==== 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 TRANSFERASE 27-JUL-05 2AH6 . COMPND 2 MOLECULE: BH1595, UNKNOWN CONSERVED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 475 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 2.3 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 . 1 0.2 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 . 17 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 1 0 0 0 0 1 0 0 0 0 0 3 0 0 1 1 2 1 3 1 2 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 . 1 3 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 . 3 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 24 A D > 0 0 99 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 24.3 37.0 88.6 31.9 2 25 A T H > + 0 0 24 1,-0.2 4,-2.6 2,-0.2 110,-0.2 0.881 360.0 49.8 -58.1 -39.9 35.5 85.1 32.2 3 26 A R H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.933 112.2 46.6 -65.9 -45.0 32.1 86.3 33.4 4 27 A V H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 113.0 50.2 -66.1 -38.4 31.7 88.8 30.7 5 28 A V H X S+ 0 0 6 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.940 109.3 52.3 -64.6 -41.3 32.8 86.3 28.1 6 29 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.939 114.2 40.3 -62.2 -49.2 30.3 83.8 29.4 7 30 A Y H X S+ 0 0 87 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.854 113.6 54.5 -74.8 -23.5 27.3 86.1 29.2 8 31 A G H X S+ 0 0 7 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.904 109.5 49.0 -69.6 -34.7 28.5 87.5 25.9 9 32 A T H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 96,-0.2 0.837 107.3 52.7 -76.1 -31.5 28.6 84.0 24.5 10 33 A T H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.912 111.2 49.3 -63.7 -35.7 25.1 83.2 25.8 11 34 A D H X S+ 0 0 50 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.924 108.9 51.7 -68.9 -42.2 24.0 86.3 24.0 12 35 A E H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.939 110.4 48.7 -57.6 -48.4 25.8 85.1 20.8 13 36 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.922 107.6 55.4 -55.4 -50.2 24.0 81.8 21.1 14 37 A N H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.905 106.6 51.3 -49.5 -42.9 20.7 83.7 21.5 15 38 A S H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 404,-0.2 0.919 108.9 50.0 -64.8 -43.3 21.4 85.5 18.2 16 39 A F H X S+ 0 0 15 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.878 107.6 53.9 -63.3 -34.3 22.1 82.3 16.4 17 40 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.938 105.3 55.1 -60.2 -40.7 18.8 80.9 17.8 18 41 A G H X S+ 0 0 2 -4,-2.2 4,-1.1 1,-0.2 392,-0.4 0.889 109.0 47.0 -60.7 -41.7 17.2 84.0 16.3 19 42 A S H X S+ 0 0 22 -4,-1.9 4,-0.5 396,-0.2 3,-0.3 0.914 109.8 52.7 -66.5 -41.6 18.6 83.1 12.9 20 43 A A H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 4,-0.4 0.905 102.6 59.3 -62.6 -41.6 17.6 79.4 13.1 21 44 A I H >< S+ 0 0 6 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.921 99.6 57.2 -53.6 -42.2 13.9 80.4 13.9 22 45 A T H 3< S+ 0 0 34 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.659 99.4 60.3 -67.0 -12.8 13.8 82.3 10.6 23 46 A Q T << S+ 0 0 43 -3,-1.8 2,-0.6 -4,-0.5 -1,-0.3 0.519 90.0 89.5 -84.9 -9.0 14.7 79.1 8.7 24 47 A L S < S- 0 0 6 -3,-1.9 2,-0.0 -4,-0.4 -1,-0.0 -0.824 79.3-122.8-105.7 120.1 11.6 77.3 10.0 25 48 A D > - 0 0 83 -2,-0.6 4,-2.2 1,-0.1 8,-0.2 -0.326 22.2-130.6 -56.6 133.9 8.2 77.2 8.3 26 49 A E T 4 S+ 0 0 141 1,-0.2 -1,-0.1 2,-0.2 7,-0.1 0.749 102.2 36.7 -64.2 -30.3 5.5 78.5 10.7 27 50 A N T >4 S+ 0 0 143 2,-0.2 3,-1.4 1,-0.1 4,-0.3 0.948 117.2 47.5 -87.1 -51.7 3.1 75.6 10.1 28 51 A T T 34 S+ 0 0 62 1,-0.3 -2,-0.2 2,-0.1 3,-0.2 0.799 127.4 28.6 -57.0 -34.5 5.5 72.7 9.8 29 52 A F T 3X S+ 0 0 2 -4,-2.2 4,-3.4 1,-0.1 5,-0.3 -0.063 73.0 129.6-125.5 33.3 7.4 73.8 12.9 30 53 A A H <> S+ 0 0 60 -3,-1.4 4,-2.0 1,-0.2 5,-0.2 0.880 80.5 48.9 -55.6 -41.4 4.9 75.6 15.1 31 54 A D H > S+ 0 0 60 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.974 115.5 40.7 -63.1 -52.3 6.0 73.5 18.1 32 55 A I H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.914 113.3 54.0 -70.8 -38.5 9.7 73.9 17.6 33 56 A R H X S+ 0 0 43 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.926 108.9 49.1 -59.0 -47.3 9.4 77.6 16.8 34 57 A G H X S+ 0 0 41 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.915 112.1 49.7 -57.0 -40.7 7.5 78.3 20.0 35 58 A E H X S+ 0 0 16 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.892 108.5 52.0 -66.3 -39.3 10.1 76.4 21.9 36 59 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.918 108.0 50.4 -68.2 -39.5 12.9 78.3 20.4 37 60 A F H X S+ 0 0 62 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.911 111.7 50.3 -59.3 -42.1 11.2 81.7 21.3 38 61 A K H X S+ 0 0 66 -4,-2.1 4,-2.1 1,-0.2 3,-0.2 0.917 107.9 52.5 -57.7 -48.8 10.9 80.3 24.9 39 62 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.869 104.0 57.2 -59.5 -37.7 14.6 79.3 24.9 40 63 A Q H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.902 107.1 47.9 -63.5 -39.4 15.5 82.8 23.8 41 64 A H H X S+ 0 0 34 -4,-1.5 4,-2.2 -3,-0.2 -1,-0.2 0.920 112.8 49.5 -61.2 -43.5 13.8 84.2 26.9 42 65 A E H X S+ 0 0 16 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.881 108.8 51.2 -64.4 -38.0 15.6 81.6 29.0 43 66 A L H X S+ 0 0 3 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.851 107.7 53.2 -67.9 -34.9 18.9 82.5 27.5 44 67 A F H X S+ 0 0 75 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.935 111.0 47.6 -62.7 -44.2 18.3 86.2 28.3 45 68 A D H X S+ 0 0 28 -4,-2.2 4,-2.3 1,-0.2 12,-0.3 0.920 109.9 52.4 -61.5 -43.8 17.6 85.0 31.9 46 69 A C H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.901 106.4 53.5 -59.8 -41.6 20.7 82.9 32.0 47 70 A G H X S+ 0 0 13 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.947 108.9 48.9 -60.0 -44.2 22.8 85.9 30.8 48 71 A G H X S+ 0 0 37 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.897 110.1 51.7 -60.3 -41.9 21.5 88.0 33.7 49 72 A D H >< S+ 0 0 2 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.902 109.1 50.8 -62.7 -37.2 22.2 85.2 36.1 50 73 A L H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.817 106.1 55.3 -70.1 -30.4 25.8 85.0 34.8 51 74 A A H 3< S+ 0 0 50 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.2 0.681 85.1 101.3 -79.8 -16.6 26.3 88.8 35.2 52 75 A X << 0 0 77 -4,-0.9 4,-0.0 -3,-0.6 -3,-0.0 -0.538 360.0 360.0 -72.7 132.4 25.3 88.6 38.9 53 76 A L 0 0 126 -2,-0.3 -1,-0.1 65,-0.0 -2,-0.1 -0.260 360.0 360.0 -56.1 360.0 28.3 88.7 41.2 54 ! 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 55 83 A P 0 0 157 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.8 17.5 85.5 43.3 56 84 A Y - 0 0 80 1,-0.1 -10,-0.1 2,-0.1 -11,-0.0 -0.400 360.0-151.3 -67.1 145.9 18.6 83.7 40.1 57 85 A K S S+ 0 0 82 -12,-0.3 2,-0.5 -15,-0.1 -1,-0.1 0.765 72.8 84.0 -86.7 -33.8 16.0 83.7 37.4 58 86 A A - 0 0 4 -13,-0.3 2,-0.3 -12,-0.1 63,-0.2 -0.671 65.3-175.6 -80.7 123.9 16.9 80.5 35.6 59 87 A K >> - 0 0 124 -2,-0.5 3,-2.1 62,-0.1 4,-0.6 -0.797 40.4-100.2-122.7 159.2 15.3 77.6 37.5 60 88 A Q H >> S+ 0 0 70 1,-0.3 4,-2.2 -2,-0.3 3,-1.3 0.794 111.0 72.3 -48.8 -36.3 15.2 73.8 37.2 61 89 A E H 3> S+ 0 0 136 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.798 90.6 57.7 -54.4 -29.9 11.9 73.7 35.3 62 90 A I H <> S+ 0 0 17 -3,-2.1 4,-1.5 2,-0.2 -1,-0.3 0.822 108.0 46.8 -72.6 -29.2 13.6 75.1 32.2 63 91 A V H S- 0 0 18 -2,-0.5 4,-2.8 48,-0.2 5,-0.2 -0.431 88.4-114.4 -74.6 157.0 18.4 71.2 5.3 90 118 A E H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.909 119.6 52.3 -57.0 -38.5 19.4 74.8 5.7 91 119 A A H > S+ 0 0 6 -68,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.952 110.4 45.7 -65.8 -46.0 17.1 74.9 8.8 92 120 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.927 110.9 54.8 -61.5 -42.9 18.7 71.7 10.4 93 121 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 84,-0.2 0.929 105.4 52.1 -56.6 -41.1 22.1 73.2 9.6 94 122 A S H X S+ 0 0 15 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.825 109.0 50.4 -66.0 -33.6 21.2 76.4 11.4 95 123 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.856 106.1 54.6 -75.6 -34.8 20.2 74.3 14.5 96 124 A H H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.862 106.1 53.7 -62.8 -34.4 23.5 72.4 14.4 97 125 A V H X S+ 0 0 4 -4,-1.9 4,-2.4 76,-0.2 5,-0.2 0.947 106.9 50.7 -60.6 -47.6 25.2 75.8 14.5 98 126 A C H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.917 108.1 54.9 -56.1 -41.8 23.2 76.5 17.6 99 127 A R H X S+ 0 0 52 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.924 110.3 43.2 -56.3 -49.9 24.4 73.2 19.0 100 128 A T H X S+ 0 0 7 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.845 113.8 50.4 -71.1 -33.8 28.0 74.0 18.6 101 129 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.883 106.5 55.7 -72.7 -32.9 27.7 77.5 19.9 102 130 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.906 106.9 51.3 -58.1 -41.6 25.8 76.3 23.0 103 131 A R H X S+ 0 0 70 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.871 108.2 51.2 -66.5 -34.7 28.8 74.0 23.6 104 132 A R H X S+ 0 0 3 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.941 111.1 47.6 -64.1 -47.5 31.1 77.1 23.3 105 133 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.929 110.0 54.4 -57.4 -45.6 29.0 79.0 25.8 106 134 A E H X S+ 0 0 28 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.883 102.5 56.1 -54.4 -46.1 29.1 75.9 28.1 107 135 A R H X S+ 0 0 81 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.912 109.3 46.8 -57.9 -39.6 32.9 75.8 28.0 108 136 A Y H X S+ 0 0 57 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.845 110.5 51.3 -70.8 -36.0 33.0 79.3 29.3 109 137 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.878 108.6 52.3 -70.5 -35.0 30.5 78.7 32.0 110 138 A V H X S+ 0 0 12 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.927 110.8 47.7 -57.7 -46.4 32.5 75.7 33.2 111 139 A R H X S+ 0 0 27 -4,-1.8 4,-0.9 1,-0.2 3,-0.4 0.923 111.4 51.0 -62.3 -43.5 35.6 77.9 33.3 112 140 A L H >X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 3,-0.7 0.882 104.4 56.7 -60.6 -41.3 33.5 80.5 35.3 113 141 A Q H 3< S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.820 104.4 54.1 -60.8 -32.3 32.3 77.9 37.7 114 142 A Q H 3< S+ 0 0 112 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.760 113.5 42.9 -70.5 -24.5 36.0 77.1 38.5 115 143 A E H << S- 0 0 128 -4,-0.9 2,-0.3 -3,-0.7 -2,-0.2 0.765 127.2 -26.2 -95.3 -29.6 36.6 80.8 39.3 116 144 A G S < S- 0 0 33 -4,-2.2 -1,-0.2 -63,-0.0 2,-0.2 -0.929 84.8 -47.2-168.9-173.7 33.6 81.7 41.3 117 145 A E + 0 0 73 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.467 51.7 173.0 -77.7 138.1 29.9 81.0 42.1 118 146 A I - 0 0 16 -2,-0.2 -68,-0.1 -5,-0.1 3,-0.1 -0.844 44.8 -94.8-128.2 170.9 27.5 80.5 39.3 119 147 A N >> - 0 0 9 -2,-0.3 3,-1.3 1,-0.2 4,-0.9 -0.841 33.8-151.1 -81.1 111.5 23.9 79.4 39.1 120 148 A P H 3> S+ 0 0 73 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.781 91.3 69.0 -60.4 -25.5 24.4 75.7 38.4 121 149 A I H 3> S+ 0 0 21 -63,-0.2 4,-2.7 1,-0.2 5,-0.2 0.868 93.9 56.6 -56.9 -36.6 21.1 75.7 36.5 122 150 A V H <> S+ 0 0 0 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.920 109.1 45.4 -63.3 -44.4 22.7 77.9 33.7 123 151 A L H X S+ 0 0 22 -4,-0.9 4,-2.4 1,-0.2 -2,-0.2 0.957 114.6 47.2 -64.0 -47.9 25.4 75.3 33.1 124 152 A K H X S+ 0 0 69 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.899 111.5 52.0 -60.7 -40.7 23.0 72.4 33.2 125 153 A Y H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.941 109.8 47.9 -63.6 -44.4 20.7 74.2 30.8 126 154 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.913 111.6 51.9 -63.0 -40.7 23.5 75.0 28.3 127 155 A N H X S+ 0 0 53 -4,-2.4 4,-1.0 1,-0.2 3,-0.5 0.958 112.4 44.0 -59.8 -50.5 24.5 71.3 28.5 128 156 A R H X S+ 0 0 58 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.855 105.0 65.5 -63.3 -33.6 21.0 70.1 27.8 129 157 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.869 95.3 55.8 -59.7 -36.3 20.5 72.7 25.0 130 158 A S H X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.5 -1,-0.2 0.931 110.0 46.1 -65.8 -36.8 23.2 71.1 22.8 131 159 A D H X S+ 0 0 73 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.875 112.9 51.8 -64.5 -42.6 21.2 67.7 23.1 132 160 A Y H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.954 109.8 47.0 -58.3 -49.7 18.0 69.7 22.3 133 161 A F H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.878 111.7 51.7 -63.1 -38.6 19.4 71.3 19.2 134 162 A F H X S+ 0 0 55 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.964 113.2 45.0 -62.0 -47.3 20.8 68.0 18.0 135 163 A A H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.913 114.5 47.0 -68.4 -41.7 17.4 66.3 18.4 136 164 A V H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 -1,-0.2 0.903 107.5 57.3 -67.1 -35.6 15.4 69.1 16.8 137 165 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.925 108.3 46.9 -59.6 -42.8 17.8 69.3 13.9 138 166 A R H X S+ 0 0 16 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.910 111.9 50.2 -66.2 -41.3 17.1 65.6 13.2 139 167 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.892 108.0 54.7 -61.0 -37.1 13.3 66.2 13.5 140 168 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.945 109.7 45.1 -65.0 -46.9 13.6 69.1 11.1 141 169 A N H <>S+ 0 0 1 -4,-2.3 5,-2.4 -5,-0.2 4,-0.4 0.939 113.8 51.8 -62.0 -41.2 15.3 67.0 8.4 142 170 A S H ><5S+ 0 0 46 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.933 109.9 46.4 -56.3 -51.3 12.7 64.3 9.1 143 171 A R H 3<5S+ 0 0 61 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.844 114.0 49.5 -64.9 -31.8 9.7 66.5 8.7 144 172 A L T 3<5S- 0 0 71 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.438 111.0-124.7 -83.4 -1.8 11.2 68.0 5.5 145 173 A Q T < 5 + 0 0 182 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.902 67.3 129.5 53.0 48.4 11.9 64.5 4.2 146 174 A V < - 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0 0 52 -3,-2.4 67,-0.1 67,-0.2 4,-0.1 -0.460 43.2-165.7 -69.5 128.0 48.2 59.3 24.8 214 79 B K + 0 0 199 -2,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.716 67.6 70.3 -87.6 -23.0 51.6 57.9 25.7 215 80 B E S S- 0 0 139 1,-0.2 2,-0.1 0, 0.0 -2,-0.0 -0.205 106.6 -65.5 -76.1 177.4 51.5 54.9 23.3 216 81 B D - 0 0 158 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.409 58.1-127.4 -58.7 140.8 51.6 55.1 19.5 217 82 B R - 0 0 55 -3,-0.1 2,-2.1 -2,-0.1 -1,-0.1 -0.860 5.6-145.4-103.9 124.9 48.6 56.9 18.1 218 83 B P - 0 0 100 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.463 33.4-169.2 -82.0 69.8 46.4 55.5 15.4 219 84 B Y - 0 0 52 -2,-2.1 -15,-0.1 1,-0.1 -16,-0.0 -0.306 21.4-161.7 -58.0 141.0 45.7 58.9 13.9 220 85 B K + 0 0 121 -17,-0.3 2,-0.5 -20,-0.1 -1,-0.1 0.731 69.2 85.5 -92.4 -28.2 43.0 59.1 11.3 221 86 B A - 0 0 3 -18,-0.3 2,-0.3 -17,-0.1 63,-0.2 -0.665 63.7-178.2 -80.7 119.7 44.1 62.5 9.7 222 87 B K >> - 0 0 136 -2,-0.5 3,-1.7 62,-0.1 4,-0.6 -0.815 41.6-105.2-124.5 155.5 46.8 61.8 7.1 223 88 B Q H >> S+ 0 0 65 -2,-0.3 4,-2.3 1,-0.3 3,-1.1 0.799 109.5 71.9 -46.5 -39.4 48.9 63.8 4.8 224 89 B E H 3> S+ 0 0 158 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.843 92.7 55.8 -48.5 -39.4 46.8 62.9 1.7 225 90 B I H <> S+ 0 0 21 -3,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.823 108.3 47.3 -68.6 -30.1 43.9 65.1 2.9 226 91 B V H S- 0 0 18 -2,-0.6 4,-2.7 48,-0.2 5,-0.2 -0.413 87.8-114.4 -72.2 158.2 26.7 85.9 -3.1 253 118 B E H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.915 119.4 51.9 -58.6 -40.6 25.0 84.4 0.0 254 119 B A H > S+ 0 0 6 -73,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.940 111.2 45.2 -60.6 -49.7 26.9 81.2 -0.8 255 120 B A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.929 110.5 54.8 -62.4 -36.8 30.2 82.9 -1.1 256 121 B A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 80,-0.2 0.922 106.0 52.4 -61.4 -41.8 29.6 84.8 2.1 257 122 B S H X S+ 0 0 14 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.845 109.2 49.7 -67.9 -26.5 28.9 81.5 4.0 258 123 B L H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.832 106.1 54.7 -82.5 -31.9 32.2 80.1 2.8 259 124 B H H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.851 105.8 54.0 -63.4 -37.8 34.1 83.2 3.9 260 125 B V H X S+ 0 0 4 -4,-2.0 4,-2.5 72,-0.2 5,-0.3 0.938 107.0 51.0 -58.7 -46.4 32.5 82.6 7.3 261 126 B C H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.909 107.1 55.9 -54.7 -42.9 34.0 79.0 7.1 262 127 B R H X S+ 0 0 26 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.947 111.5 40.0 -56.7 -49.6 37.4 80.7 6.3 263 128 B T H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.877 115.2 51.7 -71.7 -36.0 37.4 82.8 9.4 264 129 B I H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.829 107.7 54.0 -66.5 -36.9 36.0 80.1 11.7 265 130 B A H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 -2,-0.2 0.926 106.6 51.4 -63.0 -41.1 38.7 77.7 10.3 266 131 B R H X S+ 0 0 86 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.907 108.9 51.4 -63.8 -38.1 41.4 80.2 11.3 267 132 B R H X S+ 0 0 6 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.933 109.8 48.7 -61.2 -44.7 39.8 80.3 14.8 268 133 B A H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.913 108.6 54.4 -62.3 -42.8 40.0 76.5 15.0 269 134 B E H X S+ 0 0 35 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.926 108.0 49.3 -55.9 -44.2 43.6 76.7 13.9 270 135 B R H X S+ 0 0 25 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.892 108.6 53.3 -62.3 -39.5 44.4 79.1 16.7 271 136 B Y H X S+ 0 0 34 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.875 109.2 50.1 -56.7 -43.4 42.6 76.8 19.2 272 137 B V H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.919 106.6 53.3 -70.2 -40.1 44.9 73.9 18.0 273 138 B V H >< S+ 0 0 67 -4,-2.4 3,-0.9 1,-0.2 4,-0.3 0.932 108.7 50.5 -59.1 -44.8 48.0 75.9 18.4 274 139 B R H >< S+ 0 0 90 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.863 103.0 60.9 -63.9 -29.7 47.0 76.6 22.0 275 140 B L H >X S+ 0 0 17 -4,-1.6 3,-2.2 1,-0.3 4,-0.8 0.776 85.7 76.0 -67.8 -21.4 46.4 72.8 22.6 276 141 B Q T << S+ 0 0 97 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.721 86.5 62.4 -60.4 -19.2 50.0 72.2 21.8 277 142 B Q T <4 S+ 0 0 131 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.670 107.5 43.7 -75.4 -17.9 50.7 73.5 25.3 278 143 B E T <4 S- 0 0 92 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.503 126.5 -32.3-106.1 -9.8 48.7 70.6 26.8 279 144 B G S < S- 0 0 24 -4,-0.8 2,-0.6 -3,-0.2 -1,-0.2 -0.981 80.4 -52.7 174.2-174.5 49.9 67.6 24.7 280 145 B E - 0 0 111 -69,-1.9 2,-0.4 -2,-0.3 -67,-0.2 -0.762 49.2-154.9 -93.6 123.6 51.2 66.4 21.4 281 146 B I - 0 0 4 -2,-0.6 -73,-0.1 -5,-0.1 5,-0.0 -0.813 27.4-106.8-103.0 131.7 49.0 67.3 18.4 282 147 B N >> - 0 0 6 -2,-0.4 3,-1.5 1,-0.2 4,-1.0 -0.406 29.7-142.7 -51.8 115.6 48.9 65.4 15.2 283 148 B P H 3> S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.790 96.7 65.1 -58.2 -27.9 50.8 67.8 13.0 284 149 B I H 3> S+ 0 0 23 -63,-0.2 4,-2.7 1,-0.2 5,-0.2 0.865 96.2 57.1 -61.5 -36.5 48.5 66.9 10.1 285 150 B V H <> S+ 0 0 0 -3,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.952 108.4 45.1 -61.7 -44.0 45.6 68.4 11.9 286 151 B L H X S+ 0 0 36 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.929 114.9 47.9 -64.6 -46.1 47.3 71.8 12.2 287 152 B K H X S+ 0 0 73 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.902 112.2 51.2 -61.0 -37.6 48.5 71.7 8.6 288 153 B Y H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.944 110.8 45.5 -65.8 -51.2 45.0 70.7 7.5 289 154 B L H X S+ 0 0 0 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.882 111.6 54.5 -60.5 -39.9 43.2 73.5 9.4 290 155 B N H X S+ 0 0 58 -4,-2.3 4,-0.8 1,-0.2 3,-0.5 0.935 112.3 42.3 -56.1 -49.7 45.9 76.0 8.0 291 156 B R H X S+ 0 0 55 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.768 102.4 70.3 -73.0 -27.4 45.2 75.0 4.4 292 157 B L H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.883 93.4 54.8 -59.4 -38.2 41.4 74.9 5.0 293 158 B S H X S+ 0 0 2 -4,-1.2 4,-2.0 -3,-0.5 -1,-0.2 0.927 110.2 47.6 -62.3 -37.9 41.2 78.7 5.3 294 159 B D H X S+ 0 0 79 -4,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.896 111.0 51.7 -67.2 -38.3 42.9 79.0 1.9 295 160 B Y H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.939 110.1 48.0 -61.3 -49.0 40.5 76.4 0.5 296 161 B F H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.894 111.4 50.8 -63.9 -35.2 37.5 78.3 1.7 297 162 B F H X S+ 0 0 56 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.954 112.7 46.7 -64.3 -47.7 38.9 81.6 0.3 298 163 B A H X S+ 0 0 7 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.919 114.5 44.9 -64.4 -44.7 39.4 79.9 -3.1 299 164 B V H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.868 106.9 59.7 -68.8 -34.0 36.0 78.2 -3.3 300 165 B A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.937 107.9 46.3 -58.3 -42.9 34.3 81.4 -2.2 301 166 B R H X S+ 0 0 17 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.887 112.4 49.4 -67.0 -39.0 35.7 83.2 -5.2 302 167 B V H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.891 108.0 55.3 -66.7 -36.5 34.8 80.3 -7.5 303 168 B V H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.962 109.8 44.8 -62.1 -48.0 31.3 80.4 -6.1 304 169 B N H <>S+ 0 0 1 -4,-2.3 5,-2.6 -5,-0.2 4,-0.4 0.943 113.3 52.6 -59.3 -43.5 30.9 84.1 -7.0 305 170 B S H ><5S+ 0 0 42 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.935 110.0 46.0 -58.6 -50.0 32.4 83.4 -10.4 306 171 B R H 3<5S+ 0 0 57 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.822 112.5 51.2 -64.6 -29.4 30.0 80.6 -11.3 307 172 B L T 3<5S- 0 0 74 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.426 113.7-122.6 -83.6 -2.5 27.1 82.7 -10.0 308 173 B Q T < 5 + 0 0 179 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.882 68.9 129.0 58.2 43.4 28.3 85.6 -12.3 309 174 B V < - 0 0 54 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.971 59.6-111.8-123.8 146.1 28.6 88.0 -9.4 310 175 B P - 0 0 105 0, 0.0 2,-0.1 0, 0.0 -58,-0.1 -0.350 28.0-112.8 -68.6 147.7 31.7 90.0 -8.6 311 176 B D - 0 0 25 -60,-0.1 2,-0.5 1,-0.1 -60,-0.1 -0.489 39.1-107.0 -67.0 156.7 33.8 89.5 -5.5 312 177 B V E -B 248 0B 25 -64,-0.6 -64,-3.2 -62,-0.3 2,-0.3 -0.788 43.9-156.4 -90.4 123.2 33.6 92.4 -3.1 313 178 B E E -B 247 0B 91 -2,-0.5 2,-0.6 -66,-0.3 -66,-0.2 -0.790 21.8-109.6-111.8 150.1 36.8 94.3 -3.3 314 179 B Y 0 0 38 -68,-2.8 -68,-0.3 -2,-0.3 44,-0.0 -0.675 360.0 360.0 -74.6 113.4 38.6 96.7 -0.9 315 180 B E 0 0 110 -2,-0.6 -1,-0.2 -70,-0.1 0, 0.0 -0.112 360.0 360.0-161.2 360.0 38.3 100.1 -2.6 316 !* 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 0.0 317 23 C D 0 0 165 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.4 50.9 84.7 23.7 318 24 C D > + 0 0 44 1,-0.1 4,-2.5 2,-0.1 5,-0.3 0.168 360.0 119.0-127.5 17.6 48.4 85.1 20.9 319 25 C T H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 115,-0.2 0.878 79.3 52.2 -58.4 -36.6 46.0 87.9 21.9 320 26 C R H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.946 111.7 44.8 -64.0 -47.3 47.0 90.1 19.0 321 27 C V H > S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 113.2 50.7 -65.3 -40.2 46.4 87.4 16.4 322 28 C V H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.909 109.0 53.8 -63.8 -41.0 43.1 86.4 18.0 323 29 C A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.960 113.4 39.0 -59.7 -51.7 42.0 90.1 18.0 324 30 C Y H X S+ 0 0 73 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.859 114.3 56.5 -72.8 -26.8 42.6 90.6 14.3 325 31 C G H X S+ 0 0 6 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.897 108.1 47.9 -61.8 -39.5 41.3 87.2 13.6 326 32 C T H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.863 108.1 52.6 -76.1 -33.8 38.0 88.1 15.3 327 33 C T H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.920 110.5 49.9 -63.8 -35.7 37.7 91.4 13.5 328 34 C D H X S+ 0 0 43 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.928 109.5 51.3 -66.4 -45.5 38.1 89.3 10.3 329 35 C E H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.948 109.7 49.1 -56.7 -50.8 35.4 86.9 11.5 330 36 C L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.945 107.7 55.2 -50.3 -48.8 33.1 89.8 12.2 331 37 C N H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.902 105.8 52.1 -55.3 -39.7 33.8 91.1 8.7 332 38 C S H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.927 109.0 49.5 -65.8 -39.8 32.7 87.7 7.3 333 39 C F H X S+ 0 0 15 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.843 107.2 54.8 -69.3 -32.1 29.4 87.9 9.2 334 40 C V H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.941 105.5 54.3 -60.7 -44.3 28.8 91.4 7.9 335 41 C G H X S+ 0 0 2 -4,-2.2 4,-1.1 1,-0.2 -84,-0.4 0.889 109.0 47.1 -53.9 -46.2 29.2 89.9 4.4 336 42 C S H >< S+ 0 0 20 -4,-1.7 3,-0.5 -80,-0.2 4,-0.5 0.923 109.7 53.9 -61.7 -45.4 26.5 87.4 5.2 337 43 C A H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 4,-0.3 0.893 102.6 57.1 -58.8 -41.2 24.2 90.1 6.6 338 44 C I H >< S+ 0 0 6 -4,-2.4 3,-1.8 1,-0.3 -1,-0.3 0.888 99.9 58.8 -56.3 -40.5 24.5 92.2 3.5 339 45 C T T << S+ 0 0 34 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.657 99.0 59.7 -69.7 -12.8 23.2 89.4 1.3 340 46 C Q T < S+ 0 0 45 -3,-1.7 2,-0.6 -4,-0.5 -1,-0.3 0.479 90.6 89.2 -84.4 -8.3 20.0 89.3 3.4 341 47 C L S < S- 0 0 3 -3,-1.8 2,-0.1 -4,-0.3 121,-0.0 -0.837 79.2-123.8-109.1 121.5 19.1 92.9 2.5 342 48 C D > - 0 0 70 -2,-0.6 4,-2.0 1,-0.1 8,-0.2 -0.369 21.3-131.5 -58.1 130.7 17.1 93.9 -0.5 343 49 C E T 4 S+ 0 0 110 1,-0.2 -1,-0.1 2,-0.2 7,-0.1 0.779 102.2 41.4 -56.9 -35.5 19.0 96.4 -2.6 344 50 C N T >4 S+ 0 0 141 2,-0.2 3,-1.0 1,-0.1 4,-0.2 0.935 115.8 45.0 -83.4 -46.7 16.2 98.8 -2.9 345 51 C T T 34 S+ 0 0 62 1,-0.3 -2,-0.2 2,-0.1 3,-0.2 0.810 128.0 28.1 -67.6 -29.3 14.7 98.8 0.6 346 52 C F T 3X S+ 0 0 2 -4,-2.0 4,-3.1 1,-0.1 5,-0.3 -0.185 71.7 129.8-128.4 36.9 18.1 99.0 2.3 347 53 C A H <> S+ 0 0 62 -3,-1.0 4,-2.0 2,-0.2 5,-0.2 0.903 81.0 49.9 -59.2 -37.5 20.4 100.8 -0.2 348 54 C D H > S+ 0 0 59 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.978 115.5 40.5 -62.5 -54.0 21.4 103.2 2.7 349 55 C I H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.893 112.9 53.8 -68.8 -38.6 22.2 100.4 5.1 350 56 C R H X S+ 0 0 38 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.926 108.6 50.7 -59.2 -44.5 23.9 98.1 2.5 351 57 C G H X S+ 0 0 40 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.918 111.4 48.6 -57.5 -44.2 26.2 101.0 1.5 352 58 C E H X S+ 0 0 16 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.873 109.0 52.5 -62.7 -41.6 27.1 101.5 5.2 353 59 C L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.911 108.5 49.5 -65.9 -41.8 27.8 97.8 5.7 354 60 C F H X S+ 0 0 66 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.912 112.1 50.2 -60.2 -41.1 30.2 97.8 2.7 355 61 C K H X S+ 0 0 68 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.942 108.3 52.4 -58.3 -47.7 31.9 100.8 4.3 356 62 C I H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.888 105.9 54.1 -56.5 -40.4 32.1 99.0 7.6 357 63 C Q H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.902 108.3 49.2 -63.8 -40.4 33.8 96.1 5.9 358 64 C H H X S+ 0 0 47 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.942 113.3 47.9 -60.3 -43.0 36.4 98.4 4.4 359 65 C E H X S+ 0 0 15 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.878 108.7 52.1 -69.4 -37.7 36.9 99.8 7.9 360 66 C L H X S+ 0 0 2 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.868 106.6 54.8 -66.6 -36.0 37.1 96.4 9.6 361 67 C F H X S+ 0 0 65 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.936 110.6 46.1 -59.4 -45.1 39.8 95.5 7.1 362 68 C D H X S+ 0 0 17 -4,-1.9 4,-2.2 1,-0.2 17,-0.3 0.899 109.7 54.0 -63.1 -42.7 41.7 98.6 8.2 363 69 C C H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.908 106.7 52.5 -57.4 -43.1 41.2 97.8 11.9 364 70 C G H X S+ 0 0 15 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.925 109.4 48.5 -60.5 -45.1 42.7 94.3 11.3 365 71 C G H X S+ 0 0 37 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.890 111.1 50.8 -59.9 -41.1 45.8 95.8 9.7 366 72 C D H >< S+ 0 0 2 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.900 109.5 50.3 -63.2 -43.6 46.1 98.3 12.6 367 73 C L H 3< S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.842 104.7 58.2 -62.9 -33.6 45.8 95.5 15.1 368 74 C A H 3< S+ 0 0 50 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.2 0.704 84.6 96.3 -72.3 -22.0 48.5 93.5 13.3 369 75 C X << - 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0 0 5 -18,-0.3 2,-0.3 -17,-0.1 63,-0.2 -0.666 66.2-176.9 -79.2 116.4 41.5 103.5 11.3 381 87 C K >> - 0 0 112 -2,-0.6 3,-2.1 62,-0.1 4,-0.5 -0.772 40.4-100.1-122.1 161.6 40.7 107.2 12.2 382 88 C Q H >> S+ 0 0 70 1,-0.3 4,-1.9 -2,-0.3 3,-1.4 0.785 110.3 71.9 -50.7 -38.0 38.2 109.0 14.5 383 89 C E H 3> S+ 0 0 149 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.783 90.2 59.5 -49.5 -33.5 35.9 109.9 11.6 384 90 C I H <> S+ 0 0 21 -3,-2.1 4,-1.4 1,-0.2 -1,-0.3 0.825 107.4 46.0 -70.4 -29.8 34.7 106.2 11.3 385 91 C V H S- 0 0 17 -2,-0.6 4,-2.5 48,-0.2 5,-0.2 -0.381 89.5-113.5 -72.3 156.5 13.3 88.9 10.0 412 118 C E H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.910 119.8 51.6 -56.6 -38.6 16.2 86.7 8.7 413 119 C A H > S+ 0 0 4 -73,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.956 109.4 46.4 -66.8 -49.7 18.0 90.0 7.9 414 120 C A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 111.5 53.9 -54.5 -42.4 17.6 91.5 11.3 415 121 C A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -396,-0.2 0.922 106.2 51.4 -60.4 -43.9 18.7 88.1 12.8 416 122 C S H X S+ 0 0 15 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.821 109.4 51.3 -63.5 -31.9 21.9 88.2 10.8 417 123 C L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.858 106.5 53.3 -74.3 -34.2 22.5 91.8 12.1 418 124 C H H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.831 105.6 54.1 -67.0 -35.3 22.1 90.7 15.7 419 125 C V H X S+ 0 0 4 -4,-1.8 4,-2.3 -404,-0.2 5,-0.2 0.946 108.1 50.0 -60.1 -46.1 24.7 88.0 15.0 420 126 C C H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.926 107.6 55.6 -57.1 -42.3 27.0 90.8 13.9 421 127 C R H X S+ 0 0 36 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.935 110.7 42.4 -53.1 -51.3 26.1 92.7 17.1 422 128 C T H X S+ 0 0 2 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.862 113.8 51.1 -70.9 -33.2 27.2 89.8 19.3 423 129 C I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.871 106.0 56.2 -73.5 -31.2 30.4 89.1 17.3 424 130 C A H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 -2,-0.2 0.920 106.8 49.9 -60.1 -44.3 31.3 92.7 17.4 425 131 C R H X S+ 0 0 37 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.874 109.1 51.8 -62.2 -38.5 31.2 92.5 21.2 426 132 C R H X S+ 0 0 9 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.941 111.0 47.4 -62.0 -45.9 33.4 89.3 21.0 427 133 C A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.946 110.5 53.8 -61.1 -45.5 35.9 91.2 18.9 428 134 C E H X S+ 0 0 34 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.902 103.5 54.8 -52.2 -46.6 35.8 94.1 21.4 429 135 C R H X S+ 0 0 18 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.897 109.0 49.0 -60.2 -43.1 36.6 91.9 24.4 430 136 C Y H X S+ 0 0 27 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.909 109.9 50.1 -66.2 -38.5 39.7 90.7 22.6 431 137 C V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.920 108.7 53.3 -64.8 -38.2 40.9 94.2 21.8 432 138 C V H X S+ 0 0 52 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.922 110.1 48.2 -58.3 -45.4 40.3 95.2 25.4 433 139 C R H X S+ 0 0 61 -4,-2.1 4,-0.7 -5,-0.2 3,-0.2 0.901 111.4 49.8 -62.8 -42.1 42.5 92.3 26.4 434 140 C L H >X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.2 3,-1.1 0.904 105.1 57.1 -61.6 -44.6 45.2 93.3 23.9 435 141 C Q H 3< S+ 0 0 90 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.821 103.3 55.1 -54.2 -34.9 45.2 96.9 25.1 436 142 C Q H 3< S+ 0 0 152 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.738 113.5 42.0 -73.2 -21.6 46.0 95.6 28.6 437 143 C E H << S- 0 0 99 -3,-1.1 2,-0.3 -4,-0.7 -2,-0.2 0.701 126.6 -34.3 -95.0 -25.9 49.0 93.8 27.1 438 144 C G S < S- 0 0 33 -4,-1.9 -1,-0.2 0, 0.0 2,-0.1 -0.960 84.0 -31.1-178.1-171.4 50.4 96.5 24.7 439 145 C E + 0 0 60 -2,-0.3 2,-0.3 -69,-0.3 -3,-0.1 -0.391 51.5 168.4 -74.6 136.2 49.8 99.3 22.3 440 146 C I - 0 0 19 -2,-0.1 -73,-0.1 -5,-0.1 3,-0.0 -0.928 45.9-100.0-132.4 165.1 46.8 99.5 20.2 441 147 C N >> - 0 0 9 -2,-0.3 3,-1.6 1,-0.2 4,-0.9 -0.791 33.2-150.7 -75.8 113.0 45.1 102.1 18.0 442 148 C P H 3> S+ 0 0 69 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.770 91.2 68.6 -64.0 -23.6 42.5 103.3 20.4 443 149 C I H 3> S+ 0 0 19 -63,-0.2 4,-2.7 1,-0.2 5,-0.2 0.875 94.0 57.7 -58.0 -35.0 40.2 104.1 17.5 444 150 C V H <> S+ 0 0 0 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 0.943 107.4 46.6 -65.5 -43.5 39.8 100.3 16.8 445 151 C L H X S+ 0 0 26 -4,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.947 113.8 47.2 -59.5 -51.2 38.5 99.7 20.3 446 152 C K H X S+ 0 0 76 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.911 111.7 52.5 -57.6 -41.5 36.0 102.7 20.1 447 153 C Y H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.933 110.5 45.4 -62.2 -49.7 34.9 101.5 16.7 448 154 C L H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.879 111.4 54.3 -61.8 -40.1 34.1 98.0 17.8 449 155 C N H X S+ 0 0 56 -4,-2.4 4,-0.8 -5,-0.2 3,-0.4 0.939 113.1 41.7 -57.7 -50.1 32.4 99.3 20.9 450 156 C R H X S+ 0 0 54 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.810 102.9 70.0 -70.1 -28.9 30.1 101.5 18.8 451 157 C L H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 5,-0.2 0.874 94.6 53.3 -58.8 -41.6 29.6 98.8 16.1 452 158 C S H X S+ 0 0 18 -4,-1.2 4,-2.2 -3,-0.4 -1,-0.2 0.921 110.9 47.7 -60.3 -41.7 27.4 96.6 18.5 453 159 C D H X S+ 0 0 83 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.891 112.7 49.8 -60.5 -42.9 25.2 99.7 19.1 454 160 C Y H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.956 110.4 48.2 -61.3 -50.4 25.1 100.3 15.4 455 161 C F H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.894 112.2 50.3 -61.0 -39.3 24.1 96.6 14.6 456 162 C F H X S+ 0 0 62 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.953 112.9 46.5 -58.2 -52.3 21.4 96.8 17.3 457 163 C A H X S+ 0 0 6 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.900 115.0 44.1 -60.7 -46.6 20.0 100.0 15.9 458 164 C V H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.865 106.8 60.4 -72.3 -30.1 19.9 98.9 12.3 459 165 C A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.926 106.8 47.3 -59.7 -42.8 18.5 95.5 13.1 460 166 C R H X S+ 0 0 20 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.890 111.6 49.9 -65.7 -39.1 15.5 97.2 14.5 461 167 C V H X S+ 0 0 0 -4,-1.5 4,-3.1 2,-0.2 5,-0.3 0.890 107.7 55.4 -65.9 -38.3 15.2 99.5 11.5 462 168 C V H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.953 109.7 44.7 -60.3 -47.6 15.4 96.4 9.3 463 169 C N H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 -2,-0.2 0.944 113.7 52.5 -58.4 -46.1 12.4 94.8 11.1 464 170 C S H ><5S+ 0 0 42 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.918 110.2 45.2 -55.0 -50.1 10.6 98.1 10.9 465 171 C R H 3<5S+ 0 0 53 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.819 112.7 51.9 -68.5 -29.6 11.0 98.6 7.1 466 172 C L T 3<5S- 0 0 69 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.374 114.3-121.8 -82.6 3.8 10.1 95.0 6.5 467 173 C Q T < 5 + 0 0 165 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.830 69.1 128.3 54.5 40.1 6.9 95.5 8.6 468 174 C V < - 0 0 56 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.945 60.5-110.9-125.1 144.4 7.7 92.8 11.1 469 175 C P - 0 0 105 0, 0.0 2,-0.2 0, 0.0 -58,-0.1 -0.347 28.7-114.6 -67.3 150.7 7.8 93.2 14.9 470 176 C D - 0 0 26 -60,-0.1 2,-0.6 1,-0.1 -60,-0.2 -0.530 39.7-106.0 -68.5 156.5 11.0 93.1 16.8 471 177 C V E -D 407 0D 22 -64,-0.6 -64,-3.2 -62,-0.4 2,-0.3 -0.789 45.2-163.6 -88.9 126.3 11.0 90.0 19.1 472 178 C E E -D 406 0D 63 -2,-0.6 2,-0.8 -66,-0.3 -66,-0.2 -0.793 29.6-110.5-113.5 151.5 10.5 91.2 22.7 473 179 C Y > - 0 0 46 -68,-2.6 3,-1.7 -2,-0.3 -68,-0.3 -0.732 57.8-108.0 -78.1 115.7 11.0 89.7 26.0 474 180 C E T 3 S- 0 0 115 -2,-0.8 3,-0.1 1,-0.3 -1,-0.1 -0.125 88.2 -5.2 -60.5 136.4 7.3 89.3 27.0 475 181 C R T 3 S+ 0 0 91 1,-0.2 -1,-0.3 -71,-0.0 -2,-0.0 0.422 99.9 132.0 60.8 2.2 5.9 91.6 29.6 476 182 C S < - 0 0 17 -3,-1.7 2,-0.3 -71,-0.1 -1,-0.2 -0.167 43.0-152.1 -69.1 171.9 9.4 93.1 30.3 477 183 C A 0 0 71 -73,-0.1 -73,-0.2 -3,-0.1 -74,-0.1 -0.969 360.0 360.0-150.4 139.3 10.0 96.8 30.5 478 184 C I 0 0 115 -75,-1.4 -73,-0.0 -2,-0.3 -74,-0.0 0.050 360.0 360.0 -54.5 360.0 13.1 98.8 29.8