==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT/ANTIBIOTIC 27-SEP-12 4HAX . COMPND 2 MOLECULE: EXPORTIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Q.SUN,Y.M.CHOOK . 1348 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58483.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1025 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 58 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 152 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 691 51.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.1 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 7 2 3 4 0 1 2 3 0 4 7 2 5 4 2 4 2 4 0 2 0 0 0 0 1 1 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 3 0 1 0 2 0 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 1 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 C G > 0 0 81 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 172.3 35.1 37.8 30.5 2 0 C A G > + 0 0 81 1,-0.2 3,-1.4 2,-0.2 4,-0.2 0.852 360.0 62.5 -56.7 -38.2 36.3 36.9 34.0 3 1 C M G > S+ 0 0 19 1,-0.2 3,-1.0 2,-0.1 -1,-0.2 0.735 87.4 71.0 -62.5 -25.5 32.7 36.2 35.1 4 2 C E G X S+ 0 0 103 -3,-1.2 3,-2.3 1,-0.2 4,-0.3 0.684 72.1 91.3 -69.8 -16.1 32.3 33.3 32.6 5 3 C G G X S+ 0 0 40 -3,-1.4 3,-2.1 -4,-0.3 -1,-0.2 0.816 74.6 64.4 -45.4 -40.7 34.6 31.1 34.6 6 4 C I G < S+ 0 0 5 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.738 92.7 64.6 -62.7 -20.6 31.8 29.6 36.7 7 5 C L G < S+ 0 0 50 -3,-2.3 2,-1.1 -4,-0.2 -1,-0.3 0.591 80.7 88.9 -76.5 -11.6 30.4 28.1 33.5 8 6 C D X + 0 0 79 -3,-2.1 3,-1.1 -4,-0.3 -1,-0.1 -0.739 51.3 175.4 -90.8 95.6 33.5 25.8 33.1 9 7 C F T 3 + 0 0 48 -2,-1.1 -1,-0.2 1,-0.2 4,-0.1 0.600 67.6 79.5 -77.7 -11.8 32.5 22.7 35.1 10 8 C S T 3 S+ 0 0 94 -3,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.689 95.8 55.4 -66.6 -20.3 35.7 20.9 34.2 11 9 C N S < S- 0 0 96 -3,-1.1 3,-0.1 -6,-0.2 2,-0.0 -0.728 105.2 -87.2-106.8 163.5 37.3 23.0 36.9 12 10 C D - 0 0 146 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 -0.331 54.5 -96.2 -66.2 150.7 36.4 23.3 40.6 13 11 C L - 0 0 14 -4,-0.1 2,-1.2 1,-0.1 3,-0.1 -0.588 27.1-141.0 -77.3 121.1 33.8 26.0 41.3 14 12 C D > - 0 0 89 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 -0.695 16.5-171.2 -79.1 98.2 35.2 29.3 42.4 15 13 C I H > S+ 0 0 19 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.863 84.3 55.5 -61.1 -38.6 32.7 30.3 45.1 16 14 C A H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 108.3 47.9 -59.0 -46.1 34.3 33.7 45.4 17 15 C L H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.892 109.7 53.7 -62.1 -40.0 33.8 34.3 41.6 18 16 C L H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.916 108.1 49.6 -60.2 -44.6 30.2 33.1 42.0 19 17 C D H X S+ 0 0 16 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.891 110.0 51.4 -62.5 -40.0 29.6 35.6 44.7 20 18 C Q H X S+ 0 0 99 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.912 111.5 46.9 -61.0 -44.4 31.1 38.4 42.5 21 19 C V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.935 113.2 49.0 -65.4 -45.1 28.8 37.4 39.6 22 20 C V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.925 113.4 44.5 -61.1 -49.1 25.7 37.3 41.8 23 21 C S H X S+ 0 0 43 -4,-2.6 4,-2.5 1,-0.2 5,-0.4 0.808 109.8 57.5 -71.0 -27.4 26.3 40.7 43.5 24 22 C T H X S+ 0 0 33 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.895 112.3 42.0 -62.2 -40.2 27.2 42.1 40.1 25 23 C F H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.930 123.8 34.9 -71.6 -48.3 23.7 41.0 39.0 26 24 C Y H < S+ 0 0 16 -4,-2.8 -3,-0.2 1,-0.1 -2,-0.2 0.880 134.1 24.2 -76.9 -38.4 21.8 42.0 42.1 27 25 C Q H < S+ 0 0 116 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.475 111.1 75.0-108.8 -5.7 23.7 45.2 43.0 28 26 C G < - 0 0 31 -4,-1.0 2,-0.3 -5,-0.4 -4,-0.1 -0.072 60.0-154.7 -92.6-164.1 25.2 46.3 39.7 29 27 C S >> + 0 0 90 -2,-0.0 4,-1.7 1029,-0.0 3,-0.6 -0.901 45.7 22.8-156.5-179.3 23.7 47.9 36.6 30 28 C G H 3> S- 0 0 56 -2,-0.3 4,-1.4 1,-0.2 1028,-0.1 -0.164 117.2 -16.1 60.3-134.8 24.1 48.4 32.8 31 29 C V H 3> S+ 0 0 105 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.822 134.6 57.1 -78.3 -35.4 26.0 45.9 30.7 32 30 C Q H <> S+ 0 0 112 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.877 109.1 46.9 -62.1 -40.7 27.8 44.2 33.6 33 31 C Q H X S+ 0 0 15 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.907 113.2 49.2 -66.2 -43.4 24.4 43.4 35.2 34 32 C K H X S+ 0 0 129 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.906 112.6 47.2 -64.1 -43.6 23.1 42.1 31.9 35 33 C Q H X S+ 0 0 93 -4,-2.8 4,-2.2 1,-0.2 3,-0.3 0.949 111.7 50.3 -62.0 -50.1 26.1 39.9 31.3 36 34 C A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.876 106.1 56.9 -54.8 -42.7 26.0 38.5 34.9 37 35 C Q H X S+ 0 0 13 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.902 108.6 45.3 -57.9 -44.9 22.3 37.7 34.5 38 36 C E H X S+ 0 0 86 -4,-1.5 4,-2.6 -3,-0.3 -1,-0.2 0.901 112.2 52.3 -65.9 -42.2 23.0 35.5 31.4 39 37 C I H X S+ 0 0 12 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.943 111.8 45.7 -57.3 -49.7 26.0 33.8 33.1 40 38 C L H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.870 111.6 51.7 -64.4 -40.5 23.8 32.9 36.2 41 39 C T H X S+ 0 0 23 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.921 112.7 45.4 -62.0 -45.1 21.0 31.7 34.0 42 40 C K H X S+ 0 0 128 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.897 113.9 50.1 -63.9 -41.9 23.4 29.5 32.1 43 41 C F H >< S+ 0 0 1 -4,-2.7 3,-1.2 -5,-0.2 -2,-0.2 0.959 113.0 45.9 -58.2 -53.0 25.0 28.3 35.3 44 42 C Q H 3< S+ 0 0 3 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.884 110.9 52.2 -59.0 -43.0 21.6 27.5 36.9 45 43 C D H 3< S+ 0 0 86 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.530 79.9 112.6 -76.9 -6.0 20.3 25.7 33.8 46 44 C N S X< S- 0 0 44 -3,-1.2 3,-2.4 -4,-0.6 4,-0.3 -0.568 70.5-137.1 -67.9 119.2 23.3 23.4 33.6 47 45 C P T 3 S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.579 102.3 45.5 -61.6 -10.4 22.0 19.9 34.5 48 46 C D T > S+ 0 0 85 1,-0.1 3,-2.0 2,-0.1 4,-0.4 0.436 82.5 100.7-102.7 -1.9 25.0 19.1 36.8 49 47 C A G X S+ 0 0 0 -3,-2.4 3,-1.4 1,-0.3 4,-0.2 0.749 70.3 67.8 -54.6 -27.6 24.8 22.5 38.6 50 48 C W G > S+ 0 0 41 -4,-0.3 3,-1.7 1,-0.3 4,-0.5 0.775 86.0 67.0 -66.2 -28.4 23.0 20.9 41.5 51 49 C Q G < S+ 0 0 106 -3,-2.0 4,-0.4 1,-0.3 -1,-0.3 0.729 98.8 54.5 -64.1 -21.2 26.0 18.9 42.5 52 50 C K G <> S+ 0 0 42 -3,-1.4 4,-2.4 -4,-0.4 -1,-0.3 0.502 84.7 89.9 -83.8 -6.9 27.6 22.3 43.3 53 51 C A H <> S+ 0 0 0 -3,-1.7 4,-3.0 1,-0.2 5,-0.2 0.914 86.4 45.5 -63.9 -47.1 24.7 23.2 45.7 54 52 C D H > S+ 0 0 56 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.930 113.5 51.8 -60.1 -45.4 26.1 21.8 48.9 55 53 C Q H > S+ 0 0 55 -4,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.892 112.8 45.0 -56.3 -44.8 29.5 23.4 48.0 56 54 C I H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.924 112.5 51.6 -67.1 -44.2 27.8 26.8 47.5 57 55 C L H < S+ 0 0 16 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.920 115.5 40.7 -59.2 -45.4 25.7 26.4 50.7 58 56 C Q H < S+ 0 0 115 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.896 127.2 27.0 -69.3 -43.7 28.7 25.6 52.9 59 57 C F H < S+ 0 0 131 -4,-1.9 2,-0.3 -5,-0.2 -2,-0.2 0.494 90.6 104.7-109.3 -7.9 31.3 28.1 51.6 60 58 C S < - 0 0 7 -4,-2.0 -44,-0.1 -5,-0.2 -45,-0.0 -0.600 45.4-164.9 -82.8 139.4 29.4 31.1 50.1 61 59 C T + 0 0 131 -2,-0.3 -1,-0.1 -46,-0.1 -4,-0.1 0.217 68.3 88.6 -97.2 9.5 29.2 34.4 52.0 62 60 C N > - 0 0 18 1,-0.1 4,-1.6 2,-0.0 3,-0.3 -0.948 62.2-156.2-118.4 119.2 26.4 35.6 49.8 63 61 C P H > S+ 0 0 34 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.835 97.0 54.2 -57.8 -36.6 22.7 35.0 50.7 64 62 C Q H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.839 104.9 54.3 -70.6 -34.2 21.6 35.4 47.0 65 63 C S H > S+ 0 0 1 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.913 111.0 45.1 -60.5 -45.2 24.1 32.8 45.9 66 64 C K H X S+ 0 0 50 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.864 110.7 54.7 -69.4 -36.4 22.7 30.3 48.4 67 65 C F H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.947 110.7 44.8 -57.1 -50.5 19.2 31.3 47.3 68 66 C I H X S+ 0 0 5 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.866 108.8 57.9 -63.9 -36.1 20.1 30.5 43.7 69 67 C A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.923 107.4 47.4 -55.6 -45.9 21.7 27.3 44.9 70 68 C L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.832 106.1 57.1 -68.0 -34.2 18.3 26.3 46.4 71 69 C S H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.878 105.8 52.0 -61.6 -37.0 16.5 27.2 43.2 72 70 C I H X S+ 0 0 6 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.919 112.0 44.7 -65.6 -46.4 18.8 24.7 41.4 73 71 C L H X S+ 0 0 0 -4,-1.8 4,-3.6 2,-0.2 5,-0.2 0.917 110.2 55.9 -60.7 -45.1 17.9 22.0 43.9 74 72 C D H X S+ 0 0 15 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.918 107.9 48.2 -53.2 -47.9 14.2 22.9 43.7 75 73 C K H X S+ 0 0 50 -4,-2.2 4,-1.4 1,-0.2 5,-0.4 0.916 114.4 46.1 -61.5 -44.7 14.3 22.3 39.9 76 74 C L H X>S+ 0 0 12 -4,-2.0 4,-2.2 1,-0.2 5,-0.5 0.931 113.9 49.2 -58.9 -48.0 16.1 19.0 40.4 77 75 C I H <5S+ 0 0 0 -4,-3.6 4,-0.4 1,-0.2 -2,-0.2 0.881 115.3 42.0 -62.6 -40.0 13.6 18.0 43.2 78 76 C T H <5S+ 0 0 39 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.719 129.2 23.8 -84.5 -20.6 10.5 18.8 41.3 79 77 C R H <5S+ 0 0 113 -4,-1.4 928,-1.3 -5,-0.2 -3,-0.2 0.796 133.4 18.6-114.6 -39.9 11.5 17.4 37.9 80 78 C K T >X5S+ 0 0 93 -4,-2.2 3,-1.8 -5,-0.4 4,-0.9 0.182 78.2 120.9-124.8 17.4 14.3 14.7 38.1 81 79 C W G >4> - 0 0 71 0, 0.0 4,-1.3 0, 0.0 3,-0.7 -0.457 38.4-108.5 -68.1 152.9 20.4 7.2 43.1 86 84 C N H 3> S+ 0 0 82 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.778 116.4 55.0 -61.2 -30.3 18.9 6.7 46.5 87 85 C D H 3> S+ 0 0 107 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.862 103.9 54.5 -71.2 -36.0 22.0 7.9 48.4 88 86 C H H <> S+ 0 0 77 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.833 108.4 50.4 -64.4 -32.5 21.9 11.3 46.6 89 87 C R H X S+ 0 0 43 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.937 112.5 44.8 -69.4 -48.6 18.3 11.7 47.7 90 88 C I H X S+ 0 0 73 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.908 114.9 51.2 -55.0 -46.4 19.2 10.9 51.4 91 89 C G H X S+ 0 0 32 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.932 110.7 45.5 -59.2 -51.2 22.2 13.3 51.0 92 90 C I H X S+ 0 0 5 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.905 113.8 50.7 -62.2 -42.9 20.2 16.2 49.6 93 91 C R H >X S+ 0 0 38 -4,-2.5 4,-2.8 1,-0.2 3,-0.6 0.969 109.4 51.2 -56.0 -53.5 17.6 15.7 52.2 94 92 C N H 3X S+ 0 0 95 -4,-2.8 4,-2.8 1,-0.3 -2,-0.2 0.883 110.8 44.9 -58.3 -44.6 20.1 15.7 55.0 95 93 C F H 3X S+ 0 0 41 -4,-2.2 4,-1.2 2,-0.2 -1,-0.3 0.728 113.6 51.0 -78.8 -16.4 21.9 18.9 54.1 96 94 C V H X S+ 0 0 80 -4,-2.3 4,-2.2 1,-0.2 3,-0.6 0.956 114.3 50.4 -51.1 -55.0 18.3 23.6 61.8 102 100 C S H 3X S+ 0 0 65 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.851 110.6 47.4 -54.6 -42.4 21.7 25.4 61.7 103 101 C M H 3< S+ 0 0 12 -4,-2.2 7,-0.5 1,-0.2 -1,-0.2 0.739 112.2 50.6 -76.8 -22.5 20.3 28.7 60.5 104 102 C C H << S+ 0 0 1 -4,-1.7 -2,-0.2 -3,-0.6 -1,-0.2 0.853 106.7 53.3 -79.0 -38.8 17.5 28.6 63.2 105 103 C Q H < S+ 0 0 131 -4,-2.2 2,-1.0 -5,-0.2 -2,-0.2 0.929 96.3 72.4 -60.2 -48.2 20.0 27.9 66.1 106 104 C D S X S- 0 0 85 -4,-1.5 4,-2.3 -5,-0.2 3,-0.4 -0.608 73.4-160.8 -72.2 99.8 22.1 30.9 65.2 107 105 C D H > S+ 0 0 108 -2,-1.0 4,-1.9 1,-0.2 5,-0.2 0.822 85.3 58.0 -50.8 -40.8 19.9 33.8 66.3 108 106 C E H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.947 111.2 41.0 -59.4 -49.5 21.8 36.4 64.2 109 107 C V H > S+ 0 0 33 -3,-0.4 4,-3.2 1,-0.2 -2,-0.2 0.926 110.7 56.5 -64.7 -50.2 21.1 34.5 60.9 110 108 C F H < S+ 0 0 11 -4,-2.3 -1,-0.2 -7,-0.5 -2,-0.2 0.851 113.6 42.8 -48.7 -38.6 17.5 33.6 61.9 111 109 C K H < S+ 0 0 148 -4,-1.9 3,-0.3 -5,-0.2 -2,-0.2 0.936 125.1 30.0 -75.4 -46.9 16.8 37.3 62.3 112 110 C T H < S+ 0 0 69 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.595 113.7 56.5 -97.2 -14.9 18.6 38.7 59.3 113 111 C Q X + 0 0 64 -4,-3.2 4,-1.9 -5,-0.2 -1,-0.2 -0.380 58.7 137.6-115.4 52.3 18.4 35.9 56.6 114 112 C K H > S+ 0 0 66 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.856 70.1 55.4 -67.8 -38.8 14.6 35.4 56.4 115 113 C N H > S+ 0 0 52 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 110.1 46.9 -57.2 -43.7 14.5 35.2 52.6 116 114 C L H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.895 112.5 47.9 -70.3 -40.6 17.0 32.3 52.7 117 115 C I H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.917 112.1 49.4 -67.7 -42.8 15.3 30.4 55.5 118 116 C N H X S+ 0 0 13 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.896 112.9 48.2 -60.6 -40.0 11.9 30.7 53.8 119 117 C K H X S+ 0 0 9 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.888 110.4 51.3 -67.3 -40.4 13.5 29.5 50.6 120 118 C S H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.848 110.1 50.7 -62.2 -35.8 15.1 26.6 52.4 121 119 C D H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.885 108.6 49.5 -72.2 -42.8 11.7 25.7 53.9 122 120 C L H X S+ 0 0 16 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.918 110.4 52.2 -59.3 -42.1 10.0 25.7 50.5 123 121 C T H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.907 108.5 50.4 -63.7 -41.5 12.8 23.5 49.2 124 122 C L H X S+ 0 0 11 -4,-2.0 4,-2.6 1,-0.2 3,-0.3 0.928 107.1 54.5 -56.9 -47.8 12.2 21.1 52.2 125 123 C V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.888 103.1 56.4 -56.6 -38.3 8.5 21.1 51.3 126 124 C Q H X S+ 0 0 20 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.890 107.4 48.9 -60.2 -39.2 9.4 20.0 47.8 127 125 C I H >X S+ 0 0 0 -4,-1.5 4,-2.9 -3,-0.3 3,-0.8 0.941 108.6 53.8 -65.3 -45.7 11.3 17.0 49.2 128 126 C L H 3X S+ 0 0 0 -4,-2.6 4,-3.6 1,-0.2 -2,-0.2 0.928 102.3 57.6 -52.2 -47.8 8.2 16.2 51.4 129 127 C K H 3< S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.809 116.4 36.0 -55.6 -32.5 6.0 16.2 48.3 130 128 C Q H << S+ 0 0 21 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.857 132.6 24.3 -83.2 -41.0 8.2 13.5 46.8 131 129 C E H X S+ 0 0 17 -4,-2.9 4,-2.4 -5,-0.1 -3,-0.2 0.602 88.6 134.5-106.7 -17.4 9.1 11.5 49.9 132 130 C W T < S- 0 0 0 -4,-3.6 55,-0.1 -5,-0.3 2,-0.1 -0.756 74.4 -17.2-109.5 141.8 6.4 12.0 52.6 133 131 C P T >4 S+ 0 0 23 0, 0.0 3,-2.9 0, 0.0 -1,-0.2 -0.973 127.6 59.1 -86.4 -18.5 5.0 10.1 54.4 134 132 C Q T 34 S+ 0 0 107 1,-0.3 -2,-0.2 2,-0.2 -3,-0.1 0.771 124.4 22.4 -42.4 -45.9 5.8 6.8 52.6 135 133 C N T 3< S+ 0 0 85 -4,-2.4 -1,-0.3 1,-0.2 -3,-0.2 -0.039 135.5 38.7-112.9 28.8 9.6 7.2 52.9 136 134 C W X + 0 0 25 -3,-2.9 3,-1.7 -5,-0.0 -2,-0.2 -0.057 62.7 159.0-168.1 51.5 9.6 9.6 55.8 137 135 C P T 3 S+ 0 0 75 0, 0.0 3,-0.3 0, 0.0 -3,-0.1 0.672 72.3 55.1 -61.3 -22.3 6.8 8.6 58.2 138 136 C E T 3> S+ 0 0 99 1,-0.2 4,-2.2 2,-0.1 5,-0.3 0.262 72.7 106.1 -98.0 13.2 8.3 10.4 61.3 139 137 C F H <> S+ 0 0 16 -3,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.931 82.7 42.1 -59.1 -50.9 8.6 13.9 59.8 140 138 C I H > S+ 0 0 1 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.939 114.9 48.0 -66.7 -49.8 5.6 15.4 61.7 141 139 C P H > S+ 0 0 58 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.913 115.2 46.2 -57.7 -41.4 6.3 13.8 65.1 142 140 C E H X S+ 0 0 127 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.852 112.5 51.4 -68.4 -35.2 10.0 14.9 64.9 143 141 C L H X S+ 0 0 7 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.900 112.5 46.3 -62.1 -44.4 8.9 18.3 63.7 144 142 C I H >X S+ 0 0 44 -4,-3.0 4,-1.0 2,-0.2 3,-0.5 0.926 113.6 47.5 -65.0 -48.0 6.5 18.5 66.7 145 143 C G H >X S+ 0 0 41 -4,-2.9 4,-0.7 1,-0.2 3,-0.6 0.943 109.1 54.0 -58.0 -48.4 9.2 17.3 69.2 146 144 C S H 3< S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.710 97.9 67.1 -60.5 -24.5 11.8 19.7 67.8 147 145 C S H X< S+ 0 0 4 -4,-0.9 3,-1.6 -3,-0.5 7,-0.5 0.940 93.9 55.7 -64.0 -48.3 9.4 22.6 68.4 148 146 C S H << S+ 0 0 110 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.812 100.8 61.4 -50.8 -35.5 9.5 22.4 72.2 149 147 C S T 3< S+ 0 0 93 -4,-0.7 -1,-0.3 -3,-0.2 2,-0.2 0.393 113.5 16.0 -80.3 0.2 13.3 22.7 72.2 150 148 C S <> - 0 0 37 -3,-1.6 4,-2.4 -4,-0.2 -1,-0.2 -0.842 54.1-143.6-175.2 133.2 13.7 26.2 70.7 151 149 C V H > S+ 0 0 77 -2,-0.2 4,-2.2 2,-0.2 5,-0.1 0.844 105.6 51.8 -72.8 -34.8 11.5 29.3 69.9 152 150 C N H > S+ 0 0 24 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 114.3 43.4 -64.1 -44.0 13.2 30.0 66.6 153 151 C V H > S+ 0 0 20 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.903 111.9 52.7 -69.7 -43.8 12.7 26.4 65.4 154 152 C C H X S+ 0 0 9 -4,-2.4 4,-1.5 -7,-0.5 -2,-0.2 0.949 111.1 48.1 -56.0 -49.1 9.1 26.3 66.7 155 153 C E H X S+ 0 0 15 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.866 113.2 47.4 -57.6 -41.4 8.4 29.5 64.7 156 154 C N H X S+ 0 0 2 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.833 103.8 60.5 -75.0 -33.1 10.1 28.1 61.6 157 155 C N H X S+ 0 0 18 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.875 102.3 54.8 -56.4 -37.1 8.2 24.8 61.9 158 156 C M H X S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.872 106.6 50.2 -64.7 -38.5 5.0 26.9 61.5 159 157 C I H X S+ 0 0 21 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.932 111.2 48.7 -62.4 -47.7 6.4 28.4 58.3 160 158 C V H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.919 113.0 47.2 -59.0 -44.6 7.2 24.9 57.0 161 159 C L H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.853 109.8 53.6 -67.9 -34.8 3.7 23.6 57.9 162 160 C K H X S+ 0 0 33 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.935 111.4 45.8 -60.9 -48.3 2.0 26.7 56.3 163 161 C L H X S+ 0 0 8 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.883 111.5 51.7 -64.5 -41.6 3.8 26.0 53.1 164 162 C L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.923 109.5 49.2 -62.0 -46.3 3.0 22.3 53.1 165 163 C S H X>S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.7 0.926 113.0 49.2 -59.2 -43.4 -0.7 23.0 53.7 166 164 C E H X>S+ 0 0 17 -4,-2.2 5,-1.6 1,-0.2 4,-1.5 0.933 112.3 46.1 -58.2 -49.7 -0.5 25.5 50.8 167 165 C E H <5S+ 0 0 3 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.817 120.3 39.9 -66.4 -30.4 1.2 23.1 48.4 168 166 C V H <5S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.878 130.6 18.9 -89.1 -40.8 -1.1 20.2 49.3 169 167 C F H <5S+ 0 0 44 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.745 129.1 35.0-104.9 -29.1 -4.5 21.9 49.5 170 168 C D T < + 0 0 5 -6,-0.2 4,-2.0 2,-0.1 9,-0.1 0.676 65.1 80.4 -89.2 -23.1 -2.0 21.1 44.1 173 171 C A H 4 S+ 0 0 88 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.942 105.8 28.3 -56.2 -52.1 -4.8 21.0 41.5 174 172 C E H 4 S+ 0 0 91 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.798 124.7 49.1 -75.5 -28.2 -2.6 22.1 38.6 175 173 C Q H < S+ 0 0 64 -4,-0.5 2,-0.3 -8,-0.1 -2,-0.2 0.526 107.3 41.6-100.1 -10.7 0.7 20.7 39.9 176 174 C M S < S- 0 0 10 -4,-2.0 2,-0.1 -3,-0.2 826,-0.1 -0.923 82.6 -99.9-132.5 161.1 -0.1 17.1 40.9 177 175 C T > - 0 0 5 -2,-0.3 4,-2.6 1,-0.1 3,-0.3 -0.433 40.5-109.3 -73.5 155.2 -2.0 14.1 39.6 178 176 C Q H > S+ 0 0 71 1,-0.2 4,-2.4 817,-0.2 5,-0.2 0.905 119.6 50.2 -50.4 -46.4 -5.4 13.5 41.1 179 177 C A H > S+ 0 0 22 834,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.837 111.2 46.9 -64.7 -37.6 -4.0 10.4 42.9 180 178 C K H > S+ 0 0 38 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.887 111.2 51.9 -73.9 -38.1 -1.0 12.1 44.4 181 179 C A H X S+ 0 0 9 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.939 111.0 47.6 -61.2 -49.2 -3.1 15.1 45.6 182 180 C L H X S+ 0 0 79 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.910 110.6 53.3 -55.5 -46.5 -5.5 12.7 47.3 183 181 C H H X S+ 0 0 74 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.932 112.6 42.2 -57.1 -47.9 -2.6 10.8 48.9 184 182 C L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.851 113.6 51.3 -73.8 -35.4 -1.0 14.0 50.3 185 183 C K H X S+ 0 0 73 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.912 112.6 46.8 -63.9 -45.2 -4.3 15.5 51.6 186 184 C N H X S+ 0 0 68 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.866 110.7 53.4 -61.8 -38.3 -5.1 12.2 53.3 187 185 C S H X S+ 0 0 10 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.894 111.9 43.9 -66.0 -39.7 -1.7 12.1 54.8 188 186 C M H X S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.892 112.2 54.3 -71.5 -38.6 -2.0 15.6 56.2 189 187 C S H >< S+ 0 0 62 -4,-2.5 3,-0.9 1,-0.2 4,-0.5 0.904 105.6 52.6 -57.9 -45.2 -5.5 14.8 57.4 190 188 C K H 3< S+ 0 0 159 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.880 117.5 35.7 -66.2 -36.1 -4.4 11.7 59.4 191 189 C E H 3X S+ 0 0 41 -4,-1.3 4,-1.4 1,-0.2 3,-0.5 0.367 90.6 97.6 -95.9 6.6 -1.6 13.6 61.3 192 190 C F H S+ 0 0 82 -4,-0.5 4,-2.0 -3,-0.3 -1,-0.2 0.868 106.3 43.2 -44.3 -46.3 -4.8 16.2 65.3 194 192 C Q H > S+ 0 0 101 -3,-0.5 4,-2.0 2,-0.2 -1,-0.3 0.892 111.9 54.0 -69.3 -39.2 -1.2 16.4 66.5 195 193 C I H X S+ 0 0 4 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.940 111.1 45.7 -60.1 -47.1 -0.5 19.4 64.3 196 194 C F H X S+ 0 0 9 -4,-3.3 4,-3.7 2,-0.2 5,-0.3 0.889 106.8 58.7 -61.9 -42.0 -3.4 21.3 65.8 197 195 C K H X S+ 0 0 121 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.916 110.3 42.6 -55.7 -45.3 -2.5 20.3 69.3 198 196 C L H X S+ 0 0 14 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.917 114.9 51.6 -65.5 -43.6 0.9 22.0 68.9 199 197 C C H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.930 112.7 44.2 -58.0 -50.2 -0.8 25.0 67.2 200 198 C F H X S+ 0 0 35 -4,-3.7 4,-2.6 2,-0.2 5,-0.2 0.935 111.9 53.2 -62.4 -46.7 -3.3 25.4 70.0 201 199 C Q H X S+ 0 0 75 -4,-2.3 4,-3.6 -5,-0.3 5,-0.2 0.931 110.5 46.8 -53.8 -50.4 -0.7 25.0 72.7 202 200 C V H X S+ 0 0 15 -4,-2.5 4,-1.8 1,-0.2 5,-0.5 0.919 112.8 49.2 -60.2 -44.6 1.5 27.7 71.2 203 201 C L H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.865 116.5 43.1 -63.3 -36.7 -1.5 30.1 70.8 204 202 C E H < S+ 0 0 95 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.945 108.6 55.9 -74.6 -50.4 -2.5 29.5 74.4 205 203 C Q H < S- 0 0 135 -4,-3.6 -2,-0.2 -5,-0.2 -1,-0.2 0.802 90.2-164.9 -49.1 -35.1 1.1 29.7 75.8 206 204 C G < + 0 0 37 -4,-1.8 2,-0.4 -5,-0.2 -3,-0.1 0.837 28.5 144.6 51.9 50.6 1.1 33.1 74.1 207 205 C S + 0 0 84 -5,-0.5 -1,-0.2 1,-0.2 4,-0.1 -0.987 49.9 17.0-123.1 131.2 4.8 33.9 74.1 208 206 C S > - 0 0 51 -2,-0.4 4,-2.1 3,-0.1 -1,-0.2 0.732 63.6-134.3 79.1 115.7 6.7 35.8 71.4 209 207 C S H > S+ 0 0 55 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.927 104.6 51.4 -63.1 -44.4 4.7 37.9 68.9 210 208 C S H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 111.6 46.5 -67.6 -38.1 6.6 36.5 65.8 211 209 C L H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 115.7 47.2 -63.4 -42.7 6.0 32.9 66.8 212 210 C I H X S+ 0 0 8 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.927 111.8 49.5 -64.8 -44.4 2.4 33.7 67.5 213 211 C V H X S+ 0 0 38 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.942 111.7 48.8 -62.5 -44.9 2.0 35.5 64.2 214 212 C A H X S+ 0 0 14 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.870 110.7 51.7 -59.7 -36.3 3.6 32.6 62.3 215 213 C T H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.920 110.1 47.5 -70.3 -41.9 1.3 30.2 64.1 216 214 C L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.848 107.7 57.0 -66.1 -34.9 -1.8 32.2 63.1 217 215 C E H X S+ 0 0 47 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.916 108.1 47.1 -62.2 -42.4 -0.5 32.4 59.5 218 216 C S H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 3,-0.3 0.921 109.6 54.6 -63.1 -42.0 -0.4 28.6 59.4 219 217 C L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.880 99.5 60.6 -57.7 -41.1 -3.9 28.5 60.9 220 218 C L H < S+ 0 0 18 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.919 109.5 43.4 -53.2 -45.3 -5.2 30.7 58.1 221 219 C R H >< S+ 0 0 37 -4,-1.2 3,-1.8 -3,-0.3 4,-0.3 0.902 109.6 55.2 -64.5 -45.1 -4.2 28.0 55.7 222 220 C Y H >X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.3 3,-2.4 0.885 95.9 67.5 -60.0 -38.7 -5.5 25.1 57.8 223 221 C L T 3< S+ 0 0 7 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.645 84.5 73.3 -57.0 -17.1 -8.9 26.8 57.9 224 222 C H T <4 S+ 0 0 86 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.728 122.5 0.7 -66.9 -20.9 -9.3 26.1 54.1 225 223 C W T <4 S+ 0 0 47 -3,-2.4 -2,-0.2 -4,-0.3 -1,-0.1 0.585 94.2 114.4-143.4 -18.5 -9.8 22.4 54.7 226 224 C I S < S- 0 0 6 -4,-2.6 5,-0.1 1,-0.1 -37,-0.0 -0.243 73.3 -93.3 -68.2 151.7 -9.8 21.3 58.3 227 225 C P > - 0 0 55 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.341 32.3-119.5 -62.4 146.4 -13.1 19.9 59.9 228 226 C Y T >> S+ 0 0 71 37,-0.3 4,-2.3 1,-0.3 3,-1.9 0.789 105.0 74.5 -60.3 -29.6 -15.2 22.5 61.7 229 227 C R H 3> S+ 0 0 99 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.800 87.3 60.5 -56.3 -32.6 -14.9 20.6 65.1 230 228 C Y H <4 S+ 0 0 11 -3,-1.5 -1,-0.3 1,-0.2 6,-0.3 0.780 114.2 37.6 -65.1 -25.3 -11.2 21.8 65.5 231 229 C I H <4 S+ 0 0 1 -3,-1.9 6,-0.6 -4,-0.4 -2,-0.2 0.814 125.2 35.1 -92.7 -35.7 -12.6 25.4 65.4 232 230 C Y H < S+ 0 0 5 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.655 114.9 51.1 -97.8 -17.6 -15.9 25.0 67.4 233 231 C E S < S+ 0 0 136 -4,-2.3 2,-0.2 -5,-0.3 -1,-0.2 0.288 105.1 59.9-106.6 11.0 -15.0 22.3 70.0 234 232 C T S S- 0 0 49 -3,-0.2 3,-0.5 -5,-0.1 -4,-0.0 -0.699 94.6-104.7-121.9 179.0 -11.8 24.0 71.3 235 233 C N S >> S+ 0 0 66 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3> S+ 0 0 105 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.056 98.7 120.1-108.2 22.5 -1.3 49.6 58.0 310 308 C D H <> S+ 0 0 56 -3,-2.6 4,-2.9 1,-0.2 5,-0.2 0.857 72.2 51.9 -58.5 -40.9 -4.7 51.3 58.3 311 309 C Q H > S+ 0 0 19 -4,-0.3 4,-2.6 -3,-0.2 -1,-0.2 0.958 112.5 44.8 -65.2 -47.3 -5.7 50.9 54.7 312 310 C S H > S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.883 113.6 52.0 -63.5 -36.9 -5.1 47.2 54.7 313 311 C F H X S+ 0 0 27 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.953 110.6 46.2 -63.0 -50.9 -6.8 46.9 58.1 314 312 C L H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.907 112.2 52.5 -59.4 -41.2 -9.9 48.7 56.9 315 313 C Q H X S+ 0 0 36 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.950 111.8 45.5 -55.5 -50.5 -9.9 46.6 53.7 316 314 C D H X S+ 0 0 11 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.853 110.2 54.3 -65.8 -33.4 -9.7 43.4 55.9 317 315 C L H X S+ 0 0 1 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.948 108.0 49.6 -63.4 -48.0 -12.5 44.8 58.2 318 316 C A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.948 111.9 49.0 -53.8 -47.8 -14.8 45.3 55.2 319 317 C M H X 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519 C M S S- 0 0 10 -4,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.537 90.6 -95.2 -98.3 164.4 -41.9 55.0 41.0 485 520 C S > - 0 0 60 -2,-0.2 4,-3.7 1,-0.1 5,-0.2 -0.419 38.9-111.3 -66.9 153.3 -45.5 55.0 40.1 486 521 C E H > S+ 0 0 96 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.886 119.8 47.7 -55.2 -40.7 -46.4 56.7 36.8 487 522 C D H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 114.0 43.9 -70.2 -46.0 -48.2 59.4 38.9 488 523 C T H > S+ 0 0 26 2,-0.2 4,-3.6 1,-0.2 -2,-0.2 0.947 115.0 51.0 -60.8 -47.8 -45.4 59.9 41.4 489 524 C E H X S+ 0 0 3 -4,-3.7 4,-4.1 2,-0.2 5,-0.4 0.935 106.0 56.4 -51.1 -50.9 -42.9 59.9 38.4 490 525 C K H X S+ 0 0 92 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.936 115.1 36.2 -43.7 -59.1 -45.1 62.5 36.7 491 526 C R H X S+ 0 0 141 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.887 118.7 51.9 -67.8 -41.2 -44.8 64.9 39.6 492 527 C F H X S+ 0 0 0 -4,-3.6 4,-3.1 2,-0.2 5,-0.2 0.964 112.2 43.1 -58.2 -55.0 -41.2 63.9 40.3 493 528 C V H X S+ 0 0 6 -4,-4.1 4,-3.3 1,-0.2 5,-0.3 0.916 113.4 53.6 -64.4 -42.1 -40.0 64.4 36.8 494 529 C V H X S+ 0 0 54 -4,-2.3 4,-2.9 -5,-0.4 -1,-0.2 0.957 111.9 44.3 -52.3 -54.8 -41.9 67.7 36.5 495 530 C T H X S+ 0 0 53 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.945 115.6 47.4 -58.8 -50.1 -40.3 69.0 39.7 496 531 C V H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.903 113.4 47.0 -59.9 -43.5 -36.9 67.9 38.7 497 532 C I H X S+ 0 0 10 -4,-3.3 4,-2.9 -5,-0.2 5,-0.2 0.927 110.0 53.1 -68.3 -42.5 -37.1 69.3 35.2 498 533 C K H X S+ 0 0 133 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.936 112.7 46.0 -52.0 -48.5 -38.5 72.6 36.4 499 534 C D H X S+ 0 0 31 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.909 113.3 47.3 -63.4 -45.7 -35.5 72.8 38.8 500 535 C L H X S+ 0 0 1 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.859 111.8 51.1 -66.6 -35.4 -32.9 71.9 36.1 501 536 C L H X S+ 0 0 95 -4,-2.9 4,-1.5 2,-0.2 3,-0.3 0.921 110.5 49.3 -65.1 -43.7 -34.5 74.4 33.7 502 537 C D H X S+ 0 0 78 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.913 108.3 54.6 -57.3 -43.4 -34.2 77.1 36.4 503 538 C L H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.818 104.0 55.0 -60.4 -33.5 -30.6 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109.0 44.9 -67.4 -50.3 -19.4 67.4 23.7 556 591 C V H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.908 112.8 53.7 -57.6 -44.1 -23.0 68.7 24.0 557 592 C Q H X S+ 0 0 9 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.919 109.2 46.5 -56.9 -49.8 -23.5 68.3 20.3 558 593 C D H X S+ 0 0 30 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.851 112.4 50.3 -65.4 -36.6 -22.5 64.6 20.3 559 594 C M H X S+ 0 0 1 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.860 103.5 59.9 -71.1 -35.8 -24.6 63.9 23.3 560 595 C A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.932 107.9 46.2 -55.4 -44.4 -27.6 65.6 21.7 561 596 C C H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.900 114.0 47.0 -65.0 -42.3 -27.3 63.0 18.9 562 597 C D H X S+ 0 0 60 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.886 113.5 48.2 -68.2 -39.5 -26.9 60.1 21.3 563 598 C T H X S+ 0 0 8 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.881 107.8 56.7 -67.2 -38.7 -29.9 61.2 23.4 564 599 C F H X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.956 112.4 39.8 -57.6 -50.9 -31.9 61.7 20.2 565 600 C I H X S+ 0 0 17 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.884 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53.4 7.8 675 710 C C H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.877 102.0 61.8 -64.4 -34.6 -30.0 49.7 6.8 676 711 C T H < S+ 0 0 53 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.880 114.6 31.6 -59.2 -41.5 -28.8 48.9 10.3 677 712 C S H < S+ 0 0 32 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.750 125.1 43.3 -88.7 -27.7 -32.0 50.1 11.9 678 713 C M H >< S+ 0 0 7 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.735 77.6 167.4 -93.3 -22.5 -34.4 49.2 9.0 679 714 C G G >< S+ 0 0 6 -4,-2.9 3,-2.1 1,-0.3 4,-0.2 -0.202 72.5 13.3 49.9-118.1 -33.0 45.7 8.2 680 715 C A G > S+ 0 0 25 61,-0.4 3,-1.2 1,-0.3 -1,-0.3 0.813 125.2 63.0 -59.1 -31.5 -35.4 43.8 6.0 681 716 C D G < S+ 0 0 23 -3,-2.2 -1,-0.3 1,-0.2 4,-0.2 0.617 86.7 74.4 -69.3 -14.0 -37.3 47.0 5.3 682 717 C F G X> + 0 0 0 -3,-2.1 4,-1.8 -7,-0.2 3,-1.3 0.627 66.2 101.5 -73.0 -12.4 -34.3 48.6 3.6 683 718 C Y H <> S+ 0 0 58 -3,-1.2 4,-3.0 1,-0.3 5,-0.2 0.820 73.8 53.0 -48.7 -52.8 -34.6 46.6 0.4 684 719 C P H 3> S+ 0 0 56 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.844 111.5 48.3 -56.2 -34.0 -36.2 49.1 -1.9 685 720 C Q H X> S+ 0 0 7 -3,-1.3 4,-1.3 -4,-0.2 3,-0.6 0.910 109.8 51.4 -71.2 -41.5 -33.4 51.6 -1.1 686 721 C L H 3X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 3,-0.4 0.926 108.2 54.6 -58.1 -41.8 -30.8 48.9 -1.7 687 722 C G H 3< S+ 0 0 52 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.753 101.3 58.4 -60.9 -28.3 -32.5 48.3 -5.0 688 723 C H H << S+ 0 0 87 -4,-0.9 -1,-0.2 -3,-0.6 4,-0.2 0.894 122.5 21.5 -71.6 -36.4 -32.2 51.9 -6.1 689 724 C I H X S+ 0 0 1 -4,-1.3 4,-2.9 -3,-0.4 5,-0.2 0.536 95.3 101.7-106.6 -6.6 -28.5 52.0 -5.8 690 725 C Y H X S+ 0 0 6 -4,-1.7 4,-2.1 1,-0.2 5,-0.2 0.852 84.3 37.0 -59.6 -53.7 -27.4 48.3 -6.1 691 726 C Y H > S+ 0 0 146 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.922 120.8 46.3 -69.8 -43.9 -26.2 47.9 -9.7 692 727 C N H > S+ 0 0 75 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.892 111.1 55.0 -62.9 -36.1 -24.6 51.3 -9.9 693 728 C M H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.910 108.9 46.6 -60.5 -42.8 -23.0 50.6 -6.5 694 729 C L H X S+ 0 0 9 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.853 111.4 51.9 -71.4 -33.4 -21.5 47.3 -7.8 695 730 C Q H X S+ 0 0 120 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.888 108.8 50.9 -64.9 -39.9 -20.3 49.1 -10.9 696 731 C L H X S+ 0 0 13 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.891 104.7 56.9 -63.3 -40.3 -18.7 51.7 -8.6 697 732 C Y H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.903 110.0 46.0 -55.5 -42.2 -17.0 48.9 -6.6 698 733 C R H X S+ 0 0 99 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.895 112.6 48.6 -67.6 -42.9 -15.5 47.8 -9.9 699 734 C A H X S+ 0 0 36 -4,-2.2 4,-2.1 2,-0.2 3,-0.3 0.976 113.3 46.3 -64.1 -52.2 -14.4 51.3 -11.0 700 735 C V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.892 109.9 56.0 -55.5 -42.4 -12.8 52.0 -7.5 701 736 C S H X S+ 0 0 4 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.908 105.9 50.1 -56.9 -44.4 -11.1 48.6 -7.7 702 737 C S H X S+ 0 0 82 -4,-2.0 4,-3.0 -3,-0.3 -1,-0.2 0.904 110.2 51.3 -60.8 -43.1 -9.5 49.4 -11.0 703 738 C M H X S+ 0 0 36 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.939 108.2 50.4 -59.5 -48.3 -8.2 52.7 -9.5 704 739 C I H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.941 114.3 44.7 -56.0 -48.8 -6.7 51.0 -6.5 705 740 C S H X S+ 0 0 44 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.929 111.2 53.3 -61.3 -46.2 -4.9 48.5 -8.8 706 741 C A H X S+ 0 0 57 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.919 111.1 47.3 -52.9 -46.2 -3.8 51.3 -11.2 707 742 C Q H X S+ 0 0 57 -4,-2.7 4,-2.7 2,-0.2 5,-0.4 0.897 111.0 48.9 -66.8 -43.0 -2.3 53.2 -8.3 708 743 C V H X S+ 0 0 22 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.896 112.7 49.7 -64.7 -38.8 -0.4 50.2 -6.8 709 744 C A H < S+ 0 0 89 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.889 118.5 38.9 -63.2 -40.5 1.0 49.4 -10.3 710 745 C A H < S+ 0 0 82 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.748 132.5 21.5 -84.6 -27.4 2.1 53.0 -10.7 711 746 C E H < S- 0 0 99 -4,-2.7 3,-0.2 1,-0.3 -3,-0.2 0.596 103.5-117.8-118.7 -18.4 3.4 53.8 -7.2 712 747 C G >< - 0 0 30 -4,-2.1 3,-1.6 -5,-0.4 -1,-0.3 -0.420 51.4 -50.7 102.0 177.9 4.1 50.5 -5.5 713 748 C L G > S+ 0 0 87 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.817 127.0 74.5 -57.1 -32.5 2.6 48.8 -2.4 714 749 C I G >> S+ 0 0 61 1,-0.3 3,-2.6 -3,-0.2 4,-0.7 0.792 77.8 76.8 -53.0 -30.8 3.2 52.0 -0.6 715 750 C A G X4 S+ 0 0 0 -3,-1.6 3,-0.8 1,-0.3 6,-0.5 0.805 82.2 66.5 -47.6 -35.1 0.2 53.4 -2.5 716 751 C T G <4 S+ 0 0 12 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.680 98.3 53.4 -64.3 -17.7 -2.0 51.4 -0.1 717 752 C K G <4 S+ 0 0 98 -3,-2.6 -1,-0.2 -4,-0.3 -2,-0.2 0.723 88.0 103.4 -87.5 -21.6 -0.8 53.7 2.7 718 753 C T S S+ 0 0 41 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.869 112.4 56.5 -51.0 -40.4 -4.9 58.9 1.8 720 755 C K H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.977 111.8 37.5 -58.8 -60.4 -6.1 58.5 -1.8 721 756 C V H > S+ 0 0 0 -6,-0.5 4,-2.8 1,-0.2 5,-0.2 0.872 114.6 55.6 -64.7 -35.2 -6.0 54.7 -1.9 722 757 C R H X S+ 0 0 55 -4,-2.6 4,-2.0 -7,-0.2 -1,-0.2 0.872 107.8 50.8 -63.1 -35.5 -7.2 54.4 1.7 723 758 C G H X S+ 0 0 18 -4,-2.0 4,-1.4 -3,-0.3 -1,-0.2 0.835 110.3 48.3 -67.9 -35.8 -10.2 56.5 0.7 724 759 C L H X S+ 0 0 4 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.920 111.6 49.3 -71.3 -42.4 -10.9 54.3 -2.3 725 760 C R H X S+ 0 0 39 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.885 104.1 59.9 -63.9 -37.2 -10.6 51.2 -0.1 726 761 C T H X S+ 0 0 39 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.930 103.8 52.2 -54.6 -44.5 -13.0 52.8 2.4 727 762 C I H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.932 111.0 45.8 -56.7 -48.7 -15.6 52.9 -0.4 728 763 C K H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.901 113.4 50.6 -62.2 -41.7 -15.2 49.2 -1.2 729 764 C K H X S+ 0 0 63 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.907 110.4 47.6 -63.0 -43.5 -15.3 48.4 2.5 730 765 C E H X S+ 0 0 22 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.877 110.1 53.1 -69.2 -35.7 -18.5 50.3 3.1 731 766 C I H X S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.2 5,-0.2 0.946 111.5 46.2 -60.8 -48.2 -20.2 48.7 0.1 732 767 C L H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.903 111.5 52.1 -61.1 -40.2 -19.3 45.3 1.5 733 768 C K H X S+ 0 0 107 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.902 108.2 51.5 -63.6 -40.5 -20.6 46.3 4.9 734 769 C L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.877 112.1 44.9 -63.8 -41.6 -23.9 47.5 3.5 735 770 C V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.903 115.2 48.6 -72.0 -41.0 -24.5 44.3 1.6 736 771 C E H X S+ 0 0 38 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.951 111.1 50.6 -58.7 -50.7 -23.5 42.3 4.7 737 772 C T H X S+ 0 0 10 -4,-3.3 4,-0.8 1,-0.2 -2,-0.2 0.919 114.5 43.9 -57.1 -46.2 -25.8 44.4 6.9 738 773 C Y H >X S+ 0 0 5 -4,-2.3 3,-1.2 1,-0.2 4,-1.0 0.956 114.4 46.3 -65.8 -52.1 -28.8 43.8 4.5 739 774 C I H >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.881 106.9 60.1 -60.9 -36.7 -28.3 40.1 3.9 740 775 C S H 3< S+ 0 0 34 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.741 118.2 29.4 -62.6 -25.6 -27.8 39.4 7.6 741 776 C K H << S+ 0 0 90 -3,-1.2 -61,-0.4 -4,-0.8 -1,-0.2 0.379 91.1 128.1-112.5 -0.9 -31.3 40.8 8.4 742 777 C A << - 0 0 13 -4,-1.0 3,-0.1 -3,-0.6 -62,-0.1 -0.286 34.7-174.9 -64.6 141.5 -33.0 39.9 5.1 743 778 C R S S+ 0 0 215 1,-0.2 2,-1.2 -63,-0.1 3,-0.2 0.677 74.2 68.4-105.2 -28.6 -36.3 38.0 5.4 744 779 C N > + 0 0 72 1,-0.2 4,-1.5 -64,-0.1 3,-0.3 -0.720 57.1 169.5 -92.9 88.8 -36.8 37.5 1.6 745 780 C L H > S+ 0 0 49 -2,-1.2 4,-2.6 1,-0.2 5,-0.2 0.788 70.3 66.8 -72.2 -26.4 -34.0 35.1 0.9 746 781 C D H > S+ 0 0 110 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.917 103.4 45.0 -60.4 -43.7 -35.4 34.3 -2.6 747 782 C D H >>S+ 0 0 51 -3,-0.3 4,-2.9 2,-0.2 5,-1.4 0.901 109.9 55.5 -67.3 -41.0 -34.6 37.9 -3.7 748 783 C V H X>S+ 0 0 0 -4,-1.5 5,-2.7 3,-0.2 4,-0.5 0.955 116.3 37.5 -52.7 -49.1 -31.2 37.8 -2.1 749 784 C V H <>S+ 0 0 38 -4,-2.6 5,-0.6 3,-0.2 -2,-0.2 0.935 124.4 38.3 -71.0 -46.7 -30.4 34.6 -4.1 750 785 C K H <5S+ 0 0 169 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.756 134.3 17.7 -78.8 -27.5 -32.1 35.6 -7.4 751 786 C V H <5S+ 0 0 38 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.809 128.3 33.0-112.4 -48.0 -31.2 39.4 -7.4 752 787 C L T X S+ 0 0 36 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.866 113.4 53.4 -65.4 -31.3 -23.9 40.2 -9.2 756 791 C L H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.953 110.4 45.2 -62.9 -51.5 -22.2 40.4 -5.8 757 792 C L H X S+ 0 0 10 -4,-2.8 4,-2.4 1,-0.2 5,-0.4 0.918 113.3 51.3 -59.3 -46.7 -20.0 37.4 -6.5 758 793 C N H < S+ 0 0 87 -4,-2.3 4,-0.4 -5,-0.2 5,-0.3 0.902 114.1 44.2 -52.5 -48.2 -19.2 38.7 -9.9 759 794 C A H < S+ 0 0 4 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.826 125.6 26.8 -69.6 -33.6 -18.2 42.1 -8.6 760 795 C V H X S+ 0 0 1 -4,-2.2 4,-1.6 -5,-0.1 -2,-0.2 0.789 106.8 61.5-107.2 -29.8 -16.1 41.0 -5.6 761 796 C L H X S+ 0 0 6 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.936 106.0 39.2 -74.8 -53.6 -14.5 37.5 -6.0 762 797 C E H > S+ 0 0 122 -5,-0.4 4,-2.7 -4,-0.4 -1,-0.2 0.859 114.4 57.8 -66.2 -36.2 -12.2 37.7 -9.0 763 798 C D H > S+ 0 0 33 -5,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.901 110.5 42.6 -58.7 -43.0 -11.2 41.2 -7.8 764 799 C Y H >< S+ 0 0 2 -4,-1.6 3,-1.0 2,-0.2 -2,-0.2 0.973 115.8 48.8 -65.4 -53.6 -10.0 39.7 -4.5 765 800 C M H 3< S+ 0 0 70 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.849 115.7 43.4 -54.5 -39.9 -8.4 36.7 -6.1 766 801 C N H 3< S+ 0 0 106 -4,-2.7 -1,-0.2 -5,-0.2 2,-0.2 0.442 93.3 90.3 -98.5 -0.1 -6.4 38.8 -8.6 767 802 C N S << S- 0 0 14 -3,-1.0 5,-0.1 -4,-0.8 -62,-0.0 -0.604 88.1 -98.5 -82.4 153.5 -5.2 41.7 -6.5 768 803 C V >> - 0 0 67 -2,-0.2 3,-2.2 1,-0.1 4,-0.6 -0.365 42.9-101.1 -63.9 153.0 -1.8 41.5 -4.7 769 804 C P G >4 S+ 0 0 52 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.880 120.6 55.6 -43.9 -52.0 -2.1 40.4 -1.0 770 805 C D G 34 S+ 0 0 50 1,-0.3 -2,-0.0 3,-0.0 47,-0.0 0.606 108.1 49.9 -61.9 -13.6 -1.6 43.9 0.4 771 806 C A G <4 S+ 0 0 1 -3,-2.2 2,-0.3 -7,-0.1 -1,-0.3 0.457 84.5 107.7-103.9 -3.8 -4.6 45.1 -1.7 772 807 C R << - 0 0 24 -3,-1.8 2,-0.7 -4,-0.6 48,-0.1 -0.603 65.8-135.2 -79.1 130.2 -7.1 42.4 -0.7 773 808 C D >> - 0 0 4 -2,-0.3 3,-2.2 1,-0.2 4,-0.6 -0.765 4.0-154.1 -90.9 117.4 -9.9 43.5 1.7 774 809 C A H >> S+ 0 0 6 -2,-0.7 4,-1.5 1,-0.3 3,-0.5 0.762 92.0 75.3 -58.3 -25.3 -10.5 41.1 4.6 775 810 C E H 3> S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.761 83.7 65.1 -56.8 -28.4 -14.1 42.5 4.6 776 811 C V H <> S+ 0 0 1 -3,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.955 102.2 47.7 -58.8 -47.3 -14.7 40.5 1.4 777 812 C L H S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.6 0.960 113.9 41.2 -59.7 -49.7 -23.8 35.2 2.5 784 819 C V H X5S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 5,-0.4 0.912 113.7 54.4 -65.4 -41.4 -23.0 31.5 3.2 785 820 C E H <5S+ 0 0 73 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.896 119.2 31.5 -56.7 -42.7 -24.6 31.7 6.6 786 821 C K H <5S+ 0 0 81 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.828 141.4 6.2 -93.8 -37.7 -27.9 33.0 5.3 787 822 C V H >X5S+ 0 0 0 -4,-2.7 3,-2.1 -5,-0.3 4,-1.0 0.324 87.2 114.4-129.2 7.4 -28.4 31.5 1.8 788 823 C G G >< S+ 0 0 68 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.863 81.6 46.6 -55.4 -39.5 -24.2 25.4 -3.7 793 828 C Q H > S+ 0 0 143 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.869 110.2 54.1 -70.4 -37.3 -22.5 26.5 -6.9 794 829 C G H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.860 106.7 51.6 -61.2 -37.0 -22.0 30.0 -5.5 795 830 C V H X S+ 0 0 0 -4,-2.3 4,-2.5 -7,-0.2 -2,-0.2 0.938 107.7 51.8 -67.5 -44.4 -20.3 28.5 -2.4 796 831 C I H X S+ 0 0 27 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.942 110.2 50.1 -53.0 -48.3 -17.9 26.5 -4.6 797 832 C L H X S+ 0 0 75 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.885 108.0 52.6 -59.3 -41.8 -17.1 29.7 -6.5 798 833 C I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 5,-0.3 0.947 110.9 47.2 -60.2 -49.1 -16.4 31.5 -3.2 799 834 C L H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 5,-0.4 0.934 111.1 50.6 -56.0 -50.8 -14.0 28.8 -2.0 800 835 C Q H < S+ 0 0 127 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.876 113.2 46.6 -58.2 -39.4 -12.1 28.7 -5.4 801 836 C S H < S+ 0 0 11 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.830 129.3 16.6 -75.7 -31.9 -11.7 32.5 -5.4 802 837 C V H X S+ 0 0 2 -4,-1.9 4,-2.1 -3,-0.2 5,-0.3 0.676 104.0 78.6-116.0 -22.2 -10.5 33.0 -1.8 803 838 C F H X S+ 0 0 4 -4,-3.0 4,-2.6 -5,-0.3 5,-0.2 0.968 100.7 30.2 -65.9 -64.8 -9.3 29.7 -0.2 804 839 C E H > S+ 0 0 110 -5,-0.4 4,-2.2 -4,-0.2 -1,-0.2 0.860 121.4 50.8 -65.6 -35.7 -5.8 29.0 -1.6 805 840 C C H > S+ 0 0 27 -5,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.912 114.5 43.1 -75.3 -35.9 -4.8 32.6 -2.0 806 841 C T H >X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 3,-0.7 0.935 111.4 54.9 -70.5 -43.5 -5.8 33.6 1.5 807 842 C L H 3X S+ 0 0 9 -4,-2.6 4,-0.9 -5,-0.3 3,-0.5 0.923 106.6 51.5 -52.6 -46.6 -4.2 30.4 3.0 808 843 C D H 3< S+ 0 0 93 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.779 107.3 54.4 -65.1 -25.7 -0.9 31.4 1.3 809 844 C M H << S+ 0 0 9 -4,-0.9 3,-0.3 -3,-0.7 -1,-0.2 0.839 117.7 33.6 -69.0 -36.4 -1.1 34.9 2.9 810 845 C I H < S+ 0 0 0 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.345 100.6 76.0-107.6 3.9 -1.5 33.5 6.5 811 846 C N S < S+ 0 0 58 -4,-0.9 -1,-0.2 -5,-0.2 3,-0.1 0.168 77.8 71.1-108.3 17.2 0.6 30.3 6.5 812 847 C K S S- 0 0 125 1,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.740 116.6 -15.2 -98.9 -31.4 4.1 31.7 6.7 813 848 C D - 0 0 55 3,-0.1 -1,-0.3 -3,-0.1 0, 0.0 -0.871 66.9-105.2-154.1-173.3 3.7 32.9 10.3 814 849 C F S S+ 0 0 82 -2,-0.3 48,-0.1 -3,-0.1 47,-0.1 0.530 106.8 49.8 -98.0 -6.4 1.1 33.6 12.9 815 850 C T S S+ 0 0 108 6,-0.0 -1,-0.1 2,-0.0 6,-0.1 0.773 77.0 96.6-109.1 -33.6 1.1 37.4 12.7 816 851 C E S S+ 0 0 89 1,-0.2 5,-0.2 2,-0.1 -3,-0.1 -0.311 95.1 7.3 -68.2 144.7 0.8 38.7 9.1 817 852 C Y S > S+ 0 0 39 3,-0.1 4,-2.4 1,-0.1 -1,-0.2 0.916 72.3 180.0 53.9 58.5 -2.7 39.7 7.9 818 853 C P H > S+ 0 0 60 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.854 76.0 50.1 -59.9 -40.3 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16.2 859 894 C K T << S+ 0 0 44 -4,-0.9 -1,-0.3 -3,-0.7 2,-0.2 0.416 84.8 106.5 -89.2 0.6 -1.4 26.1 16.6 860 895 C H < - 0 0 1 -3,-1.6 -3,-0.0 -4,-0.2 9,-0.0 -0.537 55.7-157.4 -76.2 147.7 -2.5 29.7 16.9 861 896 C N S S+ 0 0 100 -2,-0.2 -1,-0.1 -47,-0.1 2,-0.1 0.763 70.4 100.3 -88.1 -34.1 -2.4 31.4 20.2 862 897 C N S > S- 0 0 65 1,-0.2 4,-2.6 -48,-0.1 5,-0.2 -0.352 70.5-147.1 -49.7 123.0 -4.9 34.0 19.0 863 898 C R H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.814 91.8 61.2 -71.6 -34.7 -8.2 32.8 20.4 864 899 C D H > S+ 0 0 73 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.971 116.4 32.1 -55.1 -54.3 -10.4 33.9 17.5 865 900 C V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.969 117.7 54.6 -66.7 -56.4 -8.5 31.6 15.1 866 901 C E H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.877 108.3 47.8 -47.9 -51.0 -7.7 28.8 17.6 867 902 C V H X S+ 0 0 37 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.917 112.8 47.1 -63.3 -46.1 -11.3 28.2 18.7 868 903 C N H X S+ 0 0 25 -4,-1.3 4,-3.0 -5,-0.3 -1,-0.2 0.863 108.4 57.4 -61.9 -38.4 -12.7 28.1 15.2 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12.3 879 914 C N H X S+ 0 0 23 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.911 112.0 44.9 -61.7 -44.8 -19.6 15.6 8.6 880 915 C I H >X S+ 0 0 0 -4,-2.7 3,-1.0 2,-0.2 4,-0.7 0.949 112.0 51.8 -62.8 -49.7 -17.5 12.6 7.6 881 916 C E H >< S+ 0 0 53 -4,-2.9 3,-1.3 1,-0.3 -2,-0.2 0.882 104.3 57.9 -55.3 -39.8 -19.3 10.4 10.1 882 917 C R H 3< S+ 0 0 195 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.812 96.5 63.5 -62.1 -31.3 -22.7 11.5 8.7 883 918 C M H << S- 0 0 52 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.743 93.9-160.0 -65.3 -24.7 -21.7 10.2 5.3 884 919 C G << - 0 0 36 -3,-1.3 2,-2.1 -4,-0.7 5,-0.2 -0.266 50.2 -12.3 74.6-162.2 -21.5 6.7 6.6 885 920 C N S S+ 0 0 111 4,-0.1 -1,-0.1 3,-0.1 -4,-0.0 -0.489 92.4 126.2 -78.5 78.1 -19.6 3.8 5.0 886 921 C V S > S- 0 0 54 -2,-2.1 4,-2.1 1,-0.0 3,-0.4 -0.890 72.7-101.8-127.8 162.6 -18.8 5.3 1.6 887 922 C P H > S+ 0 0 98 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.788 117.6 54.4 -59.2 -34.2 -15.4 5.7 -0.2 888 923 C F H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.930 111.4 45.9 -64.8 -44.0 -14.9 9.4 0.6 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