==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 21-DEC-02 1NI6 . COMPND 2 MOLECULE: HEME OXYGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.LAD,D.J.SCHULLER,J.FRIEDMAN,H.LI,H.SHIMIZU,P.R.ORTIZ DE . 865 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 658 76.1 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 . 0 0.0 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 . 22 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 521 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 8 0 1 2 1 1 0 3 3 2 0 0 4 0 3 0 0 0 0 0 1 3 0 4 0 2 2 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 . 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 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 10 A P 0 0 78 0, 0.0 6,-0.7 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 139.3 51.7 -4.5 29.2 2 11 A Q + 0 0 184 4,-0.1 5,-0.1 5,-0.1 0, 0.0 0.485 360.0 74.8 1.5 -82.9 50.9 -7.2 26.6 3 12 A D S >> S- 0 0 79 1,-0.1 4,-2.4 2,-0.1 3,-0.9 -0.181 79.2-138.4 -50.3 127.9 47.6 -8.3 28.0 4 13 A L H 3> S+ 0 0 8 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.884 104.7 57.3 -54.6 -41.9 44.8 -5.9 27.3 5 14 A S H 3> S+ 0 0 3 169,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.806 110.2 44.6 -60.9 -30.6 43.5 -6.3 30.9 6 15 A E H <> S+ 0 0 94 -3,-0.9 4,-1.8 -5,-0.3 -2,-0.2 0.881 113.4 47.7 -81.5 -40.9 46.9 -5.2 32.2 7 16 A A H X S+ 0 0 9 -4,-2.4 4,-2.3 -6,-0.7 5,-0.2 0.905 111.6 52.5 -65.1 -41.4 47.4 -2.3 29.9 8 17 A L H X S+ 0 0 2 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.2 0.919 108.0 50.4 -61.2 -45.3 43.9 -1.1 30.7 9 18 A K H X S+ 0 0 102 -4,-1.3 4,-0.5 -5,-0.2 -1,-0.2 0.870 111.3 49.4 -61.8 -38.6 44.5 -1.2 34.4 10 19 A E H >< S+ 0 0 135 -4,-1.8 3,-0.6 1,-0.2 4,-0.4 0.930 112.7 44.2 -68.6 -45.8 47.7 0.8 34.1 11 20 A A H 3< S+ 0 0 40 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.708 119.0 43.4 -73.1 -21.3 46.3 3.6 31.9 12 21 A T H 3X S+ 0 0 4 -4,-1.6 4,-3.1 -5,-0.2 5,-0.3 0.398 81.4 100.2-104.2 1.8 43.2 3.9 34.0 13 22 A K H S+ 0 0 127 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.954 116.3 38.0 -63.8 -54.1 44.6 7.5 37.7 15 24 A V H > S+ 0 0 11 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.796 112.7 58.1 -70.5 -27.7 41.0 7.9 36.8 16 25 A H H X S+ 0 0 87 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.950 108.1 47.3 -65.5 -43.5 40.0 4.8 38.7 17 26 A T H X S+ 0 0 41 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.897 109.9 52.1 -62.6 -41.0 41.5 6.4 41.8 18 27 A Q H X S+ 0 0 82 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.837 106.6 55.8 -64.5 -31.7 39.6 9.7 41.1 19 28 A A H < S+ 0 0 8 -4,-1.9 3,-0.5 2,-0.2 6,-0.2 0.929 111.9 41.1 -66.0 -45.6 36.4 7.7 40.8 20 29 A E H < S+ 0 0 68 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.828 115.3 50.8 -73.9 -28.4 36.9 6.2 44.2 21 30 A N H < S+ 0 0 91 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.551 80.8 119.0 -84.5 -5.9 38.1 9.5 45.7 22 31 A A S X S- 0 0 12 -4,-0.7 4,-3.5 -3,-0.5 3,-0.3 -0.389 78.1-117.0 -57.6 135.7 35.0 11.3 44.2 23 32 A E H > S+ 0 0 97 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.868 109.0 47.0 -43.6 -58.8 33.2 12.7 47.2 24 33 A F H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.892 119.5 39.9 -53.7 -46.1 29.9 10.7 46.9 25 34 A M H > S+ 0 0 25 -3,-0.3 4,-3.0 -6,-0.2 5,-0.3 0.909 111.4 57.7 -71.8 -42.7 31.7 7.4 46.4 26 35 A R H X S+ 0 0 96 -4,-3.5 4,-1.4 1,-0.2 6,-0.2 0.933 111.1 43.5 -51.5 -49.7 34.4 8.2 49.0 27 36 A N H <>S+ 0 0 31 -4,-2.8 5,-3.9 -5,-0.2 -1,-0.2 0.905 111.2 53.2 -63.8 -44.5 31.6 8.6 51.6 28 37 A F H ><5S+ 0 0 8 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.932 110.6 48.1 -56.3 -47.4 29.7 5.5 50.5 29 38 A Q H 3<5S+ 0 0 106 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.795 109.1 53.5 -64.4 -30.1 32.9 3.5 50.8 30 39 A K T 3<5S- 0 0 152 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.378 126.7-101.5 -85.6 3.4 33.5 5.0 54.3 31 40 A G T < 5S+ 0 0 29 -3,-1.5 2,-1.1 -4,-0.2 -3,-0.2 0.523 86.3 129.7 88.0 6.2 30.0 3.9 55.3 32 41 A Q < + 0 0 138 -5,-3.9 2,-0.3 -6,-0.2 -1,-0.2 -0.738 30.3 122.6 -98.1 88.3 28.6 7.5 54.8 33 42 A V - 0 0 18 -2,-1.1 2,-0.2 -5,-0.1 -8,-0.0 -0.990 43.3-148.9-145.0 147.2 25.6 7.0 52.6 34 43 A T > - 0 0 76 -2,-0.3 4,-3.3 1,-0.1 5,-0.3 -0.725 31.6-108.7-114.2 166.0 21.9 7.9 53.0 35 44 A R H > S+ 0 0 100 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.893 122.0 50.4 -59.4 -39.7 18.7 6.3 51.8 36 45 A D H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.909 113.5 44.6 -65.0 -42.7 18.3 9.2 49.3 37 46 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.903 113.8 49.4 -68.5 -40.5 21.8 8.8 48.1 38 47 A F H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.869 108.3 53.3 -67.0 -36.8 21.5 5.0 47.8 39 48 A K H X S+ 0 0 55 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.884 107.8 53.1 -65.2 -35.1 18.3 5.3 46.0 40 49 A L H X S+ 0 0 20 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.869 108.8 47.6 -67.5 -38.3 20.1 7.6 43.5 41 50 A V H X S+ 0 0 15 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.906 112.5 49.5 -69.8 -39.6 22.9 5.1 42.8 42 51 A M H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.931 112.6 46.2 -63.8 -45.3 20.4 2.3 42.3 43 52 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.933 113.1 51.7 -62.2 -43.6 18.3 4.4 39.9 44 53 A S H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.947 108.9 49.6 -56.1 -52.3 21.6 5.4 38.2 45 54 A L H X S+ 0 0 21 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.843 107.1 55.9 -57.1 -37.1 22.7 1.8 37.8 46 55 A Y H X S+ 0 0 31 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.962 110.6 43.2 -60.5 -51.5 19.3 0.8 36.4 47 56 A H H X S+ 0 0 28 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.885 116.1 49.5 -62.2 -39.7 19.6 3.3 33.6 48 57 A I H X S+ 0 0 2 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.958 114.7 42.4 -65.7 -49.9 23.2 2.5 33.0 49 58 A Y H X S+ 0 0 0 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.850 110.2 57.1 -67.9 -32.9 22.7 -1.3 32.8 50 59 A V H X S+ 0 0 36 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.966 114.3 38.9 -60.0 -50.9 19.5 -0.9 30.7 51 60 A A H X S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.921 117.7 49.1 -65.4 -46.4 21.5 1.0 28.1 52 61 A L H X S+ 0 0 1 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.936 114.7 43.5 -60.7 -48.0 24.6 -1.2 28.4 53 62 A E H X S+ 0 0 23 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.818 110.3 57.0 -69.4 -28.3 22.7 -4.5 28.1 54 63 A E H X S+ 0 0 92 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.935 111.2 43.1 -65.8 -44.4 20.6 -3.1 25.3 55 64 A E H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.781 109.8 56.6 -72.1 -29.1 23.8 -2.4 23.3 56 65 A I H X S+ 0 0 9 -4,-1.8 4,-1.3 2,-0.2 3,-0.4 0.931 106.2 50.4 -68.1 -43.9 25.3 -5.7 24.3 57 66 A E H < S+ 0 0 86 -4,-2.1 3,-0.3 1,-0.2 4,-0.2 0.884 108.6 52.0 -60.9 -39.3 22.4 -7.6 22.8 58 67 A R H < S+ 0 0 110 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.794 122.9 31.1 -67.7 -27.2 22.6 -5.6 19.6 59 68 A N H >< S+ 0 0 19 -4,-1.2 3,-1.9 -3,-0.4 6,-0.4 0.366 81.5 111.8-113.4 5.2 26.3 -6.5 19.3 60 69 A K T 3< S+ 0 0 68 -4,-1.3 9,-0.1 -3,-0.3 -1,-0.1 0.700 83.1 47.7 -53.6 -22.3 26.5 -10.0 21.0 61 70 A E T 3 S+ 0 0 172 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.549 85.0 110.9 -97.8 -8.4 27.3 -11.7 17.7 62 71 A S S X> S- 0 0 29 -3,-1.9 4,-2.9 1,-0.1 3,-1.2 -0.364 75.2-125.5 -67.6 144.7 30.1 -9.3 16.5 63 72 A P T 34 S+ 0 0 110 0, 0.0 118,-0.2 0, 0.0 -1,-0.1 0.760 110.7 58.1 -60.3 -23.4 33.6 -10.6 16.4 64 73 A V T 34 S+ 0 0 43 1,-0.1 57,-0.1 2,-0.1 4,-0.1 0.725 121.1 19.7 -81.9 -21.8 34.6 -7.7 18.7 65 74 A F T X4 S+ 0 0 1 -3,-1.2 3,-2.0 -6,-0.4 4,-0.2 0.716 97.8 86.9-118.1 -29.7 32.2 -8.5 21.5 66 75 A A G >< S+ 0 0 39 -4,-2.9 3,-2.1 -7,-0.3 -2,-0.1 0.821 83.9 62.2 -40.9 -46.7 31.2 -12.1 21.3 67 76 A P G 3 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.840 109.6 40.2 -53.7 -34.7 34.2 -13.3 23.3 68 77 A V G < S+ 0 0 3 -3,-2.0 2,-0.9 108,-0.1 -2,-0.2 0.159 85.1 121.8-101.5 20.9 33.0 -11.4 26.4 69 78 A Y < + 0 0 58 -3,-2.1 -3,-0.0 -4,-0.2 -4,-0.0 -0.748 20.9 152.0 -89.3 106.1 29.3 -12.2 26.0 70 79 A F > + 0 0 20 -2,-0.9 4,-2.0 1,-0.1 5,-0.3 -0.640 8.7 167.6-132.4 70.8 28.1 -13.9 29.2 71 80 A P H > S+ 0 0 44 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.896 75.4 42.7 -54.3 -49.4 24.4 -13.0 29.4 72 81 A E H 4 S+ 0 0 122 1,-0.2 90,-0.3 2,-0.2 91,-0.1 0.894 115.4 48.5 -69.3 -39.9 23.3 -15.5 32.1 73 82 A E H 4 S+ 0 0 63 1,-0.1 89,-0.3 88,-0.1 -1,-0.2 0.851 126.5 21.0 -68.6 -34.8 26.3 -14.9 34.3 74 83 A L H < S+ 0 0 4 -4,-2.0 -2,-0.2 88,-0.1 -1,-0.1 0.706 74.8 127.7-113.8 -19.8 26.2 -11.1 34.3 75 84 A H < + 0 0 69 -4,-2.1 4,-0.1 -5,-0.3 -26,-0.0 -0.099 22.6 171.3 -46.7 131.8 22.8 -9.6 33.4 76 85 A R > + 0 0 8 -27,-0.1 4,-2.6 2,-0.1 5,-0.3 0.543 52.8 89.2-118.7 -17.1 21.8 -7.1 36.0 77 86 A K H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.915 91.0 47.5 -50.3 -52.2 18.8 -5.3 34.5 78 87 A A H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 111.8 51.0 -58.6 -43.6 16.3 -7.8 36.0 79 88 A A H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 78,-0.4 0.896 109.8 49.4 -60.8 -43.2 17.9 -7.6 39.4 80 89 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.847 106.1 57.7 -66.7 -32.6 17.8 -3.8 39.4 81 90 A E H X S+ 0 0 63 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.941 108.4 45.8 -62.9 -45.0 14.1 -4.0 38.4 82 91 A Q H X S+ 0 0 123 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.935 115.3 48.2 -61.6 -45.0 13.4 -6.1 41.5 83 92 A D H >X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 3,-0.6 0.909 109.6 49.7 -63.6 -44.9 15.5 -3.7 43.6 84 93 A L H 3X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 5,-0.4 0.852 104.2 59.8 -65.2 -33.2 13.9 -0.4 42.3 85 94 A A H 3< S+ 0 0 40 -4,-1.8 4,-0.5 -5,-0.3 -1,-0.2 0.813 111.1 43.2 -63.5 -28.7 10.4 -1.8 42.9 86 95 A F H << S+ 0 0 45 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.949 118.6 39.9 -79.7 -54.5 11.4 -2.1 46.6 87 96 A W H < S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.786 131.8 26.0 -66.8 -30.8 13.2 1.2 47.0 88 97 A Y S < S- 0 0 39 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.411 107.6-124.7-113.6 -2.1 10.7 3.3 45.0 89 98 A G > - 0 0 19 -4,-0.5 3,-1.7 -5,-0.4 -1,-0.3 -0.212 48.9 -43.2 87.6-179.9 7.5 1.2 45.3 90 99 A P T 3 S+ 0 0 132 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.769 136.3 50.0 -55.7 -33.9 5.2 -0.4 42.8 91 100 A R T > S+ 0 0 181 -3,-0.3 3,-2.1 1,-0.2 4,-0.3 0.079 71.2 128.4 -97.2 24.6 5.1 2.7 40.5 92 101 A W G X> + 0 0 21 -3,-1.7 4,-3.0 1,-0.3 3,-2.6 0.847 61.2 66.0 -46.9 -45.9 8.9 3.0 40.4 93 102 A Q G 34 S+ 0 0 144 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.667 109.5 38.5 -54.9 -18.5 9.1 3.2 36.6 94 103 A E G <4 S+ 0 0 138 -3,-2.1 -1,-0.3 1,-0.0 -2,-0.2 0.273 122.9 42.1-114.6 9.0 7.3 6.5 36.7 95 104 A V T <4 S+ 0 0 88 -3,-2.6 -2,-0.2 -4,-0.3 -3,-0.2 0.639 80.9 102.9-125.4 -29.9 9.0 7.9 39.8 96 105 A I S < S- 0 0 23 -4,-3.0 2,-0.1 -5,-0.2 -56,-0.1 -0.280 74.7-112.2 -60.0 142.6 12.7 7.1 39.6 97 106 A P - 0 0 39 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.378 22.6-165.0 -75.4 156.7 14.9 10.0 38.7 98 107 A Y - 0 0 97 -2,-0.1 -54,-0.0 -51,-0.0 -2,-0.0 -0.738 22.3-168.8-141.6 83.7 16.7 10.2 35.4 99 108 A T >> - 0 0 16 -2,-0.2 4,-2.9 1,-0.1 3,-0.7 -0.239 35.7-104.3 -77.7 163.0 19.2 13.1 35.8 100 109 A P H 3> S+ 0 0 65 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.818 122.2 51.9 -54.1 -36.5 21.5 14.8 33.2 101 110 A A H 3> S+ 0 0 0 2,-0.2 4,-0.7 1,-0.2 103,-0.1 0.819 111.7 46.3 -72.4 -30.5 24.5 12.9 34.4 102 111 A M H <> S+ 0 0 2 -3,-0.7 4,-2.4 2,-0.2 3,-0.4 0.901 110.4 55.7 -74.3 -41.1 22.7 9.6 34.1 103 112 A Q H X S+ 0 0 93 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.873 107.5 45.9 -59.2 -43.2 21.4 10.8 30.6 104 113 A R H X S+ 0 0 122 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.707 110.1 54.3 -77.1 -17.2 24.9 11.5 29.2 105 114 A Y H X S+ 0 0 1 -4,-0.7 4,-1.9 -3,-0.4 -2,-0.2 0.929 112.6 43.8 -76.0 -47.2 26.2 8.2 30.5 106 115 A V H X S+ 0 0 13 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.924 111.8 54.9 -60.1 -46.0 23.4 6.4 28.7 107 116 A K H X S+ 0 0 123 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.919 107.6 48.5 -55.0 -47.8 24.0 8.6 25.7 108 117 A R H X S+ 0 0 52 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.885 109.3 53.1 -61.8 -40.9 27.6 7.5 25.5 109 118 A L H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.936 111.1 46.2 -59.0 -48.1 26.7 3.8 25.8 110 119 A H H X S+ 0 0 48 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.887 110.8 53.9 -63.3 -37.8 24.3 4.1 22.9 111 120 A E H X>S+ 0 0 68 -4,-2.3 4,-2.2 -5,-0.2 5,-0.7 0.957 113.4 41.2 -59.0 -54.2 26.9 6.0 20.8 112 121 A V H X5S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 7,-0.3 0.905 115.0 50.9 -61.2 -46.1 29.5 3.3 21.3 113 122 A G H <5S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 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221 A L H >< S+ 0 0 55 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.913 112.6 50.0 -64.1 -42.1 21.8 15.6 47.9 213 222 A T H 3< S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.674 115.2 43.4 -72.4 -16.6 23.5 18.7 49.3 214 223 A H T 3< 0 0 55 -4,-1.3 100,-0.4 -3,-0.5 -1,-0.2 -0.015 360.0 360.0-122.1 33.6 21.1 21.1 47.7 215 224 A D < 0 0 130 -3,-0.9 100,-0.0 98,-0.1 -3,-0.0 -0.545 360.0 360.0-111.4 360.0 17.6 19.6 48.2 216 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 217 10 B P 0 0 92 0, 0.0 6,-0.2 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 47.2 -18.8 35.9 31.0 218 11 B Q + 0 0 173 4,-0.1 2,-0.0 5,-0.1 0, 0.0 0.969 360.0 71.3 -57.4 -59.4 -18.2 37.4 27.5 219 12 B D S > S- 0 0 55 1,-0.1 4,-2.2 4,-0.0 3,-0.4 -0.280 86.7-127.1 -61.9 143.6 -14.6 38.5 28.2 220 13 B L H > S+ 0 0 6 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.858 111.1 67.1 -58.3 -32.1 -12.0 35.9 28.5 221 14 B S H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.930 105.2 37.5 -51.9 -55.2 -11.3 37.7 31.8 222 15 B E H > S+ 0 0 66 -3,-0.4 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4,-2.2 -5,-0.3 3,-0.2 0.908 110.0 54.9 -62.5 -43.1 -9.3 29.4 46.3 234 27 B Q H X S+ 0 0 85 -4,-2.1 4,-1.7 1,-0.3 -1,-0.2 0.884 104.3 55.8 -56.8 -38.0 -7.6 26.0 46.8 235 28 B A H < S+ 0 0 9 -4,-2.5 -1,-0.3 1,-0.2 6,-0.2 0.893 109.8 45.2 -60.9 -39.8 -4.4 27.7 46.0 236 29 B E H < S+ 0 0 78 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.815 110.4 55.9 -72.6 -31.0 -5.1 30.2 48.8 237 30 B N H < S+ 0 0 88 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.747 75.2 113.8 -74.5 -27.0 -6.1 27.3 51.1 238 31 B A S X S- 0 0 14 -4,-1.7 4,-2.6 -5,-0.2 5,-0.3 -0.214 79.0-120.3 -46.8 131.6 -2.8 25.4 50.8 239 32 B E H > S+ 0 0 98 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.861 107.5 52.7 -46.2 -47.1 -1.3 25.5 54.3 240 33 B F H > S+ 0 0 9 1,-0.2 4,-2.0 181,-0.2 -1,-0.2 0.953 115.6 36.8 -55.7 -58.3 1.9 27.3 53.1 241 34 B M H > S+ 0 0 27 -6,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.788 115.8 55.9 -66.6 -29.6 0.2 30.2 51.3 242 35 B R H < S+ 0 0 102 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.949 110.2 44.5 -67.1 -48.1 -2.5 30.4 53.9 243 36 B N H ><>S+ 0 0 21 -4,-2.8 5,-2.4 -5,-0.3 3,-0.8 0.859 109.7 56.8 -62.7 -37.9 0.1 30.8 56.7 244 37 B F H ><5S+ 0 0 10 -4,-2.0 3,-0.9 1,-0.3 -1,-0.2 0.870 108.1 46.5 -62.8 -36.9 2.0 33.3 54.5 245 38 B Q T 3<5S+ 0 0 87 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.529 109.8 56.2 -83.6 -4.8 -1.2 35.5 54.2 246 39 B K T < 5S- 0 0 144 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.220 126.0 -97.6-107.1 9.9 -1.7 35.1 58.0 247 40 B G T < 5S+ 0 0 34 -3,-0.9 2,-0.8 1,-0.2 -3,-0.2 0.261 88.1 126.8 92.2 -13.3 1.7 36.5 58.9 248 41 B Q < + 0 0 126 -5,-2.4 2,-0.3 -6,-0.2 -2,-0.2 -0.714 27.3 122.3 -83.9 110.5 3.1 33.0 59.3 249 42 B V - 0 0 21 -2,-0.8 2,-0.2 -3,-0.1 -8,-0.0 -0.861 41.1-152.1-168.2 129.5 6.3 32.7 57.2 250 43 B T > - 0 0 81 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.472 33.0-106.5 -99.8 174.7 9.8 31.8 58.1 251 44 B R H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.907 122.4 48.9 -68.1 -40.2 13.1 32.7 56.5 252 45 B D H > S+ 0 0 104 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.861 114.0 46.8 -67.1 -35.1 13.5 29.2 55.1 253 46 B G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.938 110.9 50.3 -71.0 -47.7 10.0 29.3 53.8 254 47 B F H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.892 109.4 52.3 -58.0 -40.9 10.3 32.7 52.3 255 48 B K H X S+ 0 0 39 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.911 106.4 53.7 -61.7 -44.1 13.6 31.7 50.5 256 49 B L H X S+ 0 0 22 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.883 110.0 46.1 -59.8 -40.5 11.9 28.6 49.0 257 50 B V H X S+ 0 0 14 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.851 112.8 49.8 -72.5 -33.4 9.1 30.6 47.5 258 51 B M H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.868 111.4 49.1 -71.2 -36.3 11.5 33.2 46.1 259 52 B A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.952 112.5 48.8 -65.7 -46.4 13.6 30.5 44.6 260 53 B S H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.949 110.3 50.6 -55.6 -52.9 10.4 29.0 43.1 261 54 B L H X S+ 0 0 19 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.860 107.0 55.2 -55.3 -38.4 9.4 32.4 41.7 262 55 B Y H X S+ 0 0 35 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.954 111.6 42.4 -62.0 -49.8 12.8 32.8 40.2 263 56 B H H X S+ 0 0 26 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.920 116.0 49.4 -62.9 -43.8 12.6 29.5 38.2 264 57 B I H X S+ 0 0 2 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.962 115.2 42.3 -59.4 -54.1 9.0 30.1 37.2 265 58 B Y H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.824 111.0 56.3 -65.0 -32.0 9.6 33.6 36.0 266 59 B V H X S+ 0 0 40 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.955 113.5 41.0 -64.0 -46.2 12.8 32.7 34.3 267 60 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.923 117.3 47.5 -66.0 -47.9 10.9 30.0 32.3 268 61 B L H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.957 113.2 46.4 -59.8 -52.4 7.9 32.2 31.6 269 62 B E H X S+ 0 0 21 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.771 110.7 53.7 -66.6 -23.9 9.8 35.3 30.5 270 63 B E H X S+ 0 0 90 -4,-1.4 4,-1.4 -5,-0.3 -1,-0.2 0.930 112.3 43.7 -73.2 -45.1 12.0 33.1 28.2 271 64 B E H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.855 112.0 54.5 -66.7 -34.8 9.0 31.7 26.5 272 65 B I H >< S+ 0 0 9 -4,-2.6 3,-0.6 1,-0.2 4,-0.3 0.937 107.8 48.7 -63.3 -46.3 7.4 35.1 26.4 273 66 B E H 3< S+ 0 0 85 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.809 108.1 56.7 -63.8 -28.5 10.4 36.5 24.6 274 67 B R H 3< S+ 0 0 107 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.784 120.6 27.0 -73.2 -28.9 10.3 33.6 22.2 275 68 B N S X< S+ 0 0 23 -4,-1.2 3,-1.3 -3,-0.6 7,-0.3 0.084 82.8 119.5-121.3 23.2 6.7 34.4 21.2 276 69 B K T 3 S+ 0 0 68 -3,-0.5 9,-0.1 -4,-0.3 -1,-0.1 0.808 80.6 43.7 -59.8 -31.8 6.6 38.1 21.8 277 70 B E T 3 S+ 0 0 172 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.428 89.0 109.0 -95.5 1.4 5.8 39.0 18.1 278 71 B S S X> S- 0 0 35 -3,-1.3 4,-3.3 1,-0.1 3,-2.0 -0.536 75.5-126.4 -78.1 143.0 3.2 36.2 17.6 279 72 B P T 34 S+ 0 0 108 0, 0.0 118,-0.2 0, 0.0 -1,-0.1 0.780 106.9 65.9 -58.9 -26.0 -0.4 37.3 17.3 280 73 B V T 34 S+ 0 0 40 1,-0.1 57,-0.3 2,-0.1 -4,-0.1 0.483 123.7 9.0 -76.0 -2.3 -1.3 34.9 20.1 281 74 B F T X4 S+ 0 0 1 -3,-2.0 3,-2.8 -6,-0.2 -1,-0.1 0.512 100.1 92.1-145.1 -31.0 0.7 36.9 22.7 282 75 B A G >< S+ 0 0 37 -4,-3.3 3,-2.4 -7,-0.3 -2,-0.1 0.843 83.4 61.2 -40.1 -49.6 1.9 40.2 21.2 283 76 B P G 3 S+ 0 0 36 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.726 110.7 41.0 -54.5 -22.8 -1.2 42.1 22.5 284 77 B V G < S+ 0 0 2 -3,-2.8 2,-0.9 108,-0.1 -2,-0.2 0.066 83.6 122.5-113.8 23.9 -0.3 41.2 26.1 285 78 B Y < + 0 0 60 -3,-2.4 -3,-0.0 -9,-0.1 -4,-0.0 -0.784 20.7 153.8 -91.8 105.7 3.5 41.8 25.7 286 79 B F > + 0 0 22 -2,-0.9 4,-2.1 1,-0.1 5,-0.4 -0.614 6.2 164.9-130.1 68.2 4.5 44.4 28.3 287 80 B P H > S+ 0 0 40 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.928 74.6 44.9 -51.4 -55.6 8.2 43.6 28.9 288 81 B E H 4 S+ 0 0 117 1,-0.2 90,-0.3 2,-0.2 91,-0.1 0.888 115.8 44.9 -59.8 -44.7 9.1 46.9 30.7 289 82 B E H 4 S+ 0 0 64 1,-0.1 89,-0.3 89,-0.1 -1,-0.2 0.832 128.0 22.7 -70.5 -33.6 6.0 47.0 32.9 290 83 B L H < S+ 0 0 2 -4,-2.1 -2,-0.2 88,-0.1 -1,-0.1 0.726 75.1 126.6-111.3 -23.3 6.1 43.4 34.0 291 84 B H < + 0 0 68 -4,-2.6 4,-0.1 -5,-0.4 -26,-0.0 -0.073 24.0 172.2 -46.7 131.5 9.4 41.6 33.8 292 85 B R > + 0 0 10 -27,-0.1 4,-2.6 2,-0.1 5,-0.2 0.594 51.3 89.7-116.3 -19.6 10.4 40.1 37.1 293 86 B K H > S+ 0 0 87 1,-0.2 4,-2.3 -28,-0.2 5,-0.2 0.896 91.4 46.7 -47.6 -54.5 13.5 38.0 36.4 294 87 B A H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 111.7 51.2 -58.1 -43.2 16.0 40.7 37.1 295 88 B A H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 78,-0.4 0.924 111.6 48.4 -61.1 -42.3 14.2 41.7 40.3 296 89 B L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.848 108.7 52.6 -66.9 -34.3 14.3 38.1 41.5 297 90 B E H X S+ 0 0 63 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.896 108.2 52.7 -65.6 -39.7 18.0 37.8 40.7 298 91 B Q H X S+ 0 0 111 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.931 113.0 43.8 -59.5 -48.7 18.5 40.9 42.8 299 92 B D H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 3,-0.5 0.877 111.1 51.5 -68.0 -41.8 16.7 39.3 45.7 300 93 B L H X>S+ 0 0 0 -4,-2.5 4,-3.7 1,-0.2 5,-0.6 0.890 103.2 58.9 -65.9 -37.5 18.2 35.8 45.5 301 94 B A H <5S+ 0 0 37 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.816 111.6 44.7 -59.0 -27.5 21.7 37.3 45.5 302 95 B F H <5S+ 0 0 42 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.906 119.8 36.9 -82.4 -46.0 20.6 38.8 48.9 303 96 B W H <5S+ 0 0 13 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.870 132.8 25.9 -76.4 -36.9 19.0 35.8 50.4 304 97 B Y T <5S- 0 0 41 -4,-3.7 3,-0.3 1,-0.2 -3,-0.2 0.476 106.3-128.1-107.4 -3.2 21.4 33.1 49.0 305 98 B G > < - 0 0 18 -5,-0.6 3,-1.8 -4,-0.5 -1,-0.2 -0.196 46.9 -39.3 89.9 179.6 24.6 35.2 48.6 306 99 B P T 3 S+ 0 0 131 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.759 137.5 44.8 -54.9 -31.7 27.1 35.8 45.7 307 100 B R T >> S+ 0 0 182 -3,-0.3 3,-1.9 1,-0.2 4,-0.9 -0.030 71.6 132.0-106.7 33.0 26.9 32.2 44.6 308 101 B W H X> + 0 0 23 -3,-1.8 4,-2.7 1,-0.3 3,-0.8 0.839 65.6 63.7 -49.9 -41.0 23.2 31.8 44.8 309 102 B Q H 34 S+ 0 0 140 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.793 105.4 47.4 -57.7 -26.9 23.0 30.2 41.3 310 103 B E H <4 S+ 0 0 111 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.724 121.9 31.7 -87.4 -21.7 25.1 27.3 42.7 311 104 B V H << S+ 0 0 48 -4,-0.9 -2,-0.2 -3,-0.8 -3,-0.1 0.602 82.2 114.7-114.4 -12.9 23.0 26.8 45.9 312 105 B I < - 0 0 21 -4,-2.7 -56,-0.0 -5,-0.2 -98,-0.0 -0.296 68.9-109.6 -63.4 144.8 19.4 27.6 45.3 313 106 B P - 0 0 12 0, 0.0 -98,-0.1 0, 0.0 2,-0.1 -0.335 28.4-174.8 -71.0 154.5 16.9 24.7 45.5 314 107 B Y - 0 0 90 -100,-0.4 -100,-0.0 -51,-0.0 -2,-0.0 -0.626 19.9-175.7-151.4 78.3 15.3 23.4 42.3 315 108 B T > - 0 0 3 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.112 39.7 -99.9 -73.6 170.6 12.8 20.8 43.6 316 109 B P H > S+ 0 0 65 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.840 122.6 52.6 -65.8 -31.7 10.6 18.5 41.5 317 110 B A H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 103,-0.2 0.872 111.6 47.9 -71.1 -33.6 7.5 20.6 42.0 318 111 B M H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 113.1 47.7 -69.8 -43.3 9.5 23.6 40.7 319 112 B Q H X S+ 0 0 89 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.862 109.7 52.5 -66.6 -35.5 10.8 21.6 37.8 320 113 B R H X S+ 0 0 113 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.939 111.0 47.8 -64.4 -44.8 7.3 20.3 36.9 321 114 B Y H X S+ 0 0 1 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.950 115.0 45.4 -58.5 -50.5 6.1 23.9 36.9 322 115 B V H X S+ 0 0 11 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.860 108.6 57.0 -62.2 -38.0 9.0 25.0 34.7 323 116 B K H X S+ 0 0 116 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.926 107.0 48.8 -60.1 -46.2 8.6 22.0 32.4 324 117 B R H X S+ 0 0 57 -4,-2.2 4,-2.8 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H < S+ 0 0 23 -4,-1.7 3,-1.1 -3,-0.2 7,-0.4 0.147 83.8 116.5-116.4 19.9 -6.6 34.6 78.0 714 69 D K T 3< S+ 0 0 67 -4,-0.7 9,-0.2 1,-0.3 -1,-0.1 0.849 83.2 45.2 -57.4 -34.5 -6.7 38.3 79.0 715 70 D E T 3 S+ 0 0 172 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.562 89.4 104.4 -87.1 -8.5 -7.7 39.3 75.4 716 71 D S S X> S- 0 0 38 -3,-1.1 4,-3.5 1,-0.1 3,-2.7 -0.559 77.3-128.5 -75.4 133.8 -10.3 36.6 75.0 717 72 D P T 34 S+ 0 0 102 0, 0.0 118,-0.2 0, 0.0 -1,-0.1 0.760 106.1 68.6 -51.4 -27.8 -13.9 37.8 75.3 718 73 D V T 34 S+ 0 0 38 1,-0.1 57,-0.2 2,-0.1 -4,-0.1 0.674 123.1 9.8 -68.6 -15.9 -14.5 35.1 77.9 719 74 D F T X4 S+ 0 0 3 -3,-2.7 3,-2.8 -6,-0.3 4,-0.2 0.625 101.2 92.7-131.8 -32.4 -12.2 36.9 80.3 720 75 D A G >< S+ 0 0 37 -4,-3.5 3,-2.4 -7,-0.4 -2,-0.1 0.799 81.6 60.9 -34.9 -53.9 -11.3 40.4 79.0 721 76 D P G 3 S+ 0 0 35 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.705 109.9 41.7 -54.2 -20.4 -14.2 42.2 80.8 722 77 D V G < S+ 0 0 2 -3,-2.8 2,-0.9 108,-0.1 -2,-0.2 0.174 82.7 123.4-113.1 19.1 -12.9 41.2 84.2 723 78 D Y < + 0 0 58 -3,-2.4 -3,-0.0 -4,-0.2 -4,-0.0 -0.716 21.3 155.0 -84.8 106.5 -9.2 41.8 83.4 724 79 D F > + 0 0 19 -2,-0.9 4,-2.0 1,-0.1 5,-0.3 -0.620 6.1 164.3-130.6 69.2 -7.9 44.2 86.0 725 80 D P H > S+ 0 0 42 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.937 71.7 45.7 -53.3 -58.3 -4.1 43.5 86.1 726 81 D E H 4 S+ 0 0 83 1,-0.2 90,-0.3 2,-0.2 91,-0.1 0.881 117.1 44.0 -57.1 -42.7 -2.8 46.6 87.9 727 82 D E H 4 S+ 0 0 59 1,-0.1 89,-0.3 89,-0.1 -1,-0.2 0.826 126.9 25.1 -74.4 -31.9 -5.5 46.6 90.6 728 83 D L H < S+ 0 0 4 -4,-2.0 -2,-0.2 88,-0.1 -1,-0.1 0.759 77.1 121.3-109.7 -25.1 -5.4 42.8 91.4 729 84 D H < + 0 0 46 -4,-2.6 4,-0.1 -5,-0.3 -26,-0.0 -0.080 25.2 170.4 -47.3 133.3 -2.1 41.1 90.6 730 85 D R > + 0 0 4 -27,-0.1 4,-2.6 2,-0.1 5,-0.2 0.525 52.2 90.8-121.1 -14.7 -0.6 39.5 93.7 731 86 D K H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.913 92.1 47.7 -49.9 -48.5 2.3 37.4 92.4 732 87 D A H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 111.3 50.1 -59.6 -47.3 4.7 40.3 92.9 733 88 D A H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 78,-0.4 0.873 111.7 48.8 -60.5 -38.7 3.5 41.0 96.4 734 89 D L H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.880 107.0 55.3 -68.9 -39.2 3.9 37.4 97.3 735 90 D E H X S+ 0 0 5 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.916 107.2 50.2 -59.0 -43.7 7.4 37.2 95.9 736 91 D Q H X S+ 0 0 11 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.875 115.3 45.1 -61.1 -38.8 8.3 40.1 98.1 737 92 D D H >X S+ 0 0 1 -4,-1.5 4,-2.2 2,-0.2 3,-0.6 0.933 110.9 48.6 -71.7 -51.1 6.8 38.2 101.1 738 93 D L H 3X S+ 0 0 0 -4,-3.4 4,-2.4 1,-0.3 5,-0.2 0.749 106.4 58.6 -62.9 -25.7 8.3 34.8 100.5 739 94 D A H 3X S+ 0 0 11 -4,-1.6 4,-0.7 -5,-0.3 -1,-0.3 0.848 110.9 44.4 -70.6 -32.4 11.7 36.4 100.0 740 95 D F H << S+ 0 0 39 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.868 119.5 39.0 -77.9 -39.2 11.2 37.7 103.6 741 96 D W H < S+ 0 0 24 -4,-2.2 -2,-0.2 1,-0.1 -3,-0.2 0.787 131.9 24.6 -83.3 -29.4 9.8 34.4 105.1 742 97 D Y H < S- 0 0 42 -4,-2.4 3,-0.3 1,-0.2 -3,-0.2 0.346 106.0-127.9-116.2 2.6 12.1 32.0 103.3 743 98 D G >< - 0 0 22 -4,-0.7 3,-1.6 -5,-0.2 -1,-0.2 -0.014 51.8 -35.5 76.3 176.4 15.1 34.2 102.5 744 99 D P T 3 S+ 0 0 91 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.755 137.8 44.3 -39.9 -46.5 16.9 34.9 99.2 745 100 D R T >> S+ 0 0 147 -3,-0.3 3,-1.1 1,-0.2 4,-0.7 -0.131 72.0 132.0 -99.0 40.6 16.6 31.4 97.8 746 101 D W H X> + 0 0 1 -3,-1.6 4,-3.0 1,-0.3 3,-1.1 0.868 65.0 63.7 -55.3 -41.4 12.9 31.0 98.8 747 102 D Q H 34 S+ 0 0 110 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.808 107.0 42.7 -54.9 -33.4 12.1 29.7 95.3 748 103 D E H <4 S+ 0 0 129 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.576 121.9 39.4 -90.9 -9.5 14.3 26.7 95.8 749 104 D V H << S+ 0 0 84 -3,-1.1 -2,-0.2 -4,-0.7 -3,-0.2 0.795 82.4 105.5-108.8 -38.5 13.1 26.0 99.4 750 105 D I S < S- 0 0 18 -4,-3.0 2,-0.2 -5,-0.1 -56,-0.1 -0.064 75.0-104.3 -48.7 143.9 9.4 26.7 99.7 751 106 D P - 0 0 35 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.453 25.2-165.6 -73.9 140.0 7.1 23.5 99.9 752 107 D Y - 0 0 102 -2,-0.2 5,-0.0 -51,-0.0 -58,-0.0 -0.704 18.3-168.9-127.1 77.5 5.1 22.3 96.9 753 108 D T > - 0 0 13 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.208 33.7-113.3 -66.8 155.8 2.5 19.9 98.4 754 109 D P H > S+ 0 0 84 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.760 119.1 54.7 -60.4 -27.4 0.4 17.6 96.2 755 110 D A H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.911 108.8 47.7 -71.6 -42.7 -2.7 19.5 97.3 756 111 D M H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.858 111.0 53.2 -63.7 -35.0 -1.1 22.6 96.1 757 112 D Q H X S+ 0 0 83 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.868 106.8 51.0 -68.7 -37.9 -0.3 20.8 92.9 758 113 D R H X S+ 0 0 88 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.968 109.8 48.8 -63.3 -53.2 -3.9 19.7 92.4 759 114 D Y H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.908 116.3 45.0 -51.4 -45.1 -5.2 23.3 92.8 760 115 D V H X S+ 0 0 15 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.848 109.1 54.8 -69.1 -36.8 -2.5 24.4 90.3 761 116 D K H X S+ 0 0 126 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.853 108.4 49.6 -66.6 -34.8 -3.2 21.5 87.9 762 117 D R H X S+ 0 0 39 -4,-2.4 4,-3.2 2,-0.2 3,-0.4 0.964 105.9 56.0 -68.0 -50.3 -6.8 22.5 87.7 763 118 D L H X S+ 0 0 1 -4,-1.9 4,-3.0 1,-0.3 5,-0.2 0.876 110.3 45.0 -47.1 -46.9 -5.9 26.2 87.1 764 119 D H H X S+ 0 0 49 -4,-1.8 4,-2.0 2,-0.2 -1,-0.3 0.812 112.0 52.4 -70.9 -30.5 -3.9 25.2 84.1 765 120 D E H X>S+ 0 0 73 -4,-1.4 4,-3.2 -3,-0.4 5,-0.7 0.982 115.3 41.0 -66.2 -55.8 -6.6 22.8 82.8 766 121 D V H X5S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 3,-0.2 0.975 117.5 47.1 -52.7 -63.4 -9.2 25.6 83.1 767 122 D G H <5S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.818 121.2 37.4 -50.0 -38.1 -6.9 28.3 81.7 768 123 D R H <5S+ 0 0 159 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.772 132.6 18.9 -90.5 -26.4 -5.8 26.1 78.8 769 124 D T H <5S+ 0 0 105 -4,-3.2 -3,-0.2 -3,-0.2 -2,-0.2 0.663 135.8 21.3-118.5 -21.5 -8.9 24.1 77.8 770 125 D E ><< + 0 0 40 -4,-2.6 3,-2.2 -5,-0.7 4,-0.3 -0.427 59.9 164.0-147.8 66.5 -11.9 26.0 79.2 771 126 D P G >> + 0 0 18 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.629 68.7 78.3 -57.8 -19.0 -11.0 29.7 79.9 772 127 D E G 34 S+ 0 0 48 1,-0.3 3,-0.2 2,-0.2 -5,-0.1 0.685 94.9 50.4 -67.0 -16.5 -14.6 30.6 80.1 773 128 D L G X> S+ 0 0 0 -3,-2.2 3,-2.2 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4,-1.6 1,-0.2 3,-0.6 0.925 108.9 51.5 -51.2 -57.0 -7.0 43.1 106.2 791 146 D V H 3> S+ 0 0 85 -4,-0.3 4,-1.5 1,-0.3 3,-0.3 0.903 113.6 46.8 -48.1 -45.7 -8.6 41.2 109.1 792 147 D L H 3X S+ 0 0 28 -4,-2.0 4,-1.2 1,-0.2 -1,-0.3 0.794 102.3 65.9 -66.9 -30.7 -6.2 38.3 108.5 793 148 D K H X S+ 0 0 0 -4,-1.2 4,-1.9 -3,-0.2 3,-0.6 0.898 116.6 38.9 -86.6 -46.8 -0.9 37.4 111.3 797 152 D Q H 3X S+ 0 0 12 -4,-2.3 2,-2.2 1,-0.3 4,-1.2 0.970 114.6 52.1 -69.4 -53.8 1.2 40.3 112.7 798 153 D K H 3< S+ 0 0 141 -4,-2.3 -1,-0.3 1,-0.2 -4,-0.1 -0.300 121.0 34.4 -80.1 56.1 -0.2 40.2 116.2 799 154 D A H <4 S+ 0 0 45 -2,-2.2 -1,-0.2 -3,-0.6 -2,-0.2 0.235 113.8 48.2-171.2 -37.0 0.5 36.5 116.4 800 155 D L H < S- 0 0 11 -4,-1.9 -2,-0.1 -3,-0.2 -3,-0.1 0.508 85.3-145.6 -98.4 -6.6 3.7 35.6 114.5 801 156 D D < - 0 0 127 -4,-1.2 -3,-0.1 -5,-0.2 -4,-0.1 0.906 25.7-171.6 38.0 83.4 5.8 38.4 116.0 802 157 D L - 0 0 11 -5,-0.3 2,-0.2 -212,-0.2 -210,-0.1 -0.758 33.3 -91.0-106.2 150.8 8.0 39.2 113.1 803 158 D P - 0 0 69 0, 0.0 2,-4.7 0, 0.0 4,-0.4 -0.416 41.7-120.0 -59.2 120.7 11.1 41.5 112.9 804 159 D S + 0 0 52 1,-0.2 -216,-0.3 -2,-0.2 -213,-0.1 -0.180 67.6 138.8 -61.5 56.7 9.7 44.9 111.9 805 160 D S S S- 0 0 28 -2,-4.7 -1,-0.2 2,-0.2 -215,-0.1 0.048 75.6-112.2 -89.7 23.0 11.9 44.8 108.8 806 161 D G S S+ 0 0 0 -217,-0.4 -211,-2.1 1,-0.1 2,-0.3 0.785 84.0 98.0 49.2 37.9 8.9 46.3 107.0 807 162 D E + 0 0 15 -4,-0.4 -2,-0.2 -214,-0.2 -214,-0.2 -0.982 41.9 59.5-150.0 157.5 8.3 43.1 105.0 808 163 D G S S+ 0 0 0 -2,-0.3 -215,-0.2 -75,-0.2 3,-0.1 0.091 91.2 64.7 115.6 -25.5 6.2 40.0 104.9 809 164 D L + 0 0 0 -217,-2.9 3,-0.3 1,-0.1 4,-0.1 -0.110 57.9 114.2-123.3 36.5 2.5 41.2 104.7 810 165 D A > + 0 0 5 -77,-0.3 3,-2.6 1,-0.2 -76,-0.1 0.865 68.1 68.4 -73.0 -36.1 2.4 42.9 101.3 811 166 D F T 3 S+ 0 0 6 -78,-0.4 -1,-0.2 1,-0.3 -77,-0.1 0.836 92.8 59.7 -49.4 -38.8 -0.0 40.3 99.9 812 167 D F T 3 S+ 0 0 12 -3,-0.3 2,-0.5 -23,-0.1 -1,-0.3 0.532 97.6 72.7 -71.6 -6.7 -2.7 41.6 102.3 813 168 D T < - 0 0 19 -3,-2.6 3,-0.1 -4,-0.1 -1,-0.1 -0.948 58.9-167.2-118.8 121.1 -2.5 45.0 100.7 814 169 D F > - 0 0 18 -2,-0.5 3,-1.6 3,-0.2 -3,-0.1 -0.816 11.6-176.4-100.5 89.3 -3.8 45.9 97.2 815 170 D P T 3 S+ 0 0 7 0, 0.0 -282,-0.2 0, 0.0 -1,-0.2 0.711 75.8 60.1 -61.4 -22.9 -2.1 49.3 96.8 816 171 D N T 3 S+ 0 0 21 -89,-0.3 2,-0.5 -90,-0.3 -89,-0.1 0.370 92.3 74.0 -90.5 7.0 -3.8 49.9 93.4 817 172 D I < + 0 0 19 -3,-1.6 3,-0.2 1,-0.2 -3,-0.2 -0.935 52.1 174.5-121.9 105.6 -7.3 49.8 94.8 818 173 D A S S+ 0 0 60 -2,-0.5 2,-0.7 1,-0.3 -1,-0.2 0.961 76.9 33.3 -73.1 -56.4 -8.3 52.8 96.9 819 174 D S > - 0 0 43 1,-0.2 4,-2.0 2,-0.0 -1,-0.3 -0.895 65.6-169.8-107.4 107.0 -12.0 52.0 97.5 820 175 D A H > S+ 0 0 39 -2,-0.7 4,-2.1 -3,-0.2 -1,-0.2 0.865 87.5 52.8 -61.8 -38.2 -12.5 48.2 97.9 821 176 D T H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.941 109.9 47.7 -64.3 -47.3 -16.3 48.6 97.8 822 177 D K H > S+ 0 0 143 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.865 111.3 51.0 -62.4 -36.8 -16.2 50.6 94.6 823 178 D F H X S+ 0 0 17 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.918 108.1 53.4 -67.6 -40.8 -13.9 48.1 92.9 824 179 D K H X S+ 0 0 41 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.903 108.4 47.0 -60.7 -45.2 -16.1 45.2 93.9 825 180 D Q H X S+ 0 0 116 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.840 113.4 50.2 -68.5 -29.2 -19.3 46.6 92.4 826 181 D L H X S+ 0 0 73 -4,-1.4 4,-2.2 -5,-0.2 -2,-0.2 0.873 110.6 49.5 -73.2 -37.2 -17.3 47.5 89.2 827 182 D Y H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.877 111.1 49.1 -69.4 -36.8 -15.9 44.0 89.1 828 183 D R H X S+ 0 0 96 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.937 109.3 52.9 -66.2 -46.1 -19.4 42.5 89.5 829 184 D S H X S+ 0 0 69 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.939 112.4 44.1 -52.5 -53.1 -20.8 44.7 86.8 830 185 D R H >< S+ 0 0 90 -4,-2.2 3,-0.6 1,-0.2 4,-0.4 0.918 115.7 48.5 -58.1 -46.9 -18.1 43.5 84.4 831 186 D M H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.864 108.5 53.2 -63.2 -39.1 -18.6 39.9 85.4 832 187 D N H 3< S+ 0 0 46 -4,-3.4 -1,-0.2 1,-0.2 -174,-0.2 0.684 105.2 54.7 -71.8 -18.9 -22.4 40.1 85.1 833 188 D S T << S+ 0 0 73 -4,-1.1 2,-0.4 -3,-0.6 -1,-0.2 0.488 77.7 124.6 -90.8 -5.0 -22.1 41.4 81.5 834 189 D L < - 0 0 14 -3,-1.0 2,-0.3 -4,-0.4 -176,-0.1 -0.407 61.5-134.7 -60.6 111.2 -19.9 38.4 80.6 835 190 D E + 0 0 179 -2,-0.4 2,-0.3 -118,-0.2 -1,-0.1 -0.520 39.2 152.0 -72.8 131.2 -21.7 36.8 77.6 836 191 D M - 0 0 50 -2,-0.3 -118,-0.0 4,-0.0 -2,-0.0 -0.993 43.5-106.5-160.5 152.2 -22.0 33.0 77.8 837 192 D T > - 0 0 79 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.212 42.1-106.3 -70.6 167.6 -24.1 30.0 76.8 838 193 D P H > S+ 0 0 98 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.935 120.0 51.6 -63.4 -46.3 -26.4 28.2 79.3 839 194 D A H > S+ 0 0 46 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.875 112.4 48.3 -57.8 -38.2 -24.1 25.2 79.6 840 195 D V H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.953 108.0 51.8 -68.4 -51.2 -21.2 27.5 80.2 841 196 D R H X S+ 0 0 77 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.921 113.2 46.3 -51.9 -45.9 -22.9 29.6 82.9 842 197 D Q H X S+ 0 0 141 -4,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.824 112.4 50.3 -66.5 -30.7 -23.9 26.4 84.7 843 198 D R H X S+ 0 0 115 -4,-1.4 4,-2.5 -3,-0.3 -1,-0.2 0.768 108.3 54.3 -76.9 -25.8 -20.3 25.1 84.3 844 199 D V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.904 108.8 46.7 -72.2 -44.0 -19.0 28.5 85.7 845 200 D I H X S+ 0 0 20 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.887 114.5 48.3 -65.0 -39.1 -21.1 28.2 88.8 846 201 D E H >X S+ 0 0 104 -4,-1.6 4,-1.8 1,-0.2 3,-0.8 0.947 109.6 51.3 -66.5 -47.7 -20.0 24.6 89.2 847 202 D E H 3X S+ 0 0 10 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.830 103.7 59.9 -57.8 -32.4 -16.3 25.6 88.7 848 203 D A H 3X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -1,-0.3 0.880 104.6 49.7 -62.9 -36.8 -16.9 28.2 91.4 849 204 D K H