==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-FEB-05 1YVW . COMPND 2 MOLECULE: PHOSPHORIBOSYL-ATP PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR J.BENACH,A.P.KUZIN,F.FOROUHAR,M.ABASHIDZE,S.M.VOROBIEV, . 368 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16031.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 82.6 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 . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 264 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 0 0 0 4 0 0 0 0 4 4 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 4 A A > 0 0 46 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -43.4 -30.2 60.2 156.9 2 5 A F H > + 0 0 9 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.891 360.0 47.9 -67.2 -37.4 -27.7 62.7 158.3 3 6 A K H > S+ 0 0 120 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.863 109.8 53.0 -69.5 -36.1 -28.0 60.9 161.7 4 7 A L H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.902 109.3 48.6 -64.5 -43.1 -27.6 57.5 159.9 5 8 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.917 112.5 48.4 -63.2 -45.3 -24.4 58.8 158.2 6 9 A Y H X S+ 0 0 19 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.910 110.5 50.4 -62.4 -45.6 -23.0 60.1 161.5 7 10 A K H X S+ 0 0 120 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.909 110.2 50.7 -59.2 -44.0 -23.8 56.8 163.4 8 11 A T H X S+ 0 0 21 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.877 109.9 49.6 -61.4 -41.0 -22.1 54.8 160.7 9 12 A I H X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.870 110.9 51.1 -65.8 -37.6 -19.0 57.0 160.9 10 13 A E H X S+ 0 0 80 -4,-2.2 4,-1.0 1,-0.2 3,-0.3 0.870 105.6 55.1 -66.8 -39.2 -19.0 56.6 164.7 11 14 A E H X S+ 0 0 128 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.798 105.6 53.4 -65.1 -30.1 -19.2 52.8 164.4 12 15 A R H < S+ 0 0 49 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.775 100.6 60.0 -75.7 -27.7 -16.1 52.9 162.2 13 16 A K H < S+ 0 0 73 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.797 113.9 36.8 -70.3 -27.8 -14.2 54.8 164.9 14 17 A G H < S+ 0 0 61 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.778 123.6 39.9 -93.2 -34.0 -14.7 51.9 167.3 15 18 A S S < S- 0 0 86 -4,-1.8 -1,-0.2 -5,-0.1 2,-0.1 -0.772 87.0-158.1-119.5 83.7 -14.4 49.0 164.9 16 19 A P - 0 0 83 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.346 17.6-174.6 -69.1 134.0 -11.5 49.9 162.6 17 20 A L > - 0 0 74 -5,-0.2 3,-2.9 -2,-0.1 6,-0.4 -0.937 15.2-155.1-128.7 97.6 -11.1 48.4 159.2 18 21 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.747 93.4 65.8 -46.7 -24.4 -7.8 49.7 157.7 19 22 A E T 3 S+ 0 0 157 4,-0.1 2,-0.2 -3,-0.1 3,-0.0 0.738 87.4 89.7 -71.2 -25.0 -9.3 49.1 154.3 20 23 A S S <> S- 0 0 14 -3,-2.9 4,-1.8 1,-0.1 5,-0.1 -0.487 74.7-137.7 -80.4 146.5 -11.9 51.7 154.9 21 24 A Y H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.865 103.5 57.3 -66.3 -39.4 -11.5 55.4 154.0 22 25 A T H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 108.9 45.4 -60.5 -43.0 -13.1 56.6 157.2 23 26 A N H > S+ 0 0 13 -6,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.883 108.4 57.1 -69.2 -34.9 -10.5 54.7 159.3 24 27 A Y H X S+ 0 0 89 -4,-1.8 4,-2.3 -7,-0.2 -2,-0.2 0.921 108.8 47.8 -59.7 -42.1 -7.8 56.0 157.0 25 28 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 8,-0.3 0.915 111.0 49.0 -65.0 -44.6 -9.0 59.5 158.0 26 29 A F H < S+ 0 0 26 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.883 111.8 50.3 -64.1 -37.1 -9.2 58.7 161.7 27 30 A S H < S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.917 114.2 42.6 -68.7 -41.9 -5.6 57.3 161.5 28 31 A K H < S- 0 0 128 -4,-2.3 3,-0.3 -5,-0.2 4,-0.2 0.775 108.0-160.1 -74.3 -25.3 -4.2 60.4 159.7 29 32 A G >X - 0 0 10 -4,-2.0 4,-1.7 -5,-0.2 3,-1.1 -0.177 33.2 -21.8 84.8-174.2 -6.2 62.6 162.0 30 33 A E H 3> S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.818 126.0 53.7 -40.3 -55.1 -7.6 66.1 162.2 31 34 A D H 3> S+ 0 0 38 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.802 108.4 50.4 -59.8 -33.0 -5.2 67.8 159.7 32 35 A K H <> S+ 0 0 68 -3,-1.1 4,-1.7 -4,-0.2 -1,-0.2 0.926 112.2 46.8 -71.1 -44.4 -6.0 65.3 157.0 33 36 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 -8,-0.3 -2,-0.2 0.911 111.0 51.7 -63.2 -44.5 -9.8 65.8 157.5 34 37 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.894 107.6 52.3 -61.5 -40.3 -9.5 69.6 157.5 35 38 A K H X S+ 0 0 57 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.887 108.9 51.5 -63.0 -38.8 -7.5 69.5 154.2 36 39 A K H X S+ 0 0 52 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.911 107.7 51.9 -64.4 -41.2 -10.3 67.4 152.7 37 40 A I H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.885 111.0 47.3 -63.5 -40.4 -12.9 69.9 153.8 38 41 A G H X S+ 0 0 7 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.921 114.1 46.7 -66.9 -44.3 -11.0 72.8 152.3 39 42 A E H X S+ 0 0 40 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.922 113.6 48.3 -62.1 -47.4 -10.5 70.9 149.0 40 43 A E H X S+ 0 0 12 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.838 107.9 55.0 -63.1 -37.3 -14.1 69.8 148.8 41 44 A C H X S+ 0 0 8 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.919 107.9 49.1 -63.6 -42.4 -15.4 73.3 149.5 42 45 A A H X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.904 108.6 54.4 -63.5 -39.2 -13.3 74.5 146.6 43 46 A E H X S+ 0 0 27 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.827 105.8 52.4 -63.8 -32.3 -14.9 71.7 144.5 44 47 A V H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.903 109.9 48.3 -69.3 -42.2 -18.4 72.9 145.5 45 48 A I H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.959 114.5 45.4 -62.2 -49.4 -17.5 76.5 144.3 46 49 A I H X S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.917 114.1 48.6 -59.7 -47.4 -16.1 75.2 141.0 47 50 A A H <>S+ 0 0 4 -4,-2.4 5,-1.9 1,-0.2 4,-0.3 0.873 110.6 51.5 -61.1 -41.6 -19.0 72.8 140.4 48 51 A C H ><5S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.908 109.8 48.6 -63.8 -41.8 -21.6 75.6 141.2 49 52 A K H 3<5S+ 0 0 27 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.725 108.4 54.8 -70.1 -23.9 -19.9 78.0 138.7 50 53 A N T 3<5S- 0 0 71 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.481 108.9-129.2 -84.5 -6.8 -19.9 75.2 136.1 51 54 A N T < 5 + 0 0 103 -3,-1.1 2,-1.1 -4,-0.3 -3,-0.2 0.744 57.1 149.4 61.6 26.6 -23.7 74.9 136.7 52 55 A D >< - 0 0 74 -5,-1.9 4,-2.0 1,-0.2 -1,-0.2 -0.767 24.2-176.6 -92.7 93.0 -23.2 71.1 137.2 53 56 A K H > S+ 0 0 100 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.866 79.3 53.8 -59.2 -42.9 -26.0 70.3 139.6 54 57 A E H > S+ 0 0 139 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 111.3 46.5 -59.9 -42.5 -25.1 66.6 140.0 55 58 A E H > S+ 0 0 66 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.867 107.9 56.0 -68.5 -36.2 -21.5 67.6 140.9 56 59 A V H X S+ 0 0 2 -4,-2.0 4,-2.5 -9,-0.2 -1,-0.2 0.918 109.6 47.3 -61.3 -42.3 -22.7 70.2 143.4 57 60 A V H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.910 113.1 47.5 -65.1 -44.9 -24.7 67.6 145.2 58 61 A K H X S+ 0 0 73 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.931 116.6 42.9 -63.0 -48.0 -21.8 65.1 145.2 59 62 A E H X S+ 0 0 12 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.870 112.5 52.5 -67.8 -37.6 -19.3 67.6 146.5 60 63 A X H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.946 111.6 46.4 -65.2 -43.7 -21.7 69.2 149.0 61 64 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.855 109.5 56.3 -65.4 -31.7 -22.4 65.7 150.5 62 65 A D H X S+ 0 0 31 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.904 107.1 48.4 -64.1 -43.2 -18.6 65.1 150.4 63 66 A V H X S+ 0 0 5 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.939 112.8 48.3 -62.2 -45.8 -18.2 68.3 152.5 64 67 A F H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.896 109.2 52.7 -62.6 -42.2 -20.9 67.0 154.9 65 68 A Y H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.938 111.6 45.4 -59.9 -47.3 -19.3 63.6 155.2 66 69 A H H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.839 110.1 54.7 -67.7 -31.6 -15.9 65.0 156.1 67 70 A C H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.904 110.0 47.3 -66.7 -39.6 -17.5 67.4 158.6 68 71 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.904 110.2 51.3 -68.4 -39.4 -19.2 64.5 160.3 69 72 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.922 110.5 50.9 -61.5 -41.3 -15.9 62.5 160.3 70 73 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.879 107.3 52.4 -62.7 -42.3 -14.3 65.6 161.9 71 74 A L H <>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 4,-0.4 0.964 111.6 46.0 -58.5 -50.8 -17.1 65.8 164.6 72 75 A A H ><5S+ 0 0 1 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.888 113.0 50.8 -57.8 -43.0 -16.5 62.1 165.5 73 76 A E H 3<5S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.857 114.5 42.1 -64.0 -39.3 -12.7 62.7 165.5 74 77 A K T 3<5S- 0 0 27 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.369 114.4-118.3 -89.1 3.3 -13.0 65.8 167.8 75 78 A N T < 5 + 0 0 121 -3,-0.8 2,-0.6 -4,-0.4 -3,-0.2 0.932 58.7 155.4 58.5 48.1 -15.6 63.9 170.0 76 79 A I < - 0 0 4 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.948 42.7-124.1-107.9 121.2 -18.4 66.4 169.2 77 80 A A >> - 0 0 40 -2,-0.6 4,-0.9 1,-0.1 3,-0.9 -0.377 8.9-132.9 -65.5 140.4 -21.8 65.0 169.6 78 81 A L H >> S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.864 105.1 62.7 -61.1 -37.2 -24.2 65.3 166.6 79 82 A E H 3> S+ 0 0 113 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.785 95.1 60.5 -61.2 -27.3 -27.0 66.5 168.8 80 83 A D H <> S+ 0 0 61 -3,-0.9 4,-1.7 2,-0.2 -1,-0.3 0.914 108.4 44.3 -64.5 -39.9 -24.9 69.6 169.7 81 84 A V H 0 0 44 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -42.8 -34.1 69.8 161.5 95 5 B F H > + 0 0 8 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.886 360.0 48.1 -67.3 -37.4 -32.0 70.0 158.4 96 6 B K H > S+ 0 0 122 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.868 109.8 52.9 -69.3 -36.5 -35.2 69.7 156.4 97 7 B L H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 109.3 48.9 -64.0 -42.9 -36.8 72.4 158.6 98 8 B L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.914 112.6 47.9 -63.6 -43.8 -33.9 74.8 157.9 99 9 B Y H X S+ 0 0 21 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.915 110.7 50.5 -64.1 -45.5 -34.1 74.1 154.1 100 10 B K H X S+ 0 0 116 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.915 110.1 50.8 -58.5 -44.9 -37.9 74.7 154.1 101 11 B T H X S+ 0 0 20 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.870 110.1 49.2 -61.1 -40.2 -37.5 78.0 155.9 102 12 B I H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.867 110.9 51.4 -67.0 -36.7 -34.8 79.1 153.5 103 13 B E H X S+ 0 0 79 -4,-2.2 4,-1.0 1,-0.2 3,-0.3 0.873 105.6 54.7 -66.9 -39.8 -37.2 78.2 150.6 104 14 B E H X S+ 0 0 130 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.803 105.5 53.7 -64.3 -31.1 -40.0 80.2 152.1 105 15 B R H < S+ 0 0 46 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.767 100.5 60.4 -74.9 -26.4 -37.8 83.2 152.2 106 16 B K H < S+ 0 0 75 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.809 113.7 36.5 -70.6 -29.4 -37.0 82.9 148.5 107 17 B G H < S+ 0 0 63 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.789 123.5 40.4 -91.8 -34.8 -40.7 83.2 147.7 108 18 B S S < S- 0 0 87 -4,-1.9 -1,-0.2 -5,-0.1 2,-0.1 -0.770 86.8-157.3-118.2 83.2 -41.7 85.8 150.3 109 19 B P - 0 0 89 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.346 17.6-174.8 -67.5 134.7 -38.8 88.3 150.4 110 20 B L > - 0 0 72 -5,-0.2 3,-2.9 -2,-0.1 6,-0.4 -0.926 14.8-155.7-129.3 97.3 -38.0 90.5 153.4 111 21 B P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.743 93.1 65.2 -46.2 -25.8 -35.2 92.8 152.4 112 22 B E T 3 S+ 0 0 156 4,-0.1 2,-0.2 -3,-0.1 3,-0.0 0.750 87.7 89.7 -70.8 -25.4 -34.4 93.1 156.1 113 23 B S S <> S- 0 0 15 -3,-2.9 4,-1.7 1,-0.1 5,-0.1 -0.473 74.8-137.5 -80.0 146.5 -33.5 89.4 156.2 114 24 B Y H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.861 103.6 57.4 -66.4 -38.4 -30.0 88.0 155.6 115 25 B T H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 108.8 45.3 -61.1 -43.4 -31.3 85.1 153.5 116 26 B N H > S+ 0 0 14 -6,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.866 108.7 56.9 -69.1 -33.9 -33.0 87.5 151.1 117 27 B Y H X S+ 0 0 92 -4,-1.7 4,-2.3 -7,-0.2 5,-0.2 0.930 108.9 47.8 -60.6 -42.9 -29.9 89.7 151.1 118 28 B L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 8,-0.3 0.910 111.0 49.3 -63.7 -45.9 -28.0 86.5 149.9 119 29 B F H < S+ 0 0 24 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.880 111.6 50.2 -62.3 -37.8 -30.6 85.7 147.2 120 30 B S H < S+ 0 0 90 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.910 114.5 42.3 -69.0 -41.7 -30.4 89.3 145.9 121 31 B K H < S- 0 0 126 -4,-2.3 3,-0.3 -5,-0.2 4,-0.2 0.761 108.0-160.8 -74.7 -25.5 -26.6 89.3 145.7 122 32 B G >X - 0 0 11 -4,-2.1 4,-1.7 -5,-0.2 3,-1.0 -0.180 33.3 -20.8 85.5-173.0 -26.7 85.8 144.3 123 33 B E H 3> S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.828 126.0 53.9 -40.7 -54.7 -24.5 82.8 143.8 124 34 B D H 3> S+ 0 0 40 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.810 108.5 49.8 -59.5 -33.8 -21.1 84.5 144.0 125 35 B K H <> S+ 0 0 69 -3,-1.0 4,-1.8 -4,-0.2 -1,-0.2 0.925 112.2 47.1 -71.9 -44.3 -21.9 86.0 147.4 126 36 B I H X S+ 0 0 0 -4,-1.7 4,-2.2 -8,-0.3 -2,-0.2 0.911 110.9 51.8 -63.7 -42.8 -23.1 82.7 148.8 127 37 B L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.879 107.7 52.2 -62.7 -39.0 -20.0 80.9 147.5 128 38 B K H X S+ 0 0 59 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.891 109.0 51.2 -64.6 -39.5 -17.7 83.5 149.1 129 39 B K H X S+ 0 0 49 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.905 108.1 51.6 -64.0 -41.8 -19.5 82.9 152.4 130 40 B I H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.908 111.2 47.3 -61.9 -43.0 -19.0 79.2 152.1 131 41 B G H X S+ 0 0 7 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.919 114.3 46.7 -64.5 -44.6 -15.3 79.6 151.5 132 42 B E H X S+ 0 0 37 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 113.4 48.6 -61.8 -46.9 -14.9 82.0 154.4 133 43 B E H X S+ 0 0 11 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.837 107.9 54.7 -63.6 -37.3 -16.9 79.8 156.7 134 44 B C H X S+ 0 0 8 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.911 107.8 49.4 -64.7 -41.6 -14.9 76.7 155.8 135 45 B A H X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.918 108.9 54.1 -63.1 -39.0 -11.7 78.6 156.7 136 46 B E H X S+ 0 0 30 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.838 105.9 52.2 -64.1 -32.7 -13.4 79.5 160.0 137 47 B V H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.897 110.4 47.8 -69.3 -41.1 -14.1 75.8 160.7 138 48 B I H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.949 114.4 45.8 -63.5 -49.0 -10.5 74.9 160.1 139 49 B I H X S+ 0 0 2 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.918 114.0 48.9 -59.9 -45.4 -9.2 77.7 162.4 140 50 B A H <>S+ 0 0 5 -4,-2.4 5,-2.0 1,-0.2 4,-0.3 0.878 110.5 51.2 -64.1 -39.3 -11.8 76.9 165.1 141 51 B C H ><5S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.900 109.4 49.1 -66.5 -39.8 -10.9 73.2 165.0 142 52 B K H 3<5S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.720 108.4 54.7 -71.0 -22.4 -7.2 74.0 165.3 143 53 B N T 3<5S- 0 0 72 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.487 109.0-128.6 -86.4 -6.2 -8.0 76.2 168.3 144 54 B N T < 5 + 0 0 103 -3,-1.0 2,-1.1 -4,-0.3 -3,-0.2 0.745 57.4 149.6 61.9 26.9 -9.8 73.3 169.9 145 55 B D >< - 0 0 71 -5,-2.0 4,-2.0 1,-0.2 -1,-0.2 -0.772 23.5-177.5 -91.8 94.3 -12.9 75.5 170.3 146 56 B K H > S+ 0 0 101 -2,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.876 79.3 53.6 -62.2 -41.6 -15.7 73.0 170.1 147 57 B E H > S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 111.6 46.6 -59.6 -43.3 -18.5 75.6 170.5 148 58 B E H > S+ 0 0 64 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.864 107.8 55.8 -68.2 -35.5 -17.0 77.6 167.6 149 59 B V H X S+ 0 0 2 -4,-2.0 4,-2.5 -9,-0.2 -1,-0.2 0.926 109.9 47.4 -62.5 -41.9 -16.6 74.5 165.4 150 60 B V H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.917 112.9 47.5 -64.6 -46.2 -20.3 73.8 165.8 151 61 B K H X S+ 0 0 73 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.929 116.7 42.9 -61.9 -47.7 -21.4 77.4 165.0 152 62 B E H X S+ 0 0 14 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.855 112.3 52.6 -69.1 -35.6 -19.2 77.6 162.0 153 63 B X H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.931 111.6 46.3 -66.6 -41.6 -20.1 74.2 160.7 154 64 B V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.848 109.3 56.5 -66.8 -32.2 -23.8 75.0 160.9 155 65 B D H X S+ 0 0 30 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.910 107.3 48.2 -63.2 -42.5 -22.9 78.3 159.2 156 66 B V H X S+ 0 0 6 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.936 112.9 48.5 -62.9 -45.2 -21.4 76.3 156.4 157 67 B F H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.879 109.0 52.5 -63.1 -41.7 -24.5 74.1 156.2 158 68 B Y H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.945 111.9 45.3 -61.0 -47.8 -26.9 77.1 156.3 159 69 B H H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.827 109.6 55.3 -67.5 -31.1 -25.1 78.7 153.3 160 70 B C H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.912 109.6 47.5 -66.7 -39.6 -25.0 75.4 151.4 161 71 B F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.893 110.2 51.1 -68.1 -39.7 -28.7 75.2 151.8 162 72 B V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.935 110.4 51.1 -62.4 -41.3 -29.2 78.8 150.7 163 73 B L H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.866 107.4 52.5 -62.3 -40.3 -27.0 77.9 147.7 164 74 B L H <>S+ 0 0 1 -4,-2.0 5,-2.6 2,-0.2 4,-0.4 0.974 111.6 45.5 -59.3 -53.1 -29.2 74.8 146.9 165 75 B A H ><5S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.896 112.8 51.6 -56.8 -43.9 -32.4 77.0 146.9 166 76 B E H 3<5S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.853 114.4 41.6 -62.9 -38.8 -30.6 79.6 144.8 167 77 B K T 3<5S- 0 0 29 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.360 114.8-117.9 -90.4 4.6 -29.5 77.0 142.2 168 78 B N T < 5 + 0 0 121 -3,-1.0 2,-0.6 -4,-0.4 -3,-0.2 0.928 59.0 155.4 58.7 48.1 -32.9 75.3 142.4 169 79 B I < - 0 0 3 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.948 42.6-124.1-108.4 121.2 -31.5 72.1 143.6 170 80 B A >> - 0 0 40 -2,-0.6 4,-0.9 1,-0.1 3,-0.8 -0.373 8.8-132.8 -65.7 140.5 -34.0 70.0 145.6 171 81 B L H >> S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.857 104.8 62.8 -61.0 -36.8 -33.0 68.9 149.1 172 82 B E H 3> S+ 0 0 111 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.794 95.1 60.6 -60.8 -28.7 -34.1 65.3 148.4 173 83 B D H <> S+ 0 0 58 -3,-0.8 4,-1.7 2,-0.2 -1,-0.3 0.914 108.3 44.6 -63.7 -39.8 -31.5 65.1 145.7 174 84 B V H 0 0 45 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -42.0 7.9 94.8 144.0 188 5 C F H > + 0 0 8 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.883 360.0 47.7 -66.7 -37.4 7.0 91.7 146.1 189 6 C K H > S+ 0 0 122 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.859 109.7 52.9 -69.8 -36.5 10.0 92.6 148.3 190 7 C L H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.909 109.3 49.1 -64.0 -42.9 8.8 96.3 148.4 191 8 C L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.922 112.5 47.7 -62.5 -46.0 5.3 95.1 149.6 192 9 C Y H X S+ 0 0 22 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.911 110.7 50.6 -62.9 -45.3 6.8 92.9 152.3 193 10 C K H X S+ 0 0 117 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.910 110.1 50.6 -59.4 -44.1 9.1 95.6 153.6 194 11 C T H X S+ 0 0 20 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.874 110.2 49.3 -61.4 -40.5 6.2 98.1 153.8 195 12 C I H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.871 110.9 51.2 -67.0 -37.1 4.1 95.5 155.7 196 13 C E H X S+ 0 0 80 -4,-2.2 4,-1.0 1,-0.2 3,-0.4 0.874 105.6 54.9 -66.5 -40.1 7.1 95.0 158.0 197 14 C E H X S+ 0 0 127 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.792 105.5 53.8 -64.5 -29.8 7.4 98.8 158.6 198 15 C R H < S+ 0 0 49 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.767 100.2 60.3 -75.7 -27.3 3.8 98.9 159.7 199 16 C K H < S+ 0 0 74 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.804 113.9 36.6 -70.3 -28.5 4.4 96.2 162.3 200 17 C G H < S+ 0 0 61 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.794 123.7 40.1 -92.2 -35.1 6.9 98.4 164.1 201 18 C S S < S- 0 0 84 -4,-1.8 -1,-0.2 -5,-0.1 2,-0.1 -0.778 86.8-158.3-117.9 83.4 5.3 101.8 163.6 202 19 C P - 0 0 83 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.370 17.5-174.4 -69.4 135.5 1.5 101.1 164.1 203 20 C L > - 0 0 76 -5,-0.2 3,-2.9 -2,-0.1 6,-0.4 -0.933 15.2-155.0-129.4 97.6 -1.2 103.4 162.8 204 21 C P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.746 93.3 65.6 -45.3 -26.8 -4.5 102.1 164.2 205 22 C E T 3 S+ 0 0 152 4,-0.1 2,-0.2 -3,-0.1 3,-0.0 0.738 87.4 89.6 -69.9 -25.5 -6.1 103.8 161.1 206 23 C S S <> S- 0 0 18 -3,-2.9 4,-1.7 1,-0.1 5,-0.1 -0.467 74.6-137.6 -80.2 147.3 -4.4 101.3 158.8 207 24 C Y H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.860 103.7 57.7 -67.1 -38.1 -5.7 98.0 157.6 208 25 C T H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 109.0 44.8 -61.3 -43.3 -2.3 96.3 158.1 209 26 C N H > S+ 0 0 14 -6,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.878 108.8 57.0 -69.8 -34.0 -2.2 97.3 161.8 210 27 C Y H X S+ 0 0 88 -4,-1.7 4,-2.1 -7,-0.2 -1,-0.2 0.908 109.0 47.8 -60.5 -41.5 -5.8 96.2 162.2 211 28 C L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 8,-0.3 0.918 111.1 49.1 -65.7 -45.4 -4.8 92.8 160.9 212 29 C F H < S+ 0 0 25 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.876 111.6 50.3 -62.8 -37.9 -1.8 92.6 163.3 213 30 C S H < S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.903 114.2 42.7 -69.3 -40.7 -3.9 93.6 166.2 214 31 C K H < S- 0 0 126 -4,-2.1 3,-0.3 -5,-0.2 4,-0.2 0.769 108.1-160.0 -75.0 -26.1 -6.6 91.0 165.5 215 32 C G >X - 0 0 11 -4,-2.0 4,-1.8 -5,-0.2 3,-1.0 -0.187 32.6 -21.8 87.0-173.5 -3.8 88.5 164.8 216 33 C E H 3> S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.822 125.7 54.0 -42.5 -53.9 -3.2 85.2 163.0 217 34 C D H 3> S+ 0 0 39 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.811 108.4 50.0 -60.1 -32.9 -6.8 83.9 162.9 218 35 C K H <> S+ 0 0 68 -3,-1.0 4,-1.9 -4,-0.2 -1,-0.2 0.930 111.9 47.4 -71.9 -44.9 -8.1 87.1 161.2 219 36 C I H X S+ 0 0 0 -4,-1.8 4,-2.1 -8,-0.3 -2,-0.2 0.905 111.1 51.4 -62.6 -41.8 -5.4 87.0 158.5 220 37 C L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.873 107.7 52.2 -64.1 -39.5 -6.0 83.3 157.9 221 38 C K H X S+ 0 0 57 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.895 109.1 51.3 -63.7 -39.8 -9.8 83.9 157.5 222 39 C K H X S+ 0 0 49 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.891 107.7 51.9 -63.7 -40.9 -8.9 86.6 154.9 223 40 C I H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.905 111.1 47.3 -63.8 -40.6 -6.7 84.3 153.0 224 41 C G H X S+ 0 0 7 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.907 113.9 47.0 -66.9 -43.3 -9.4 81.6 152.8 225 42 C E H X S+ 0 0 40 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.926 113.6 48.2 -62.3 -47.8 -12.0 84.2 151.7 226 43 C E H X S+ 0 0 10 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.826 108.1 54.7 -63.6 -35.9 -9.7 85.7 149.1 227 44 C C H X S+ 0 0 9 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.904 107.7 49.8 -66.0 -40.1 -8.8 82.3 147.7 228 45 C A H X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.908 108.8 53.6 -64.4 -38.5 -12.5 81.6 147.2 229 46 C E H X S+ 0 0 29 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.804 105.6 53.3 -65.9 -30.4 -12.8 85.0 145.5 230 47 C V H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.921 109.8 47.8 -69.9 -42.1 -10.0 84.0 143.1 231 48 C I H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.949 114.4 45.7 -62.0 -49.3 -11.8 80.8 142.2 232 49 C I H X S+ 0 0 3 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.910 113.8 48.9 -60.4 -45.9 -15.1 82.7 141.6 233 50 C A H <>S+ 0 0 4 -4,-2.4 5,-1.9 1,-0.2 4,-0.4 0.888 110.3 51.3 -63.1 -41.8 -13.4 85.4 139.6 234 51 C C H ><5S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.903 109.6 48.8 -64.3 -39.9 -11.6 82.9 137.4 235 52 C K H 3<5S+ 0 0 25 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.727 108.3 55.0 -71.4 -23.2 -14.8 81.0 136.6 236 53 C N T 3<5S- 0 0 69 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.514 109.2-129.2 -83.3 -9.5 -16.4 84.3 135.8 237 54 C N T < 5 + 0 0 101 -3,-1.1 2,-1.1 -4,-0.4 -3,-0.2 0.750 57.0 149.2 63.4 28.2 -13.6 84.9 133.3 238 55 C D >< - 0 0 70 -5,-1.9 4,-2.1 1,-0.2 -1,-0.2 -0.780 24.4-176.6 -94.3 93.9 -13.0 88.3 134.8 239 56 C K H > S+ 0 0 95 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.872 79.5 53.6 -59.7 -43.8 -9.3 88.9 134.4 240 57 C E H > S+ 0 0 142 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 111.7 46.3 -59.0 -42.4 -9.1 92.2 136.2 241 58 C E H > S+ 0 0 65 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.875 107.8 56.1 -68.8 -37.1 -10.8 90.7 139.2 242 59 C V H X S+ 0 0 2 -4,-2.1 4,-2.6 -9,-0.2 -1,-0.2 0.929 109.8 47.4 -59.5 -43.9 -8.5 87.6 139.2 243 60 C V H X S+ 0 0 11 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.898 112.7 47.6 -64.1 -45.2 -5.5 89.9 139.4 244 61 C K H X S+ 0 0 72 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.918 116.5 43.2 -63.7 -46.3 -7.0 92.0 142.2 245 62 C E H X S+ 0 0 12 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.868 112.2 52.6 -69.3 -36.6 -8.0 89.0 144.3 246 63 C X H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.944 111.5 46.3 -65.1 -44.4 -4.7 87.1 143.6 247 64 C V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.825 109.3 56.7 -65.4 -30.0 -2.7 90.2 144.8 248 65 C D H X S+ 0 0 31 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.922 106.8 48.4 -65.2 -44.7 -5.1 90.3 147.7 249 66 C V H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.937 113.1 48.1 -60.8 -46.0 -4.1 86.7 148.6 250 67 C F H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.889 109.2 52.6 -62.3 -42.9 -0.4 87.6 148.2 251 68 C Y H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.932 112.2 45.1 -59.4 -46.2 -0.8 90.7 150.4 252 69 C H H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.841 109.4 55.4 -69.6 -32.3 -2.4 88.7 153.2 253 70 C C H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.897 110.0 47.1 -65.5 -38.9 0.2 85.9 152.9 254 71 C F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.902 110.2 51.4 -69.6 -39.6 2.9 88.5 153.4 255 72 C V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.928 110.4 50.9 -61.0 -41.9 1.1 90.1 156.4 256 73 C L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.876 107.7 52.4 -61.9 -41.3 0.9 86.5 157.8 257 74 C L H <>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 4,-0.4 0.967 111.4 46.0 -59.0 -51.9 4.7 86.0 157.3 258 75 C A H ><5S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.890 112.9 51.1 -57.2 -43.2 5.4 89.2 159.2 259 76 C E H 3<5S+ 0 0 48 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.857 114.5 41.8 -63.9 -39.7 2.9 88.2 161.9 260 77 C K T 3<5S- 0 0 28 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.358 114.5-118.0 -88.9 3.4 4.5 84.7 162.3 261 78 C N T < 5 + 0 0 120 -3,-0.9 2,-0.6 -4,-0.4 -3,-0.2 0.928 58.9 155.2 59.3 48.3 8.0 86.3 162.1 262 79 C I < - 0 0 2 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.947 42.8-123.8-108.9 121.9 8.9 84.4 158.9 263 80 C A >> - 0 0 39 -2,-0.6 3,-0.9 1,-0.1 4,-0.9 -0.372 8.9-132.7 -65.8 140.8 11.6 86.0 156.8 264 81 C L H >> S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 3,-0.6 0.866 104.9 62.8 -61.0 -37.8 10.8 86.8 153.2 265 82 C E H 3> S+ 0 0 109 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.776 94.8 60.8 -60.7 -27.3 14.1 85.3 152.0 266 83 C D H <> S+ 0 0 57 -3,-0.9 4,-1.7 2,-0.2 -1,-0.3 0.906 108.2 44.6 -64.7 -39.2 13.0 82.0 153.4 267 84 C V H 0 0 48 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -44.5 12.7 84.7 141.3 281 5 D F H > + 0 0 8 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.891 360.0 48.0 -66.0 -37.3 8.9 85.1 141.0 282 6 D K H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.868 109.7 52.7 -69.8 -35.9 9.5 86.2 137.4 283 7 D L H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.907 109.3 49.0 -64.3 -43.5 11.8 83.2 136.8 284 8 D L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.924 112.6 47.6 -61.7 -46.4 9.2 80.8 138.1 285 9 D Y H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.911 110.9 50.5 -62.4 -45.7 6.5 82.4 135.9 286 10 D K H X S+ 0 0 120 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.912 110.3 50.5 -59.2 -43.6 8.8 82.2 132.8 287 11 D T H X S+ 0 0 20 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.870 110.3 49.2 -62.1 -40.5 9.5 78.6 133.4 288 12 D I H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.867 110.9 51.3 -66.9 -36.6 5.8 77.8 133.8 289 13 D E H X S+ 0 0 79 -4,-2.2 4,-1.0 1,-0.2 3,-0.4 0.873 105.5 54.9 -67.1 -40.2 5.2 79.7 130.5 290 14 D E H X S+ 0 0 129 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.794 105.4 53.9 -64.2 -30.4 8.0 77.7 128.7 291 15 D R H < S+ 0 0 47 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.760 100.3 60.0 -75.3 -27.0 6.2 74.4 129.7 292 16 D K H < S+ 0 0 72 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.810 113.7 37.1 -70.9 -28.6 2.9 75.6 128.2 293 17 D G H < S+ 0 0 62 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.793 123.5 39.9 -91.8 -35.0 4.6 75.8 124.8 294 18 D S S < S- 0 0 86 -4,-1.8 -1,-0.2 -5,-0.1 2,-0.1 -0.775 86.8-157.7-118.3 83.6 6.9 72.8 125.0 295 19 D P - 0 0 83 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.357 17.5-174.7 -68.6 134.8 4.8 70.1 126.7 296 20 D L > - 0 0 74 -5,-0.2 3,-3.0 -2,-0.1 6,-0.3 -0.928 15.1-155.2-129.1 96.9 6.4 67.2 128.6 297 21 D P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.740 93.2 65.6 -45.4 -25.9 3.5 64.8 129.7 298 22 D E T 3 S+ 0 0 155 4,-0.1 2,-0.2 -3,-0.1 3,-0.0 0.743 87.5 89.7 -70.5 -25.5 5.9 63.6 132.4 299 23 D S S <> S- 0 0 16 -3,-3.0 4,-1.7 1,-0.1 5,-0.1 -0.477 74.5-137.7 -80.1 146.4 5.8 67.1 134.1 300 24 D Y H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.852 103.5 57.5 -66.7 -37.7 3.3 68.2 136.7 301 25 D T H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 108.9 44.8 -61.9 -43.5 2.9 71.6 135.1 302 26 D N H > S+ 0 0 13 -6,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.851 108.7 57.5 -70.0 -32.2 1.8 70.1 131.8 303 27 D Y H X S+ 0 0 90 -4,-1.7 4,-2.2 -7,-0.2 -2,-0.2 0.920 108.7 47.3 -61.8 -41.3 -0.4 67.7 133.7 304 28 D L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 8,-0.2 0.920 111.1 49.5 -65.8 -45.4 -2.1 70.8 135.2 305 29 D F H < S+ 0 0 25 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.883 111.5 50.2 -62.3 -37.8 -2.4 72.5 131.8 306 30 D S H < S+ 0 0 90 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.920 114.3 42.5 -68.5 -42.7 -4.0 69.4 130.3 307 31 D K H < S- 0 0 129 -4,-2.2 3,-0.3 -5,-0.2 4,-0.2 0.768 108.2-160.1 -73.5 -25.1 -6.5 69.0 133.1 308 32 D G >X - 0 0 10 -4,-2.1 4,-1.7 -5,-0.2 3,-1.0 -0.165 33.4 -21.6 84.2-174.6 -7.1 72.7 132.9 309 33 D E H 3> S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.804 125.8 54.0 -40.3 -52.7 -8.6 75.6 135.0 310 34 D D H 3> S+ 0 0 42 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.824 108.2 50.0 -61.1 -34.1 -10.7 73.5 137.4 311 35 D K H <> S+ 0 0 67 -3,-1.0 4,-1.9 -4,-0.2 -1,-0.2 0.928 112.0 47.7 -70.5 -44.5 -7.9 71.3 138.4 312 36 D I H X S+ 0 0 0 -4,-1.7 4,-2.2 -8,-0.2 -2,-0.2 0.908 110.9 51.1 -62.8 -44.4 -5.6 74.2 139.2 313 37 D L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.881 107.8 52.7 -62.2 -38.9 -8.3 76.0 141.2 314 38 D K H X S+ 0 0 59 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.909 109.0 50.7 -63.1 -41.1 -8.9 72.9 143.3 315 39 D K H X S+ 0 0 49 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.906 108.0 52.1 -63.1 -40.8 -5.2 72.8 144.0 316 40 D I H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.894 111.1 47.0 -63.2 -41.4 -5.2 76.4 145.1 317 41 D G H X S+ 0 0 7 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.913 114.2 47.0 -66.6 -43.2 -8.1 75.8 147.5 318 42 D E H X S+ 0 0 39 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.919 113.6 48.0 -63.1 -46.7 -6.4 72.7 148.9 319 43 D E H X S+ 0 0 10 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.837 107.6 55.7 -64.5 -36.7 -3.1 74.5 149.3 320 44 D C H X S+ 0 0 10 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.900 107.8 48.8 -62.8 -41.6 -4.7 77.5 150.9 321 45 D A H X S+ 0 0 3 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.907 108.8 54.5 -64.1 -40.2 -6.2 75.1 153.6 322 46 D E H X S+ 0 0 30 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.831 105.6 52.3 -62.7 -33.7 -2.7 73.6 154.0 323 47 D V H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.896 110.1 48.5 -68.4 -41.4 -1.3 77.1 154.7 324 48 D I H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.952 114.4 45.2 -62.3 -50.6 -3.9 77.7 157.4 325 49 D I H X S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.909 114.0 49.3 -60.2 -46.1 -3.3 74.3 159.0 326 50 D A H <>S+ 0 0 5 -4,-2.4 5,-1.9 1,-0.2 4,-0.4 0.890 110.2 51.2 -62.4 -41.3 0.5 74.7 158.9 327 51 D C H ><5S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.906 109.7 48.9 -64.2 -41.1 0.3 78.2 160.4 328 52 D K H 3<5S+ 0 0 29 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.727 108.0 55.2 -70.1 -23.3 -1.9 77.0 163.3 329 53 D N T 3<5S- 0 0 73 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.505 108.9-129.4 -84.1 -8.7 0.6 74.1 163.8 330 54 D N T < 5 + 0 0 105 -3,-1.1 2,-1.1 -4,-0.4 -3,-0.2 0.730 57.1 149.1 63.8 26.0 3.4 76.8 164.1 331 55 D D >< - 0 0 72 -5,-1.9 4,-2.1 1,-0.2 -1,-0.2 -0.766 24.5-176.7 -92.9 95.1 5.4 74.9 161.5 332 56 D K H > S+ 0 0 97 -2,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.875 79.5 53.5 -60.3 -43.7 7.3 77.6 159.7 333 57 D E H > S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 111.7 46.4 -58.9 -43.1 9.0 75.4 157.2 334 58 D E H > S+ 0 0 67 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.878 107.9 56.0 -67.9 -37.3 5.6 73.9 156.2 335 59 D V H X S+ 0 0 2 -4,-2.1 4,-2.5 -9,-0.2 -1,-0.2 0.915 109.9 47.3 -60.1 -42.1 4.1 77.4 156.0 336 60 D V H X S+ 0 0 11 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.908 112.9 47.0 -66.3 -45.6 6.8 78.4 153.5 337 61 D K H X S+ 0 0 73 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.922 116.8 43.6 -62.4 -47.1 6.4 75.2 151.4 338 62 D E H X S+ 0 0 12 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.875 112.2 52.3 -68.2 -36.9 2.6 75.5 151.2 339 63 D X H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.942 111.5 46.3 -65.3 -44.4 2.7 79.3 150.6 340 64 D V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.838 109.4 56.8 -65.7 -30.3 5.1 78.8 147.7 341 65 D D H X S+ 0 0 31 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.908 106.6 48.5 -65.6 -42.3 2.8 76.0 146.5 342 66 D V H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.943 113.0 48.2 -63.1 -44.4 -0.1 78.4 146.5 343 67 D F H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.889 109.3 52.5 -63.0 -42.2 2.1 80.9 144.5 344 68 D Y H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.937 111.7 45.4 -60.2 -48.0 3.2 78.3 142.0 345 69 D H H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.818 109.9 55.0 -67.1 -30.8 -0.4 77.2 141.3 346 70 D C H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.907 110.0 46.9 -68.1 -39.3 -1.5 80.8 141.0 347 71 D F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.895 110.4 51.5 -69.2 -37.7 1.2 81.4 138.3 348 72 D V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.932 110.3 50.8 -61.9 -42.3 0.2 78.2 136.5 349 73 D L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.880 107.8 52.4 -61.5 -40.9 -3.4 79.6 136.6 350 74 D L H <>S+ 0 0 1 -4,-2.1 5,-2.7 2,-0.2 4,-0.5 0.965 111.2 45.9 -60.1 -52.3 -2.2 82.9 135.1 351 75 D A H ><5S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.890 112.9 51.4 -56.2 -43.8 -0.5 81.2 132.2 352 76 D E H 3<5S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.859 114.4 41.6 -63.5 -39.7 -3.5 79.0 131.7 353 77 D K T 3<5S- 0 0 31 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.368 115.0-118.2 -88.9 3.6 -5.9 82.0 131.6 354 78 D N T < 5 + 0 0 123 -3,-0.9 2,-0.6 -4,-0.5 -3,-0.2 0.924 58.6 155.6 58.9 47.0 -3.4 83.9 129.5 355 79 D I < - 0 0 3 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.940 42.4-124.0-107.3 121.0 -2.9 86.6 132.1 356 80 D A >> - 0 0 41 -2,-0.6 3,-0.9 1,-0.1 4,-0.9 -0.367 9.0-132.4 -64.9 140.4 0.5 88.4 131.8 357 81 D L H >> S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 3,-0.7 0.866 105.0 62.5 -60.7 -38.0 2.6 88.5 134.9 358 82 D E H 3> S+ 0 0 107 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.777 94.8 61.2 -61.5 -26.1 3.3 92.2 134.5 359 83 D D H <> S+ 0 0 59 -3,-0.9 4,-1.7 2,-0.2 -1,-0.3 0.907 108.3 44.1 -64.3 -40.1 -0.5 92.8 135.0 360 84 D V H