==== 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 HYDROLASE 14-FEB-08 3C90 . COMPND 2 MOLECULE: PHOSPHORIBOSYL-ATP PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR F.JAVID-MAJD,D.YANG,T.R.IOERGER,J.C.SACCHETTINI,TB STRUCTURA . 348 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 77.0 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 4 0 2 1 0 0 0 0 0 4 0 0 0 0 0 0 5 2 0 0 0 0 0 0 0 1 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 7 X V 0 0 80 0, 0.0 174,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 122.8 28.9 8.8 28.4 2 8 X K + 0 0 144 1,-0.2 2,-0.3 171,-0.0 3,-0.1 0.449 360.0 18.3-100.4 -4.1 26.8 5.8 27.6 3 9 X T > - 0 0 23 169,-0.1 4,-1.7 1,-0.1 -1,-0.2 -1.000 64.1-119.9-157.6 159.4 29.8 4.0 25.9 4 10 X F H > S+ 0 0 0 -2,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.865 123.6 55.0 -51.5 -42.8 33.4 3.5 25.2 5 11 X E H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.854 102.0 54.5 -65.6 -39.5 32.1 4.3 21.7 6 12 X D H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 110.4 46.6 -55.8 -49.0 30.5 7.6 22.8 7 13 X L H X S+ 0 0 10 -4,-1.7 4,-3.2 2,-0.2 5,-0.2 0.936 109.6 53.3 -62.9 -44.8 33.8 8.8 24.2 8 14 X F H X S+ 0 0 30 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.913 109.9 48.5 -59.5 -40.4 35.7 7.6 21.1 9 15 X A H X S+ 0 0 55 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.919 112.1 49.6 -63.0 -44.6 33.3 9.7 18.9 10 16 X E H X S+ 0 0 85 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.928 112.0 47.1 -57.6 -49.9 33.8 12.7 21.2 11 17 X L H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.886 110.5 52.7 -63.3 -39.1 37.6 12.4 21.1 12 18 X G H X S+ 0 0 18 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.878 107.3 53.3 -61.3 -40.4 37.5 12.0 17.2 13 19 X D H X S+ 0 0 66 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.891 108.8 48.7 -60.5 -42.4 35.4 15.2 17.1 14 20 X R H X S+ 0 0 65 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.910 111.4 49.6 -62.0 -43.9 38.1 17.0 19.1 15 21 X A H < S+ 0 0 17 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.857 115.7 44.7 -62.6 -35.6 40.8 15.6 16.8 16 22 X R H < S+ 0 0 172 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.898 125.5 27.8 -76.4 -44.9 38.7 16.8 13.8 17 23 X T H < S- 0 0 99 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.616 88.4-146.5 -96.5 -16.9 37.8 20.4 15.0 18 24 X R < - 0 0 113 -4,-2.4 -3,-0.1 -5,-0.3 -4,-0.1 0.924 14.1-151.0 50.2 60.9 40.7 21.1 17.4 19 25 X P > - 0 0 46 0, 0.0 3,-1.2 0, 0.0 6,-0.2 -0.389 10.6-135.7 -61.2 135.6 38.9 23.2 20.0 20 26 X A T 3 S+ 0 0 111 1,-0.2 6,-0.1 5,-0.1 -2,-0.0 0.840 100.3 58.6 -62.8 -33.2 41.4 25.6 21.6 21 27 X D T 3 S+ 0 0 161 4,-0.0 2,-0.4 2,-0.0 -1,-0.2 0.526 84.4 106.3 -75.8 -6.8 40.1 24.9 25.1 22 28 X S <> - 0 0 23 -3,-1.2 4,-1.0 1,-0.1 3,-0.3 -0.634 52.4-163.4 -89.5 125.2 40.8 21.1 25.0 23 29 X T H > S+ 0 0 115 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.774 95.8 66.8 -66.7 -24.7 43.7 19.3 26.8 24 30 X T H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.943 96.7 53.0 -57.9 -45.3 43.0 16.4 24.4 25 31 X V H > S+ 0 0 17 -3,-0.3 4,-1.8 -6,-0.2 -1,-0.2 0.873 108.3 49.2 -60.4 -39.8 44.2 18.6 21.5 26 32 X A H X S+ 0 0 67 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.911 110.3 51.2 -65.4 -43.3 47.5 19.4 23.3 27 33 X A H X S+ 0 0 19 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.921 109.7 49.9 -59.4 -46.7 48.0 15.7 24.0 28 34 X L H >< S+ 0 0 17 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.888 110.8 50.5 -57.6 -39.6 47.4 14.8 20.3 29 35 X D H 3< S+ 0 0 62 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.835 98.4 64.4 -72.3 -33.4 49.9 17.4 19.2 30 36 X G H 3< S- 0 0 36 -4,-1.8 4,-0.3 1,-0.2 200,-0.3 0.674 104.5-132.9 -67.5 -19.6 52.7 16.3 21.5 31 37 X G S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.744 119.6 61.9 -70.5 -33.1 53.1 9.4 20.3 33 39 X H H > S+ 0 0 103 1,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.939 108.6 43.3 -61.0 -47.1 56.1 9.2 22.7 34 40 X A H > S+ 0 0 50 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.837 113.2 54.1 -65.6 -34.6 54.4 11.4 25.4 35 41 X L H X S+ 0 0 3 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.915 108.2 47.2 -67.0 -45.5 51.1 9.5 24.9 36 42 X G H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.902 111.0 53.2 -61.5 -41.0 52.7 6.1 25.5 37 43 X K H X S+ 0 0 114 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.927 111.0 45.9 -60.0 -45.6 54.4 7.5 28.5 38 44 X K H X S+ 0 0 67 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.894 112.3 51.2 -62.9 -43.7 51.1 8.7 29.9 39 45 X L H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.914 112.1 45.8 -60.7 -45.0 49.4 5.4 29.1 40 46 X L H X S+ 0 0 54 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.932 112.1 51.2 -65.3 -46.4 52.1 3.4 30.9 41 47 X E H X S+ 0 0 82 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.906 111.0 48.9 -55.9 -42.2 52.0 5.8 33.9 42 48 X E H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.875 105.7 56.5 -69.8 -35.8 48.2 5.3 34.1 43 49 X A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.901 107.3 50.7 -58.1 -43.5 48.6 1.6 33.9 44 50 X G H X S+ 0 0 25 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.922 109.7 49.2 -57.1 -47.2 50.8 1.9 37.0 45 51 X E H X S+ 0 0 77 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.855 109.1 53.2 -66.2 -33.0 48.2 4.0 38.8 46 52 X V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.923 109.3 48.4 -60.9 -47.1 45.5 1.4 37.8 47 53 X W H X S+ 0 0 53 -4,-2.2 4,-1.7 2,-0.2 5,-0.2 0.926 110.6 51.6 -61.8 -43.2 47.7 -1.3 39.4 48 54 X L H X S+ 0 0 114 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.929 113.0 44.6 -56.6 -47.0 48.2 0.8 42.5 49 55 X A H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 9,-0.2 0.824 108.1 58.3 -69.5 -32.6 44.4 1.3 42.8 50 56 X A H < S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.862 117.2 32.6 -64.9 -35.3 43.7 -2.4 42.2 51 57 X E H < S+ 0 0 60 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.725 136.3 17.8 -91.2 -25.2 45.8 -3.4 45.2 52 58 X H H < S+ 0 0 144 -4,-1.8 2,-0.3 -5,-0.2 -3,-0.2 0.292 104.9 69.1-140.6 8.1 45.3 -0.6 47.5 53 59 X E S < S- 0 0 116 -4,-1.9 2,-0.0 -5,-0.1 0, 0.0 -0.855 75.7 -88.8-133.5 169.4 42.2 1.6 46.8 54 60 X S > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.249 42.7-104.9 -69.8 159.6 38.4 1.6 46.8 55 61 X N H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.853 121.9 55.0 -50.4 -38.8 36.3 0.5 43.8 56 62 X D H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 109.2 44.8 -65.4 -43.0 35.5 4.2 43.1 57 63 X A H > S+ 0 0 26 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.885 114.1 50.7 -66.4 -42.7 39.1 5.2 42.9 58 64 X L H X S+ 0 0 0 -4,-2.5 4,-2.8 -9,-0.2 -2,-0.2 0.927 108.8 50.7 -60.1 -47.8 39.9 2.1 40.8 59 65 X A H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.885 109.8 52.5 -57.5 -40.9 37.0 3.0 38.4 60 66 X E H X S+ 0 0 68 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.952 111.3 44.3 -58.3 -51.9 38.4 6.5 38.2 61 67 X E H X S+ 0 0 38 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.902 112.3 52.6 -64.2 -42.4 41.9 5.3 37.2 62 68 X I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.915 105.1 55.6 -58.5 -44.9 40.5 2.8 34.8 63 69 X S H X S+ 0 0 5 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.878 109.6 47.7 -52.5 -40.6 38.5 5.7 33.1 64 70 X Q H X S+ 0 0 54 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.873 108.4 52.9 -69.1 -42.0 41.8 7.5 32.6 65 71 X L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.909 111.0 47.8 -58.1 -41.8 43.6 4.5 31.2 66 72 X L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.882 109.5 53.5 -69.7 -37.9 40.8 4.1 28.6 67 73 X Y H X S+ 0 0 40 -4,-1.8 4,-2.4 -5,-0.2 5,-0.2 0.968 111.5 44.5 -55.7 -54.9 40.9 7.8 27.8 68 74 X W H X S+ 0 0 36 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.838 110.0 56.5 -63.8 -34.1 44.7 7.6 27.1 69 75 X T H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.933 110.0 44.5 -59.8 -45.9 44.2 4.4 25.1 70 76 X Q H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.886 110.5 53.6 -68.0 -39.1 41.7 6.1 22.8 71 77 X V H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.926 109.7 49.5 -61.1 -43.8 43.8 9.2 22.4 72 78 X L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.910 109.5 51.9 -58.6 -44.5 46.7 6.9 21.3 73 79 X M H X>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 4,-0.7 0.939 112.0 45.7 -56.5 -47.9 44.3 5.2 18.9 74 80 X I H ><5S+ 0 0 33 -4,-2.7 3,-1.1 3,-0.2 -2,-0.2 0.942 109.9 54.5 -65.4 -45.1 43.4 8.6 17.4 75 81 X S H 3<5S+ 0 0 41 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.903 116.2 37.9 -50.7 -48.9 47.0 9.7 17.2 76 82 X R H 3<5S- 0 0 55 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.424 116.3-112.2 -85.7 -1.5 48.0 6.6 15.2 77 83 X G T <<5 + 0 0 54 -3,-1.1 2,-0.4 -4,-0.7 -3,-0.2 0.813 60.3 154.8 73.9 31.4 44.8 6.5 13.1 78 84 X L < - 0 0 6 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.2 -0.761 30.2-147.0 -89.1 138.2 43.3 3.3 14.5 79 85 X S > - 0 0 45 -2,-0.4 4,-1.3 1,-0.1 5,-0.1 -0.467 28.1-108.4 -91.0 167.6 39.5 2.8 14.4 80 86 X L H > S+ 0 0 31 1,-0.2 4,-3.2 2,-0.2 3,-0.5 0.946 122.1 53.8 -57.9 -49.2 37.3 1.0 16.9 81 87 X D H > S+ 0 0 73 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.864 100.7 59.5 -51.7 -43.0 36.8 -1.7 14.3 82 88 X D H 4 S+ 0 0 44 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.913 116.0 34.0 -54.8 -44.5 40.6 -2.1 13.9 83 89 X V H >< S+ 0 0 0 -4,-1.3 3,-2.2 -3,-0.5 4,-0.4 0.965 117.3 52.0 -75.2 -54.8 40.8 -3.0 17.7 84 90 X Y H >< S+ 0 0 6 -4,-3.2 3,-1.5 1,-0.3 -2,-0.2 0.796 99.3 64.2 -54.5 -37.0 37.5 -4.8 18.1 85 91 X R T 3< S+ 0 0 161 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.683 101.2 52.9 -61.9 -17.3 38.3 -7.2 15.1 86 92 X K T < 0 0 67 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.540 360.0 360.0 -94.2 -8.8 41.2 -8.5 17.2 87 93 X L < 0 0 51 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.522 360.0 360.0 -86.5 360.0 38.9 -9.2 20.2 88 !* 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 89 7 A V 0 0 61 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 129.5 33.0 -8.3 19.0 90 8 A K + 0 0 150 1,-0.1 2,-0.3 -5,-0.0 -6,-0.1 0.680 360.0 27.6-104.4 -21.9 31.2 -5.1 18.1 91 9 A T S > S- 0 0 34 1,-0.1 4,-1.7 -7,-0.1 -1,-0.1 -0.931 70.8-120.4-137.3 161.7 31.3 -3.1 21.3 92 10 A F H > S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.881 120.3 55.3 -59.4 -38.4 33.4 -2.7 24.4 93 11 A E H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.815 101.3 54.7 -68.8 -33.2 30.1 -3.8 26.1 94 12 A D H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 109.0 48.9 -63.1 -46.8 29.8 -7.0 24.1 95 13 A L H X S+ 0 0 3 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.938 111.0 50.3 -56.6 -47.6 33.3 -8.1 25.2 96 14 A F H X S+ 0 0 32 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.900 109.2 50.6 -60.4 -42.2 32.5 -7.3 28.8 97 15 A A H X S+ 0 0 66 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.904 112.4 48.2 -61.1 -40.3 29.2 -9.3 28.7 98 16 A E H X S+ 0 0 72 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.923 113.3 45.3 -68.2 -46.6 31.2 -12.2 27.3 99 17 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.892 111.5 52.9 -65.5 -41.1 34.0 -12.1 29.9 100 18 A G H X S+ 0 0 17 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.884 107.4 53.6 -57.8 -39.9 31.4 -11.7 32.7 101 19 A D H X S+ 0 0 70 -4,-1.9 4,-2.8 -5,-0.2 5,-0.3 0.882 107.7 49.0 -63.4 -40.8 29.7 -14.8 31.4 102 20 A R H X S+ 0 0 74 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.908 109.9 52.4 -63.5 -42.9 33.0 -16.7 31.5 103 21 A A H < S+ 0 0 30 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.849 115.5 41.7 -60.3 -37.6 33.5 -15.5 35.1 104 22 A R H < S+ 0 0 168 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.944 123.3 32.6 -76.0 -54.4 30.0 -16.7 36.1 105 23 A T H < S- 0 0 87 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.634 91.1-147.8 -86.3 -16.2 29.8 -20.1 34.3 106 24 A R < - 0 0 127 -4,-2.2 -3,-0.1 -5,-0.3 -4,-0.1 0.910 8.6-150.2 51.1 61.1 33.5 -20.9 34.7 107 25 A P > - 0 0 51 0, 0.0 3,-1.8 0, 0.0 6,-0.2 -0.387 12.2-134.8 -59.7 132.5 34.2 -23.0 31.5 108 26 A A T 3 S+ 0 0 117 1,-0.3 -2,-0.0 -2,-0.1 6,-0.0 0.748 103.8 56.6 -61.0 -23.5 37.0 -25.5 32.2 109 27 A D T 3 S+ 0 0 159 4,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.457 83.7 115.0 -87.1 -2.6 38.6 -24.6 28.9 110 28 A S <> - 0 0 22 -3,-1.8 4,-1.7 1,-0.2 3,-0.2 -0.605 46.3-169.9 -91.5 117.4 38.9 -20.8 29.7 111 29 A T H > S+ 0 0 113 -2,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.808 94.5 63.2 -63.9 -26.9 42.2 -18.9 30.1 112 30 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 101.8 48.5 -59.8 -46.7 40.0 -16.1 31.3 113 31 A V H > S+ 0 0 10 1,-0.2 4,-2.6 -6,-0.2 -2,-0.2 0.920 110.5 50.8 -63.5 -43.2 38.9 -18.2 34.3 114 32 A A H X S+ 0 0 62 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.877 110.1 50.7 -58.1 -41.6 42.5 -19.1 35.1 115 33 A A H < S+ 0 0 17 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.902 110.8 47.1 -66.5 -45.4 43.4 -15.4 35.0 116 34 A L H >< S+ 0 0 29 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.915 112.7 50.9 -57.5 -43.9 40.6 -14.4 37.4 117 35 A D H 3< S+ 0 0 95 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.774 97.5 67.7 -68.1 -26.9 41.6 -17.3 39.6 118 36 A G T 3< S- 0 0 52 -4,-1.5 4,-0.4 1,-0.2 -1,-0.3 0.665 108.1-127.7 -67.1 -19.0 45.3 -16.1 39.6 119 37 A G <> - 0 0 27 -3,-1.3 4,-1.5 -4,-0.5 -1,-0.2 -0.046 21.5 -67.2 94.8 171.7 44.1 -13.1 41.6 120 38 A V H > S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.830 121.8 59.0 -68.6 -37.2 44.3 -9.3 41.4 121 39 A H H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.949 110.1 43.4 -60.3 -48.5 48.1 -8.9 41.9 122 40 A A H > S+ 0 0 39 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.819 111.3 56.1 -65.9 -33.1 48.9 -11.0 38.9 123 41 A L H X S+ 0 0 3 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.915 107.2 48.2 -64.4 -44.5 46.2 -9.2 36.9 124 42 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.874 110.0 54.2 -58.7 -41.1 47.8 -5.8 37.6 125 43 A K H X S+ 0 0 119 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.917 110.6 44.9 -56.1 -49.7 51.1 -7.3 36.6 126 44 A K H X S+ 0 0 100 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.902 111.6 52.3 -65.3 -44.7 49.7 -8.4 33.3 127 45 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.929 111.7 46.9 -58.0 -47.5 48.0 -5.0 32.7 128 46 A L H X S+ 0 0 54 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.948 111.3 49.8 -60.8 -52.3 51.2 -3.1 33.3 129 47 A E H X S+ 0 0 87 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.906 111.0 51.0 -50.6 -44.5 53.3 -5.4 31.0 130 48 A E H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.865 103.8 56.9 -67.5 -37.3 50.7 -5.0 28.3 131 49 A A H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.901 107.4 50.3 -53.7 -43.9 50.8 -1.2 28.6 132 50 A G H X S+ 0 0 23 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.922 109.8 49.5 -60.6 -44.7 54.6 -1.6 27.9 133 51 A E H X S+ 0 0 74 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.882 109.0 52.3 -63.6 -38.9 53.9 -3.7 24.9 134 52 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.944 110.4 48.9 -61.1 -44.4 51.3 -1.1 23.6 135 53 A W H X S+ 0 0 52 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.950 109.6 51.6 -61.2 -47.9 54.0 1.6 24.0 136 54 A L H X S+ 0 0 112 -4,-2.9 4,-1.6 1,-0.2 5,-0.3 0.914 114.4 42.9 -50.8 -50.3 56.6 -0.6 22.1 137 55 A A H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.836 107.8 60.9 -67.8 -34.0 54.1 -1.0 19.2 138 56 A A H < S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.880 115.2 34.1 -59.6 -37.8 53.1 2.7 19.4 139 57 A E H < S+ 0 0 73 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.732 136.9 11.8 -89.2 -24.5 56.6 3.6 18.6 140 58 A H H < S+ 0 0 139 -4,-1.6 2,-0.2 -5,-0.2 -3,-0.2 0.529 103.5 76.5-138.0 -10.2 57.8 0.9 16.3 141 59 A E S < S- 0 0 108 -4,-2.0 2,-0.0 -5,-0.3 0, 0.0 -0.638 74.8 -92.2-116.0 168.9 55.1 -1.4 15.0 142 60 A S > - 0 0 66 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.186 40.3-103.7 -69.9 162.4 52.4 -1.3 12.4 143 61 A N H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.886 124.4 52.5 -50.7 -42.8 48.8 -0.3 13.0 144 62 A D H > S+ 0 0 103 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 110.2 47.1 -60.3 -50.2 47.8 -4.0 12.9 145 63 A A H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.904 114.1 47.4 -58.2 -44.0 50.5 -4.8 15.5 146 64 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 -9,-0.2 5,-0.2 0.895 109.2 53.7 -65.7 -40.3 49.3 -1.8 17.7 147 65 A A H X S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.915 107.5 52.4 -61.4 -43.0 45.7 -2.8 17.3 148 66 A E H X S+ 0 0 65 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.934 112.2 43.7 -54.5 -51.9 46.5 -6.3 18.6 149 67 A E H X S+ 0 0 37 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.913 113.0 51.6 -65.5 -41.7 48.3 -5.0 21.7 150 68 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.911 106.6 54.6 -61.9 -40.6 45.5 -2.5 22.4 151 69 A S H X S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.890 108.9 48.4 -58.7 -38.8 43.0 -5.3 22.1 152 70 A Q H X S+ 0 0 57 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.883 109.1 52.7 -67.1 -41.4 45.0 -7.2 24.8 153 71 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.928 109.7 48.6 -60.3 -45.7 45.2 -4.1 27.1 154 72 A L H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.915 109.8 53.6 -60.5 -43.8 41.4 -3.7 26.9 155 73 A Y H X S+ 0 0 35 -4,-1.9 4,-2.4 1,-0.2 3,-0.2 0.967 110.7 44.1 -51.7 -58.3 41.0 -7.4 27.6 156 74 A W H X S+ 0 0 39 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.832 109.9 57.3 -62.2 -33.0 43.1 -7.2 30.8 157 75 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.929 110.4 43.5 -61.8 -45.3 41.4 -4.0 31.9 158 76 A Q H X S+ 0 0 0 -4,-2.2 4,-2.5 -3,-0.2 -2,-0.2 0.866 111.2 53.1 -69.5 -37.8 38.0 -5.7 31.8 159 77 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.927 110.0 50.2 -61.6 -43.1 39.3 -8.8 33.5 160 78 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.919 108.4 52.2 -57.7 -47.0 40.6 -6.5 36.3 161 79 A M H ><>S+ 0 0 0 -4,-2.1 5,-3.0 1,-0.2 3,-0.6 0.944 111.0 47.5 -53.6 -51.1 37.1 -4.8 36.5 162 80 A I H ><5S+ 0 0 33 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.934 107.0 56.1 -58.0 -46.0 35.5 -8.3 36.9 163 81 A S H 3<5S+ 0 0 40 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 115.0 39.0 -60.4 -29.3 38.0 -9.4 39.6 164 82 A R T <<5S- 0 0 56 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.287 117.2-112.4-101.4 7.3 37.1 -6.3 41.7 165 83 A G T < 5 + 0 0 57 -3,-1.9 2,-0.4 -4,-0.3 -3,-0.2 0.795 59.0 160.3 64.5 31.2 33.4 -6.5 40.9 166 84 A L < - 0 0 7 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.2 -0.703 28.7-144.9 -80.4 134.8 33.3 -3.3 38.8 167 85 A S > - 0 0 46 -2,-0.4 4,-1.2 1,-0.1 5,-0.2 -0.579 25.9-110.8 -87.1 158.4 30.4 -2.8 36.4 168 86 A L H > S+ 0 0 33 1,-0.2 4,-3.5 -2,-0.2 3,-0.5 0.899 121.1 53.5 -49.5 -46.7 30.6 -1.1 33.0 169 87 A D H > S+ 0 0 65 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.877 97.9 63.3 -64.6 -35.3 28.6 1.8 34.4 170 88 A D H 4 S+ 0 0 42 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.896 116.9 30.5 -51.4 -42.9 30.9 2.2 37.3 171 89 A V H >< S+ 0 0 0 -4,-1.2 3,-2.3 -3,-0.5 4,-0.5 0.901 116.1 58.4 -79.3 -47.2 33.6 3.1 34.8 172 90 A Y H >< S+ 0 0 5 -4,-3.5 3,-1.2 1,-0.3 -2,-0.2 0.829 98.1 60.9 -56.8 -36.7 31.3 4.7 32.2 173 91 A R T 3< S+ 0 0 148 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.1 0.659 104.3 51.8 -61.9 -18.6 30.0 7.2 34.8 174 92 A K T < 0 0 55 -3,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.516 360.0 360.0 -96.8 -8.4 33.6 8.5 35.1 175 93 A L < 0 0 51 -3,-1.2 -111,-0.1 -4,-0.5 -112,-0.0 -0.205 360.0 360.0 -84.2 360.0 34.3 9.1 31.3 176 !* 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 0.0 177 7 B V 0 0 118 0, 0.0 2,-0.3 0, 0.0 172,-0.1 0.000 360.0 360.0 360.0 142.2 80.7 12.2 20.1 178 8 B K - 0 0 62 170,-0.4 173,-0.3 173,-0.2 2,-0.1 -0.563 360.0-150.7 -74.4 132.3 80.7 11.7 16.3 179 9 B T > - 0 0 35 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.415 29.9-100.5 -96.6 173.3 80.9 15.0 14.2 180 10 B F H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.926 126.5 46.0 -55.5 -47.0 79.6 16.0 10.7 181 11 B E H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.867 110.2 54.2 -67.5 -39.0 83.1 15.3 9.2 182 12 B D H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.950 109.8 47.1 -54.9 -54.9 83.4 11.9 11.1 183 13 B L H X S+ 0 0 8 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.910 110.4 52.9 -55.4 -43.8 80.1 10.7 9.7 184 14 B F H X S+ 0 0 31 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.890 109.8 47.5 -62.7 -43.2 81.1 11.8 6.1 185 15 B A H X S+ 0 0 54 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.923 113.7 49.5 -57.5 -48.8 84.4 9.9 6.4 186 16 B E H X S+ 0 0 65 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.931 112.1 45.8 -57.8 -52.3 82.4 6.9 7.6 187 17 B L H X S+ 0 0 1 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.858 109.3 57.0 -62.9 -37.0 79.8 7.1 4.8 188 18 B G H X S+ 0 0 18 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.919 106.1 49.8 -54.1 -48.0 82.6 7.5 2.3 189 19 B D H X S+ 0 0 74 -4,-2.1 4,-3.4 1,-0.2 5,-0.4 0.922 109.2 52.0 -59.8 -44.8 84.2 4.2 3.4 190 20 B R H X S+ 0 0 60 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.901 110.7 47.7 -57.1 -45.0 80.8 2.5 3.1 191 21 B A H < S+ 0 0 31 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.862 117.3 42.8 -63.5 -37.6 80.4 3.8 -0.4 192 22 B R H < S+ 0 0 169 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.928 125.2 29.8 -77.3 -48.1 83.9 2.7 -1.3 193 23 B T H < S- 0 0 94 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.575 90.6-144.9 -92.4 -15.3 84.1 -0.8 0.3 194 24 B R < - 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0 0 7 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.2 -0.716 30.0-150.4 -86.4 140.8 81.0 16.3 -3.7 255 85 B S > - 0 0 46 -2,-0.3 4,-1.2 1,-0.1 5,-0.1 -0.537 30.6-104.6 -96.5 170.6 83.6 16.8 -1.0 256 86 B L H >> S+ 0 0 35 1,-0.2 4,-3.3 2,-0.2 3,-0.8 0.950 123.7 52.6 -58.5 -49.2 83.3 18.7 2.3 257 87 B D H 3> S+ 0 0 93 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.865 99.8 62.3 -57.4 -38.6 85.4 21.5 0.8 258 88 B D H 34 S+ 0 0 49 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.891 117.9 29.7 -52.2 -39.9 83.1 21.7 -2.3 259 89 B V H X< S+ 0 0 1 -4,-1.2 3,-1.8 -3,-0.8 4,-0.2 0.921 119.5 51.4 -87.0 -48.5 80.2 22.6 0.1 260 90 B Y H >< S+ 0 0 7 -4,-3.3 3,-2.1 1,-0.3 -3,-0.2 0.816 97.9 65.6 -64.7 -33.8 82.1 24.4 2.9 261 91 B R T 3< S+ 0 0 159 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.1 0.670 96.6 60.7 -62.6 -10.6 83.9 26.8 0.6 262 92 B K T < 0 0 58 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.537 360.0 360.0 -89.6 -11.0 80.4 28.1 -0.2 263 93 B L < 0 0 56 -3,-2.1 -2,-0.2 -4,-0.2 -1,-0.2 0.520 360.0 360.0-103.9 360.0 79.9 29.1 3.5 264 !* 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 0.0 265 7 C V 0 0 61 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 110.9 84.4 27.6 7.4 266 8 C K + 0 0 169 1,-0.2 2,-0.3 -3,-0.1 -6,-0.1 0.493 360.0 30.5-115.5 -11.1 86.2 24.3 7.5 267 9 C T S > S- 0 0 38 -7,-0.1 4,-1.7 1,-0.1 -1,-0.2 -0.965 76.3-115.3-142.2 165.5 83.6 22.4 9.6 268 10 C F H > S+ 0 0 2 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.862 119.8 56.4 -59.6 -38.1 79.9 22.3 10.3 269 11 C E H > S+ 0 0 117 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.875 101.0 56.3 -64.0 -40.9 80.9 23.3 13.9 270 12 C D H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.940 110.5 44.5 -55.3 -48.9 82.6 26.5 12.5 271 13 C L H X S+ 0 0 6 -4,-1.7 4,-2.9 1,-0.2 5,-0.3 0.931 112.3 52.1 -62.4 -43.1 79.4 27.5 10.8 272 14 C F H X S+ 0 0 29 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.890 109.2 49.0 -64.8 -39.8 77.3 26.7 13.9 273 15 C A H X S+ 0 0 51 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.918 112.7 49.9 -60.8 -45.0 79.6 28.8 16.2 274 16 C E H X S+ 0 0 74 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.970 114.1 42.4 -59.0 -57.8 79.3 31.7 13.7 275 17 C L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.855 112.4 54.8 -60.0 -37.2 75.5 31.5 13.4 276 18 C G H X S+ 0 0 10 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.886 105.6 52.3 -63.4 -39.9 75.1 31.1 17.2 277 19 C D H X S+ 0 0 78 -4,-2.0 4,-2.6 -3,-0.2 5,-0.3 0.879 108.4 51.9 -63.5 -38.1 77.2 34.2 17.9 278 20 C R H X S+ 0 0 69 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.924 110.4 47.5 -63.7 -43.9 74.8 36.1 15.5 279 21 C A H < S+ 0 0 32 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.880 116.7 45.0 -61.7 -40.9 71.7 34.8 17.4 280 22 C R H < S+ 0 0 173 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.876 124.6 27.3 -73.8 -43.2 73.3 35.8 20.7 281 23 C T H < S- 0 0 101 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.588 90.5-142.5-104.2 -13.3 74.7 39.2 20.0 282 24 C R < - 0 0 132 -4,-2.0 -3,-0.1 -5,-0.3 -4,-0.1 0.936 13.6-152.5 51.4 62.8 72.3 40.3 17.3 283 25 C P > - 0 0 52 0, 0.0 3,-1.0 0, 0.0 6,-0.2 -0.394 14.8-130.1 -57.1 142.2 74.5 42.3 14.9 284 26 C A T 3 S+ 0 0 113 1,-0.2 -2,-0.0 5,-0.1 0, 0.0 0.753 100.6 62.9 -68.0 -25.0 72.5 44.9 13.0 285 27 C D T 3 S+ 0 0 161 4,-0.0 2,-0.4 1,-0.0 -1,-0.2 0.514 82.8 122.9 -77.4 0.1 73.8 43.9 9.6 286 28 C S <> + 0 0 25 -3,-1.0 4,-1.9 1,-0.1 5,-0.1 -0.542 43.4 179.5-103.8 120.5 72.4 40.4 9.6 287 29 C T H > S+ 0 0 112 -2,-0.4 4,-2.9 2,-0.2 5,-0.1 0.826 96.1 60.6 -65.1 -32.0 70.0 38.4 7.4 288 30 C T H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 104.7 48.5 -60.3 -46.6 70.5 35.5 9.9 289 31 C V H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.932 112.8 46.8 -58.2 -49.0 69.1 37.7 12.6 290 32 C A H X S+ 0 0 62 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.918 110.8 53.4 -59.8 -42.0 66.1 38.7 10.4 291 33 C A H >< S+ 0 0 21 -4,-2.9 3,-0.9 1,-0.2 4,-0.4 0.955 111.0 46.0 -57.5 -50.7 65.6 35.0 9.5 292 34 C L H >< S+ 0 0 29 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.894 108.5 56.0 -57.2 -43.6 65.5 34.1 13.2 293 35 C D H 3< S+ 0 0 96 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.731 95.0 69.0 -62.5 -23.1 63.1 36.9 14.0 294 36 C G T << S- 0 0 51 -4,-1.2 4,-0.4 -3,-0.9 -1,-0.3 0.648 105.5-129.5 -73.0 -17.4 60.8 35.5 11.3 295 37 C G <> - 0 0 26 -3,-1.7 4,-1.5 -4,-0.4 3,-0.3 0.036 25.3 -64.9 89.9 166.6 60.0 32.5 13.6 296 38 C V H > S+ 0 0 44 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.822 123.6 58.0 -60.1 -41.7 60.0 28.7 13.4 297 39 C H H > S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.933 110.1 43.8 -57.2 -46.5 57.2 28.3 10.9 298 40 C A H > S+ 0 0 30 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.824 113.1 53.2 -69.8 -30.6 59.0 30.5 8.3 299 41 C L H X S+ 0 0 3 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.923 108.8 47.8 -69.3 -44.7 62.3 28.7 8.9 300 42 C G H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.877 111.4 52.6 -60.2 -39.6 60.7 25.2 8.4 301 43 C K H X S+ 0 0 89 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.933 110.4 47.0 -60.2 -47.3 59.2 26.6 5.2 302 44 C K H X S+ 0 0 91 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.887 111.6 50.7 -63.2 -42.8 62.6 27.9 4.0 303 45 C L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.938 111.5 47.3 -62.1 -48.2 64.3 24.5 4.8 304 46 C L H X S+ 0 0 52 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.919 111.2 51.6 -59.7 -46.0 61.6 22.6 2.9 305 47 C E H X S+ 0 0 97 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.892 110.8 49.0 -54.2 -44.2 61.9 25.0 -0.1 306 48 C E H X S+ 0 0 9 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.861 104.6 56.8 -71.1 -37.1 65.7 24.5 -0.1 307 49 C A H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.891 107.0 52.1 -54.8 -42.3 65.4 20.7 0.1 308 50 C G H X S+ 0 0 25 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.929 109.8 47.6 -57.9 -47.6 63.3 21.1 -3.1 309 51 C E H X S+ 0 0 90 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.856 108.5 54.6 -64.2 -39.4 66.1 23.1 -4.8 310 52 C V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.929 109.1 48.7 -57.6 -44.8 68.7 20.6 -3.7 311 53 C W H X S+ 0 0 54 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.952 110.2 50.5 -63.0 -45.3 66.6 17.8 -5.4 312 54 C L H X S+ 0 0 116 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.922 114.3 45.0 -57.4 -46.3 66.3 19.9 -8.6 313 55 C A H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.869 107.8 56.6 -64.3 -39.7 70.1 20.5 -8.6 314 56 C A H < S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.901 117.7 36.1 -58.7 -39.2 70.9 16.8 -7.8 315 57 C E H < S+ 0 0 70 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.783 137.2 10.7 -83.2 -32.1 68.9 15.9 -10.9 316 58 C H H < S+ 0 0 138 -4,-2.2 2,-0.3 -5,-0.2 -3,-0.2 0.351 104.5 76.3-139.7 2.6 69.7 18.8 -13.3 317 59 C E S < S- 0 0 114 -4,-2.5 0, 0.0 -5,-0.2 0, 0.0 -0.787 75.2 -90.6-123.8 168.8 72.5 21.0 -12.2 318 60 C S > - 0 0 64 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.182 39.4-107.1 -66.7 161.8 76.4 21.0 -11.9 319 61 C N H > S+ 0 0 62 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.904 123.4 53.7 -52.3 -45.0 78.3 19.9 -8.9 320 62 C D H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 111.7 43.8 -56.3 -49.4 79.1 23.6 -8.2 321 63 C A H > S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.913 114.3 49.4 -65.1 -43.7 75.4 24.4 -8.3 322 64 C L H X S+ 0 0 0 -4,-3.2 4,-2.8 -9,-0.2 5,-0.2 0.929 109.7 51.8 -59.9 -47.0 74.5 21.4 -6.2 323 65 C A H X S+ 0 0 2 -4,-3.3 4,-2.6 -5,-0.2 -2,-0.2 0.904 108.1 53.1 -55.3 -42.6 77.2 22.2 -3.7 324 66 C E H X S+ 0 0 66 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.939 111.8 44.2 -59.1 -47.4 75.7 25.8 -3.4 325 67 C E H X S+ 0 0 38 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.893 112.3 51.4 -66.1 -41.0 72.2 24.5 -2.7 326 68 C I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.928 107.2 53.6 -64.8 -41.6 73.4 21.9 -0.2 327 69 C S H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.918 109.7 49.6 -53.8 -43.1 75.4 24.7 1.6 328 70 C Q H X S+ 0 0 58 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.899 108.5 51.4 -63.7 -39.8 72.1 26.6 1.8 329 71 C L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.907 110.1 50.0 -63.0 -42.3 70.3 23.6 3.1 330 72 C L H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.910 109.1 53.0 -61.3 -41.3 73.0 23.2 5.9 331 73 C Y H X S+ 0 0 34 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.954 110.8 44.3 -60.0 -52.9 72.6 26.9 6.7 332 74 C W H X S+ 0 0 35 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.839 109.9 57.1 -62.9 -35.4 68.8 26.7 7.2 333 75 C T H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.924 110.6 43.3 -59.7 -47.8 69.2 23.4 9.2 334 76 C Q H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.877 111.6 52.6 -65.9 -39.2 71.5 25.2 11.7 335 77 C V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.931 110.7 49.8 -64.1 -39.6 69.3 28.3 11.8 336 78 C L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.934 108.8 51.4 -61.4 -45.7 66.4 26.0 12.7 337 79 C M H <>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 4,-0.5 0.932 112.4 47.0 -55.2 -47.3 68.5 24.2 15.4 338 80 C I H ><5S+ 0 0 31 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.928 107.5 55.3 -63.0 -46.1 69.3 27.7 16.9 339 81 C S H 3<5S+ 0 0 46 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.862 114.5 40.9 -54.8 -39.4 65.6 28.8 16.8 340 82 C R T 3<5S- 0 0 53 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.405 116.2-112.8 -92.3 1.6 64.6 25.8 18.8 341 83 C G T < 5 + 0 0 55 -3,-1.4 2,-0.3 -4,-0.5 -3,-0.2 0.750 59.9 155.7 72.3 28.1 67.6 25.9 21.2 342 84 C L < - 0 0 6 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.2 -0.686 32.6-142.5 -82.4 139.4 69.3 22.7 20.0 343 85 C S > - 0 0 48 -2,-0.3 4,-1.0 1,-0.1 5,-0.1 -0.518 25.3-111.2 -89.2 164.5 73.0 22.4 20.6 344 86 C L H >> S+ 0 0 17 1,-0.2 4,-3.6 2,-0.2 3,-0.8 0.925 120.6 57.0 -57.6 -43.2 75.4 20.8 18.2 345 87 C D H 3> S+ 0 0 66 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.860 96.8 61.5 -57.4 -40.6 75.8 18.0 20.7 346 88 C D H 34 S+ 0 0 38 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.866 116.7 32.0 -52.8 -40.5 72.1 17.3 20.7 347 89 C V H X< S+ 0 0 0 -4,-1.0 3,-2.2 -3,-0.8 4,-0.3 0.907 115.8 55.4 -85.3 -48.8 72.4 16.4 17.0 348 90 C Y H >< S+ 0 0 14 -4,-3.6 3,-1.8 1,-0.3 -170,-0.4 0.874 99.0 64.3 -54.4 -38.0 75.9 15.0 17.0 349 91 C R T 3< S+ 0 0 136 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.691 105.0 47.3 -56.4 -18.7 74.8 12.5 19.7 350 92 C K T < 0 0 64 -3,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.360 360.0 360.0-108.1 3.7 72.4 11.0 17.1 351 93 C L < 0 0 37 -3,-1.8 -173,-0.2 -4,-0.3 -111,-0.1 -0.395 360.0 360.0 -85.2 360.0 74.8 10.7 14.1