165 58.8 -99.1-101.3 17.7 46.4 67.6 -41.6 386 18 B G S S+ 0 0 53 2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.420 120.1 63.1 80.5 -3.1 47.5 70.8 -39.8 387 19 B N S S- 0 0 121 1,-0.5 258,-0.3 258,-0.0 2,-0.3 0.732 115.0 -21.1-114.4 -57.6 47.7 68.6 -36.7 388 20 B I - 0 0 12 256,-0.1 -3,-1.5 259,-0.0 -1,-0.5 -0.955 63.9-104.5-151.6 165.4 50.4 66.0 -37.3 389 21 B W E -Ij 384 646E 18 256,-3.0 258,-3.4 -2,-0.3 2,-0.4 -0.694 28.3-165.7 -97.9 151.9 52.2 64.3 -40.1 390 22 B Q E -Ij 383 647E 11 -7,-2.1 -7,-2.0 -2,-0.3 2,-0.4 -1.000 6.6-154.4-138.4 136.8 51.5 60.7 -41.3 391 23 B V E +Ij 382 648E 0 256,-2.3 258,-1.9 -2,-0.4 -9,-0.2 -0.923 17.7 167.8-112.3 137.0 53.5 58.5 -43.6 392 24 B F + 0 0 0 -11,-2.2 2,-0.3 -2,-0.4 -15,-0.1 0.507 49.0 87.6-123.4 -10.7 51.9 55.7 -45.6 393 25 B S S > S- 0 0 6 -12,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.681 71.4-129.8 -98.1 150.2 54.6 54.6 -48.1 394 26 B Y H > S+ 0 0 20 259,-0.3 4,-3.2 -2,-0.3 5,-0.4 0.964 104.5 49.8 -55.5 -59.9 57.3 51.9 -47.6 395 27 B R H > S+ 0 0 163 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.907 118.5 37.4 -49.1 -53.0 60.2 54.0 -48.8 396 28 B Y H > S+ 0 0 45 2,-0.2 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1,-0.2 -1,-0.2 0.835 63.2 35.2 -83.7 -36.2 61.2 60.6 -6.6 428 60 B F S S+ 0 0 158 2,-0.0 2,-0.3 137,-0.0 -1,-0.2 -0.976 71.9 121.0-126.2 136.0 57.9 59.8 -8.2 429 61 B D - 0 0 23 -2,-0.4 -3,-0.0 -3,-0.1 0, 0.0 -0.959 64.9 -67.6-170.5 179.4 57.0 59.5 -11.9 430 62 B I > - 0 0 21 -2,-0.3 3,-1.9 1,-0.2 4,-0.4 -0.771 38.3-151.7 -88.7 113.0 55.6 57.2 -14.5 431 63 B P G > S+ 0 0 1 0, 0.0 3,-2.4 0, 0.0 138,-0.2 0.886 90.5 59.0 -48.4 -50.8 58.1 54.3 -15.1 432 64 B T G 3 S+ 0 0 11 1,-0.3 3,-0.4 136,-0.1 134,-0.0 0.474 88.9 73.2 -65.6 0.6 57.2 53.6 -18.7 433 65 B R G < S+ 0 0 50 -3,-1.9 2,-0.4 1,-0.2 -1,-0.3 0.696 96.4 56.9 -81.9 -17.6 58.1 57.2 -19.7 434 66 B Y S < S+ 0 0 1 -3,-2.4 2,-0.3 -4,-0.4 -1,-0.2 -0.517 77.1 113.3-117.6 68.6 61.7 56.1 -19.2 435 67 B T S > S- 0 0 2 -2,-0.4 3,-1.5 -3,-0.4 -21,-0.1 -0.867 77.2-102.2-129.1 163.3 62.5 53.1 -21.5 436 68 B M G > S+ 0 0 12 -2,-0.3 3,-1.1 1,-0.3 12,-0.1 0.776 112.6 74.5 -55.2 -28.2 64.8 52.6 -24.4 437 69 B L G 3 S+ 0 0 67 1,-0.3 2,-0.3 -27,-0.0 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0, 0.0 5,-0.1 0.897 121.1 49.0 -53.6 -42.9 69.8 32.5 -31.3 458 90 B Q H > S+ 0 0 128 1,-0.2 4,-1.2 2,-0.2 -2,-0.0 0.918 111.6 48.6 -65.2 -42.6 71.6 30.2 -28.9 459 91 B K H 4 S+ 0 0 105 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.922 110.3 49.9 -65.0 -45.2 69.4 31.2 -26.0 460 92 B L H >X S+ 0 0 13 -4,-2.7 3,-1.6 1,-0.2 4,-0.9 0.885 103.1 60.9 -62.3 -37.8 66.1 30.7 -27.9 461 93 B Q H >< S+ 0 0 138 -4,-1.8 3,-0.7 -5,-0.3 4,-0.4 0.889 102.1 53.0 -56.6 -37.8 67.2 27.3 -29.1 462 94 B T T 3< S+ 0 0 96 -4,-1.2 -1,-0.3 -3,-0.4 4,-0.3 0.606 108.0 51.4 -74.0 -11.6 67.4 26.2 -25.4 463 95 B L T <> S+ 0 0 16 -3,-1.6 4,-2.7 -4,-0.5 5,-0.3 0.518 80.8 93.2-101.4 -9.0 63.8 27.4 -24.8 464 96 B E H S+ 0 0 89 -4,-0.4 4,-2.9 1,-0.2 5,-0.3 0.922 111.8 48.0 -60.0 -46.3 61.2 22.5 -25.6 466 98 B F H > S+ 0 0 59 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.932 113.3 47.6 -59.2 -47.8 59.7 24.7 -22.8 467 99 B I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.882 114.6 46.5 -62.4 -39.8 57.6 26.7 -25.3 468 100 B R H X S+ 0 0 55 -4,-2.6 4,-2.6 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-3,-1.6 5,-0.1 -4,-0.2 3,-0.0 -0.617 63.2-140.8 -82.9 135.5 40.9 23.3 -25.6 479 111 B D > - 0 0 41 -2,-0.3 3,-1.0 3,-0.2 253,-0.2 -0.840 7.0-155.4 -96.2 104.4 37.3 22.1 -26.1 480 112 B P T 3 S+ 0 0 53 0, 0.0 252,-2.0 0, 0.0 3,-0.2 0.671 90.9 62.0 -51.1 -23.3 37.1 20.9 -29.7 481 113 B R T 3 S- 0 0 190 1,-0.3 2,-0.3 250,-0.2 -3,-0.0 0.921 128.5 -25.1 -71.5 -45.1 33.3 21.5 -29.7 482 114 B E S < S+ 0 0 126 -3,-1.0 -1,-0.3 249,-0.1 2,-0.3 -0.861 75.2 145.1-170.6 133.1 33.7 25.2 -29.0 483 115 B D E -M 730 0F 21 247,-1.4 247,-2.6 -2,-0.3 2,-0.8 -0.980 46.7-104.0-168.7 159.4 36.4 27.4 -27.5 484 116 B D E > -M 729 0F 21 -2,-0.3 4,-2.9 245,-0.3 5,-0.3 -0.806 22.3-165.2 -94.1 106.8 38.1 30.8 -27.6 485 117 B I H >>S+ 0 0 0 243,-2.7 4,-2.5 -2,-0.8 5,-1.8 0.880 90.2 54.9 -58.3 -37.9 41.6 30.4 -29.2 486 118 B V H 4>S+ 0 0 7 242,-0.2 5,-3.0 3,-0.2 -1,-0.2 0.943 113.9 40.0 -60.5 -47.4 42.5 33.8 -27.9 487 119 B K H 45S+ 0 0 140 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.902 122.7 39.0 -69.9 -42.8 41.7 32.9 -24.3 488 120 B K H <5S- 0 0 54 -4,-2.9 -2,-0.2 3,-0.1 -3,-0.2 0.743 137.6 -1.2 -83.6 -23.2 43.0 29.4 -24.3 489 121 B L T X5S+ 0 0 1 -4,-2.5 4,-1.9 -5,-0.3 -3,-0.2 0.664 120.8 54.5-130.9 -59.1 46.2 29.9 -26.4 490 122 B A T 4 S+ 0 0 21 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.913 100.5 63.5 -62.3 -51.1 48.6 32.6 -22.2 493 125 B L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.898 103.7 44.3 -45.6 -59.4 51.6 31.6 -24.2 494 126 B P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.897 114.9 49.6 -56.5 -42.1 53.5 34.9 -24.3 495 127 B I H X S+ 0 0 11 -4,-0.9 4,-1.6 1,-0.2 -2,-0.2 0.922 112.7 46.8 -63.1 -44.8 52.9 35.6 -20.6 496 128 B I H X S+ 0 0 48 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.891 114.6 46.4 -64.4 -43.7 54.1 32.2 -19.6 497 129 B V H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.918 113.0 46.2 -68.9 -45.0 57.2 32.3 -21.7 498 130 B I H X S+ 0 0 11 -4,-2.3 4,-2.5 -5,-0.2 6,-0.3 0.848 110.7 55.2 -68.5 -30.8 58.4 35.8 -20.8 499 131 B S H X>S+ 0 0 14 -4,-1.6 4,-1.6 -5,-0.3 5,-1.1 0.907 109.8 46.9 -65.1 -41.4 57.8 35.0 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49.1 -20.6 520 152 B A H X S+ 0 0 14 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.883 109.3 54.5 -54.5 -35.7 50.3 48.3 -24.3 521 153 B F H < S+ 0 0 93 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.933 112.1 40.1 -63.2 -49.4 47.8 51.2 -23.9 522 154 B R H >< S+ 0 0 30 -4,-1.9 3,-2.4 1,-0.2 -2,-0.2 0.929 110.2 56.1 -69.0 -47.0 50.3 53.7 -22.7 523 155 B L H 3< S+ 0 0 40 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.790 104.8 57.0 -57.0 -25.8 53.2 52.7 -25.0 524 156 B G T 3< S+ 0 0 14 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.602 107.2 49.3 -80.7 -10.9 50.7 53.3 -27.9 525 157 B K S < S- 0 0 67 -3,-2.4 3,-0.5 -4,-0.3 -1,-0.2 -0.537 78.9-173.2-127.3 66.2 50.2 56.9 -26.7 526 158 B P S S+ 0 0 25 0, 0.0 2,-1.4 0, 0.0 -114,-0.1 -0.226 72.9 16.4 -57.6 147.1 53.6 58.4 -26.2 527 159 B G S S+ 0 0 41 1,-0.2 2,-0.7 -94,-0.0 -115,-0.0 -0.207 93.4 114.1 82.6 -48.5 53.6 61.9 -24.6 528 160 B E - 0 0 107 -2,-1.4 2,-0.6 -3,-0.5 -1,-0.2 -0.427 62.1-149.0 -60.6 105.2 50.1 61.5 -23.4 529 161 B I - 0 0 127 -2,-0.7 2,-0.4 -3,-0.1 -1,-0.1 -0.701 16.4-172.7 -85.1 120.5 50.6 61.5 -19.7 530 162 B F - 0 0 70 -2,-0.6 3,-0.1 1,-0.0 -8,-0.0 -0.915 30.8-100.0-115.0 139.9 48.1 59.4 -17.7 531 163 B E - 0 0 176 -2,-0.4 2,-1.1 1,-0.1 -1,-0.0 -0.229 41.0-104.2 -56.9 138.9 47.8 59.3 -13.9 532 164 B L - 0 0 45 4,-0.1 -1,-0.1 1,-0.1 -102,-0.0 -0.516 52.2-161.5 -66.5 98.7 49.4 56.3 -12.2 533 165 B G > - 0 0 31 -2,-1.1 4,-1.4 -3,-0.1 5,-0.1 0.167 30.9 -88.7 -72.4-167.0 46.3 54.3 -11.5 534 166 B K H > S+ 0 0 160 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.878 124.4 49.2 -74.1 -40.4 45.5 51.5 -9.1 535 167 B K H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.875 111.4 50.6 -67.3 -36.2 46.5 48.6 -11.4 536 168 B Y H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.881 106.6 54.8 -67.8 -39.7 49.7 50.4 -12.3 537 169 B L H X S+ 0 0 97 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.851 109.8 46.5 -62.8 -35.1 50.6 50.8 -8.6 538 170 B E H X S+ 0 0 61 -4,-1.5 4,-3.2 2,-0.2 -1,-0.2 0.889 110.5 52.6 -73.5 -39.5 50.1 47.1 -8.1 539 171 B L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.951 111.8 46.8 -58.8 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113.3-109.1 31.4 64.9 37.1 -7.8 550 182 B G < - 0 0 17 -3,-0.8 -47,-0.2 1,-0.2 -48,-0.1 -0.369 65.7 -98.7 -95.9 177.4 65.1 37.5 -11.5 551 183 B T > - 0 0 55 -49,-2.0 4,-2.3 -2,-0.1 3,-0.4 -0.104 57.2 -63.6 -84.7-173.1 67.4 36.0 -14.2 552 184 B E H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.839 129.7 41.5 -37.3 -65.4 70.6 37.4 -15.8 553 185 B V H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.878 113.5 54.3 -60.0 -37.7 69.2 40.5 -17.7 554 186 B V H > S+ 0 0 0 -3,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.929 111.5 45.5 -60.7 -44.3 67.0 41.5 -14.8 555 187 B S H X S+ 0 0 45 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.893 110.0 53.4 -65.9 -40.9 70.0 41.4 -12.5 556 188 B R H < S+ 0 0 105 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.868 113.5 44.2 -62.9 -35.3 72.2 43.3 -14.9 557 189 B V H >< S+ 0 0 0 -4,-2.1 3,-1.9 -5,-0.2 5,-0.4 0.957 112.7 50.5 -71.8 -51.7 69.5 46.0 -15.1 558 190 B V H 3< S+ 0 0 22 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.776 112.6 47.5 -58.6 -28.6 69.0 46.1 -11.3 559 191 B N T 3< S+ 0 0 131 -4,-2.1 -1,-0.3 -5,-0.2 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