==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT, OXYGEN STORAGE 15-MAY-11 3S1J . COMPND 2 MOLECULE: HEMOGLOBIN-LIKE FLAVOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLACIDIPHILUM INFERNORUM; . AUTHOR A.H.TEH,J.A.SAITO,A.BAHARUDDIN,J.R.TUCKERMAN,J.S.NEWHOUSE,M. . 393 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 80.7 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 . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0 0 0 0 0 2 4 3 0 6 0 3 0 0 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 2 A I 0 0 60 0, 0.0 2,-0.0 0, 0.0 116,-0.0 0.000 360.0 360.0 360.0 106.1 11.3 36.4 19.3 2 3 A D > - 0 0 83 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.214 360.0 -96.9 -80.1 175.2 8.1 36.6 21.2 3 4 A Q H > S+ 0 0 138 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.808 124.1 56.1 -65.4 -29.1 5.1 34.3 20.8 4 5 A K H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 109.3 45.9 -68.2 -42.0 3.4 36.8 18.4 5 6 A E H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.919 109.8 53.7 -67.9 -43.0 6.5 36.8 16.2 6 7 A K H X S+ 0 0 33 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.866 109.1 50.7 -58.0 -37.9 6.7 33.0 16.2 7 8 A E H X S+ 0 0 85 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.927 107.0 52.0 -65.6 -46.6 3.1 32.8 15.1 8 9 A L H X S+ 0 0 20 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.869 108.7 52.5 -59.0 -37.8 3.6 35.3 12.2 9 10 A I H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.942 111.5 44.6 -63.3 -48.5 6.6 33.1 11.0 10 11 A K H X S+ 0 0 71 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.897 115.9 47.9 -63.3 -41.0 4.5 29.9 11.0 11 12 A E H < S+ 0 0 106 -4,-2.6 3,-0.5 1,-0.2 4,-0.4 0.903 113.3 45.7 -67.4 -45.1 1.5 31.6 9.3 12 13 A S H >X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 3,-1.3 0.827 104.1 63.6 -70.9 -28.6 3.6 33.3 6.6 13 14 A W H 3X S+ 0 0 29 -4,-2.0 4,-3.0 1,-0.3 -1,-0.2 0.817 92.5 64.2 -65.4 -26.9 5.5 30.1 5.9 14 15 A K H 3< S+ 0 0 151 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.762 110.6 38.1 -66.5 -21.7 2.2 28.6 4.8 15 16 A R H <4 S+ 0 0 143 -3,-1.3 4,-0.5 -4,-0.4 -2,-0.2 0.749 118.7 48.3 -95.0 -33.5 2.2 31.1 2.0 16 17 A I H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.1 7,-0.2 0.936 103.0 60.9 -70.7 -47.6 5.9 31.0 1.3 17 18 A E G >< S+ 0 0 75 -4,-3.0 3,-1.6 1,-0.3 4,-0.3 0.856 102.3 47.8 -55.6 -46.8 6.3 27.2 1.2 18 19 A P G 3 S+ 0 0 85 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.733 121.3 40.7 -66.4 -20.3 4.0 26.5 -1.8 19 20 A N G <> S+ 0 0 48 -3,-1.2 4,-2.6 -4,-0.5 5,-0.2 0.157 83.3 114.7-104.4 13.8 5.8 29.3 -3.6 20 21 A K H <> S+ 0 0 70 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 0.829 70.3 52.9 -65.6 -34.7 9.2 28.4 -2.4 21 22 A N H > S+ 0 0 54 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.945 115.4 40.5 -66.4 -46.2 10.8 27.4 -5.7 22 23 A E H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.906 114.4 51.9 -68.5 -41.7 9.8 30.6 -7.4 23 24 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 -7,-0.2 -2,-0.2 0.914 110.2 49.4 -61.9 -42.0 10.7 32.8 -4.4 24 25 A G H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.930 113.7 45.4 -63.4 -44.6 14.2 31.3 -4.1 25 26 A L H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.882 111.0 52.2 -68.6 -38.6 14.9 31.8 -7.8 26 27 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.884 105.2 58.3 -59.3 -40.9 13.5 35.4 -7.7 27 28 A F H X S+ 0 0 4 -4,-2.1 4,-3.1 -5,-0.2 -2,-0.2 0.931 106.0 47.0 -57.3 -48.3 15.8 36.0 -4.8 28 29 A Y H X S+ 0 0 3 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.908 112.5 49.5 -61.4 -42.5 18.9 35.1 -6.9 29 30 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.942 115.9 43.3 -59.6 -47.6 17.8 37.2 -9.8 30 31 A N H X S+ 0 0 27 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.900 113.7 51.1 -64.9 -42.2 17.2 40.2 -7.5 31 32 A L H X S+ 0 0 2 -4,-3.1 4,-3.1 -5,-0.2 7,-0.2 0.934 110.1 48.4 -61.8 -47.5 20.4 39.6 -5.5 32 33 A F H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.787 115.2 45.7 -69.1 -26.0 22.6 39.4 -8.7 33 34 A K H < S+ 0 0 66 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.886 117.3 42.7 -78.1 -42.0 20.9 42.6 -10.0 34 35 A E H < S+ 0 0 122 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.899 130.6 24.2 -71.4 -41.3 21.2 44.5 -6.7 35 36 A E >< + 0 0 53 -4,-3.1 3,-2.0 -5,-0.2 4,-0.5 -0.664 67.5 178.1-129.5 76.3 24.7 43.4 -5.9 36 37 A P T 3 S+ 0 0 55 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.687 76.6 64.8 -54.4 -22.0 26.5 42.5 -9.1 37 38 A T T > S+ 0 0 101 1,-0.2 3,-0.6 2,-0.1 4,-0.1 0.753 92.6 58.7 -74.9 -26.9 29.7 41.7 -7.2 38 39 A V G X S+ 0 0 9 -3,-2.0 3,-2.0 1,-0.2 4,-0.5 0.676 82.1 80.5 -81.4 -17.3 28.4 38.7 -5.2 39 40 A S G > S+ 0 0 2 -4,-0.5 3,-1.2 -3,-0.4 -1,-0.2 0.793 80.9 68.4 -62.6 -26.1 27.3 36.4 -8.1 40 41 A V G < S+ 0 0 91 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.743 92.3 61.9 -62.7 -20.2 30.9 35.3 -8.6 41 42 A L G < S+ 0 0 49 -3,-2.0 2,-0.9 -4,-0.1 -1,-0.2 0.733 86.4 80.4 -78.1 -22.0 30.7 33.5 -5.2 42 43 A F < + 0 0 45 -3,-1.2 -1,-0.1 -4,-0.5 4,-0.1 -0.762 49.2 158.9 -93.7 107.6 27.9 31.2 -6.4 43 44 A Q + 0 0 159 -2,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.413 48.5 73.8-114.8 -1.6 29.6 28.5 -8.4 44 45 A N S S- 0 0 110 1,-0.1 5,-0.1 2,-0.0 0, 0.0 -0.648 102.0 -67.1-105.4 167.1 27.0 25.7 -8.3 45 46 A P > - 0 0 68 0, 0.0 4,-2.3 0, 0.0 3,-0.2 -0.298 40.5-139.0 -55.8 134.9 23.7 25.5 -10.4 46 47 A I H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.854 101.3 60.5 -67.0 -33.8 21.4 28.2 -9.1 47 48 A S H > S+ 0 0 9 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.923 110.1 41.6 -57.8 -43.1 18.4 25.8 -9.3 48 49 A S H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.908 113.2 53.5 -72.1 -40.7 20.1 23.5 -6.9 49 50 A Q H X S+ 0 0 50 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.904 105.7 53.9 -59.8 -43.0 21.3 26.4 -4.7 50 51 A S H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.901 106.5 51.6 -60.1 -43.6 17.7 27.8 -4.4 51 52 A R H X S+ 0 0 130 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.888 110.4 49.8 -60.5 -40.2 16.4 24.4 -3.2 52 53 A K H X S+ 0 0 100 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.930 110.8 48.1 -65.0 -47.5 19.1 24.3 -0.5 53 54 A L H X S+ 0 0 38 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.940 113.5 47.0 -57.0 -49.2 18.4 27.9 0.8 54 55 A M H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.852 107.8 57.1 -68.3 -31.8 14.6 27.3 0.9 55 56 A Q H X S+ 0 0 125 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.903 108.5 46.6 -61.4 -41.4 15.1 23.9 2.7 56 57 A V H X S+ 0 0 44 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.890 108.0 55.1 -70.4 -38.1 17.1 25.7 5.5 57 58 A L H X S+ 0 0 11 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.907 108.1 51.3 -59.3 -38.3 14.4 28.4 5.8 58 59 A G H X S+ 0 0 17 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.891 107.2 52.0 -62.9 -40.5 12.0 25.6 6.3 59 60 A I H X S+ 0 0 62 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.858 107.0 53.3 -65.6 -35.2 14.2 24.1 9.0 60 61 A L H < S+ 0 0 12 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.875 111.1 46.4 -64.1 -39.5 14.2 27.5 10.8 61 62 A V H >< S+ 0 0 14 -4,-1.7 3,-2.0 1,-0.2 4,-0.2 0.950 109.3 53.5 -68.0 -50.2 10.4 27.6 10.7 62 63 A Q H 3< S+ 0 0 166 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.799 118.1 37.4 -52.8 -32.9 10.1 24.0 12.0 63 64 A G T >< S+ 0 0 17 -4,-1.4 3,-1.2 -5,-0.2 -1,-0.3 0.113 79.7 117.9-107.5 22.0 12.4 24.9 14.9 64 65 A I T < S+ 0 0 4 -3,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.725 72.7 56.6 -64.7 -22.3 11.1 28.4 15.5 65 66 A D T 3 S+ 0 0 90 -3,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.735 122.9 25.2 -80.8 -23.8 9.9 27.5 19.0 66 67 A N X + 0 0 94 -3,-1.2 3,-0.9 1,-0.1 -1,-0.3 -0.600 66.5 160.0-138.8 77.9 13.4 26.5 19.9 67 68 A L G > S+ 0 0 29 -3,-0.5 3,-2.8 1,-0.3 4,-0.3 0.824 72.5 69.5 -69.6 -31.4 15.9 28.3 17.8 68 69 A E G > S+ 0 0 155 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.823 88.5 66.5 -53.3 -30.8 18.7 27.6 20.3 69 70 A G G < S+ 0 0 46 -3,-0.9 -1,-0.3 1,-0.3 4,-0.3 0.633 99.8 51.7 -64.5 -11.5 18.3 24.0 19.2 70 71 A L G <> S+ 0 0 25 -3,-2.8 4,-2.7 -7,-0.1 5,-0.3 0.398 76.5 101.0-108.2 -0.8 19.6 25.1 15.8 71 72 A I H <> S+ 0 0 54 -3,-1.5 4,-2.3 -4,-0.3 5,-0.2 0.904 83.1 49.4 -49.2 -49.4 22.8 26.9 17.0 72 73 A P H > S+ 0 0 70 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.957 113.1 43.4 -58.9 -56.2 25.0 23.9 16.1 73 74 A T H > S+ 0 0 83 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.886 115.9 49.8 -58.4 -39.9 23.7 23.5 12.5 74 75 A L H X S+ 0 0 11 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.839 109.1 52.4 -67.5 -34.4 23.8 27.2 12.0 75 76 A Q H X S+ 0 0 104 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.938 109.9 47.9 -65.5 -45.5 27.3 27.4 13.3 76 77 A D H X S+ 0 0 89 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.888 112.0 50.7 -60.3 -40.2 28.4 24.7 10.9 77 78 A L H X S+ 0 0 32 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.898 108.3 51.1 -65.8 -41.7 26.7 26.6 8.0 78 79 A G H X S+ 0 0 7 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.852 108.4 53.5 -63.4 -33.3 28.4 29.9 8.9 79 80 A R H X S+ 0 0 190 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.903 108.2 48.6 -69.6 -41.6 31.7 28.1 8.9 80 81 A R H X S+ 0 0 103 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.845 106.8 58.1 -65.6 -35.0 31.1 26.7 5.4 81 82 A H H ><>S+ 0 0 42 -4,-2.0 5,-2.3 1,-0.2 3,-0.6 0.852 100.2 55.6 -62.9 -37.2 30.1 30.2 4.3 82 83 A K H ><5S+ 0 0 168 -4,-1.5 3,-1.5 1,-0.2 -1,-0.2 0.919 106.1 52.6 -58.4 -41.4 33.5 31.5 5.4 83 84 A Q H 3<5S+ 0 0 150 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.671 103.2 58.4 -67.9 -18.3 34.9 28.9 3.0 84 85 A Y T <<5S- 0 0 124 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.400 123.2-102.9 -89.6 -0.4 32.7 30.2 0.2 85 86 A G T < 5S+ 0 0 40 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.583 71.5 150.5 89.1 9.4 34.2 33.7 0.5 86 87 A V < - 0 0 32 -5,-2.3 -1,-0.3 -6,-0.1 2,-0.3 -0.586 25.6-165.3 -78.2 136.1 31.2 35.1 2.3 87 88 A V >> - 0 0 73 -2,-0.3 3,-2.1 1,-0.0 4,-0.6 -0.798 34.8-100.7-119.0 165.5 32.0 38.0 4.8 88 89 A D T >4 S+ 0 0 110 1,-0.3 3,-1.3 -2,-0.3 42,-0.1 0.835 117.1 60.5 -54.5 -38.2 29.9 39.6 7.5 89 90 A S T 3> S+ 0 0 82 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.659 93.4 66.9 -69.6 -13.8 28.9 42.6 5.5 90 91 A H H <> S+ 0 0 34 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.806 85.7 73.3 -70.9 -30.5 27.1 40.3 2.9 91 92 A Y H S+ 0 0 85 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.880 113.0 52.7 -64.7 -34.7 22.4 42.4 5.6 93 94 A L H X S+ 0 0 66 -4,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.907 112.6 43.3 -65.6 -42.9 22.4 42.6 1.8 94 95 A V H X S+ 0 0 39 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.894 114.1 51.1 -70.1 -40.1 21.2 39.0 1.5 95 96 A G H X S+ 0 0 7 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.929 111.7 46.7 -62.2 -47.1 18.6 39.5 4.2 96 97 A D H X S+ 0 0 77 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.917 114.7 47.3 -60.3 -45.9 17.2 42.7 2.6 97 98 A C H X S+ 0 0 8 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.897 111.7 49.7 -65.4 -42.0 17.1 41.0 -0.8 98 99 A L H X S+ 0 0 4 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.937 113.4 45.6 -61.8 -49.4 15.4 37.8 0.5 99 100 A L H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.911 113.1 49.9 -63.7 -42.1 12.7 39.8 2.4 100 101 A K H X S+ 0 0 116 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.845 110.6 51.6 -63.6 -32.8 12.1 42.1 -0.6 101 102 A S H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.905 109.3 47.4 -72.1 -43.5 11.8 39.0 -2.8 102 103 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.940 114.2 49.7 -59.6 -46.4 9.3 37.3 -0.6 103 104 A Q H X S+ 0 0 39 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.923 111.2 49.0 -56.0 -49.0 7.4 40.7 -0.5 104 105 A E H < S+ 0 0 55 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.918 116.0 41.3 -57.7 -48.0 7.5 41.0 -4.3 105 106 A Y H < S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.891 123.7 36.2 -73.5 -38.0 6.3 37.5 -5.0 106 107 A L H >< S+ 0 0 26 -4,-2.7 3,-2.3 -5,-0.2 -1,-0.2 0.660 83.0 179.3 -90.9 -17.8 3.6 37.4 -2.3 107 108 A G G >< S- 0 0 33 -4,-2.2 3,-1.6 -5,-0.3 -1,-0.2 -0.268 74.2 -0.2 52.7-124.0 2.4 41.0 -2.5 108 109 A Q G 3 S+ 0 0 194 1,-0.3 -1,-0.3 -2,-0.0 -2,-0.1 0.698 122.1 78.1 -68.8 -17.2 -0.4 41.7 -0.1 109 110 A G G < S+ 0 0 28 -3,-2.3 2,-0.5 1,-0.2 -1,-0.3 0.609 89.7 62.1 -63.8 -12.2 -0.2 38.0 1.0 110 111 A F S < S- 0 0 5 -3,-1.6 -1,-0.2 -7,-0.2 -4,-0.0 -0.929 83.2-151.5-121.4 104.4 2.9 39.1 3.0 111 112 A T > - 0 0 57 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.232 25.4-115.6 -75.2 161.8 2.1 41.6 5.7 112 113 A E H > S+ 0 0 118 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.874 119.5 53.9 -60.8 -35.6 4.4 44.2 7.2 113 114 A E H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 108.9 47.5 -66.8 -40.8 4.1 42.4 10.5 114 115 A A H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.926 111.2 51.4 -63.9 -44.5 5.2 39.1 8.9 115 116 A K H X S+ 0 0 56 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.866 109.1 51.3 -60.7 -36.9 8.1 41.0 7.1 116 117 A A H X S+ 0 0 53 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.894 109.8 49.0 -69.3 -40.1 9.2 42.4 10.5 117 118 A A H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.917 111.1 49.6 -63.3 -44.6 9.2 39.0 12.1 118 119 A W H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.851 105.7 58.2 -64.2 -33.9 11.2 37.5 9.3 119 120 A T H X S+ 0 0 78 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.929 109.4 44.4 -57.9 -44.8 13.7 40.4 9.6 120 121 A K H X S+ 0 0 101 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.905 112.8 50.2 -69.1 -41.6 14.3 39.4 13.2 121 122 A V H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.887 112.7 47.5 -64.6 -39.6 14.5 35.7 12.5 122 123 A Y H X S+ 0 0 43 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.924 109.8 52.4 -67.2 -44.0 17.0 36.3 9.7 123 124 A G H X S+ 0 0 31 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.877 110.5 49.3 -57.1 -40.1 19.1 38.7 11.9 124 125 A I H X S+ 0 0 52 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.904 111.1 48.2 -66.1 -43.7 19.2 35.9 14.5 125 126 A A H X S+ 0 0 7 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.914 112.5 49.2 -63.7 -41.8 20.3 33.3 12.0 126 127 A A H X S+ 0 0 11 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.852 108.2 54.6 -68.3 -35.4 23.0 35.6 10.6 127 128 A Q H X S+ 0 0 135 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.931 111.3 43.9 -60.3 -48.8 24.2 36.4 14.1 128 129 A V H < S+ 0 0 23 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.863 113.4 52.2 -64.1 -37.3 24.7 32.7 14.9 129 130 A M H < S+ 0 0 28 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.796 116.7 37.7 -71.6 -29.7 26.3 32.1 11.5 130 131 A T H < 0 0 43 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.539 360.0 360.0 -99.4 -8.4 28.9 34.8 11.9 131 132 A A < 0 0 121 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.267 360.0 360.0 57.1 360.0 29.5 34.2 15.6 132 !* 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 0.0 133 2 B I 0 0 61 0, 0.0 66,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 150.7 11.9 25.0 -39.3 134 3 B D > - 0 0 84 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.245 360.0 -93.9 -91.3 178.3 10.7 21.6 -40.5 135 4 B Q H > S+ 0 0 92 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.895 123.0 50.5 -61.7 -42.0 7.8 19.4 -39.4 136 5 B K H > S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 110.3 51.4 -64.9 -37.3 9.7 17.3 -36.9 137 6 B E H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 107.7 51.9 -64.1 -43.4 11.0 20.5 -35.3 138 7 B K H X S+ 0 0 44 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.900 110.5 49.3 -56.6 -43.1 7.5 22.0 -35.0 139 8 B E H X S+ 0 0 13 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.913 109.0 51.5 -65.0 -40.7 6.4 18.8 -33.3 140 9 B L H X S+ 0 0 21 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.886 108.3 52.3 -64.1 -39.2 9.4 18.9 -30.9 141 10 B I H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.948 112.7 44.8 -60.2 -48.4 8.5 22.4 -29.9 142 11 B K H X S+ 0 0 57 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.901 117.6 43.0 -63.5 -43.2 4.9 21.5 -29.2 143 12 B E H >< S+ 0 0 3 -4,-2.7 3,-0.9 1,-0.2 4,-0.4 0.930 114.6 48.4 -73.0 -43.0 5.8 18.3 -27.2 144 13 B S H >X S+ 0 0 16 -4,-2.8 4,-2.2 1,-0.3 3,-1.5 0.823 100.8 65.7 -68.3 -28.6 8.6 19.8 -25.2 145 14 B W H 3X S+ 0 0 35 -4,-1.8 4,-3.1 -5,-0.3 -1,-0.3 0.828 89.1 69.1 -61.7 -26.4 6.5 22.8 -24.3 146 15 B K H << S+ 0 0 68 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.782 108.8 34.7 -62.7 -25.6 4.3 20.3 -22.4 147 16 B R H <4 S+ 0 0 38 -3,-1.5 4,-0.5 -4,-0.4 -2,-0.2 0.786 119.8 49.4 -93.4 -35.4 7.2 20.0 -19.9 148 17 B I H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 7,-0.2 0.932 103.4 60.3 -66.4 -45.8 8.4 23.6 -20.1 149 18 B E G >< S+ 0 0 73 -4,-3.1 3,-1.7 1,-0.3 4,-0.3 0.871 100.9 49.5 -57.7 -46.2 5.1 25.2 -19.6 150 19 B P G 3 S+ 0 0 82 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.707 121.5 39.1 -66.2 -17.2 4.2 23.8 -16.1 151 20 B N G <> S+ 0 0 46 -3,-1.3 4,-2.5 -4,-0.5 3,-0.2 0.149 83.2 114.2-110.8 14.8 7.7 24.9 -15.0 152 21 B K H <> S+ 0 0 59 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.812 71.8 52.4 -67.4 -33.7 7.7 28.2 -16.9 153 22 B N H > S+ 0 0 53 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.899 113.8 44.4 -65.2 -43.3 7.8 30.6 -13.9 154 23 B E H > S+ 0 0 21 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 113.4 49.8 -68.2 -44.8 10.8 28.8 -12.4 155 24 B I H X S+ 0 0 0 -4,-2.5 4,-2.4 -7,-0.2 -2,-0.2 0.925 111.2 50.1 -60.4 -43.8 12.6 28.5 -15.7 156 25 B G H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.915 113.0 45.0 -59.8 -44.9 12.1 32.3 -16.4 157 26 B L H X S+ 0 0 4 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.909 112.4 50.9 -70.2 -42.9 13.4 33.3 -12.9 158 27 B L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.888 106.2 58.4 -57.0 -40.0 16.4 30.9 -13.1 159 28 B F H X S+ 0 0 6 -4,-2.4 4,-3.1 -5,-0.2 -2,-0.2 0.925 106.2 46.3 -57.9 -45.8 17.1 32.5 -16.6 160 29 B Y H X S+ 0 0 2 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.916 112.2 51.0 -67.2 -38.8 17.4 36.0 -15.1 161 30 B A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.948 115.4 42.3 -59.9 -48.3 19.6 34.7 -12.3 162 31 B N H X S+ 0 0 28 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.897 115.2 50.4 -64.1 -41.5 21.8 33.0 -14.8 163 32 B L H X S+ 0 0 1 -4,-3.1 4,-2.7 -5,-0.2 7,-0.2 0.938 111.3 47.1 -61.5 -49.7 21.7 36.0 -17.2 164 33 B F H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.819 114.2 48.6 -67.0 -31.5 22.7 38.5 -14.5 165 34 B K H < S+ 0 0 69 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.918 114.1 45.2 -69.5 -43.5 25.5 36.2 -13.3 166 35 B E H < S+ 0 0 132 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.883 134.1 14.2 -69.1 -39.2 26.9 35.7 -16.8 167 36 B E >< - 0 0 66 -4,-2.7 3,-1.8 -5,-0.2 4,-0.5 -0.683 65.8-178.3-139.7 80.8 26.7 39.4 -17.8 168 37 B P G > S+ 0 0 45 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.775 76.9 70.3 -56.7 -24.2 26.1 41.6 -14.8 169 38 B T G > S+ 0 0 95 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.811 90.1 58.9 -65.0 -29.1 26.0 44.7 -17.1 170 39 B V G X> S+ 0 0 8 -3,-1.8 3,-1.6 1,-0.2 4,-0.5 0.725 85.2 78.6 -74.0 -18.3 22.6 43.8 -18.6 171 40 B S G X4 S+ 0 0 2 -3,-1.1 3,-0.9 -4,-0.5 -1,-0.2 0.784 83.0 64.9 -64.0 -24.0 20.8 43.8 -15.3 172 41 B V G <4 S+ 0 0 99 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.762 93.0 62.2 -68.3 -23.8 20.7 47.6 -15.3 173 42 B L G <4 S+ 0 0 60 -3,-1.6 2,-1.1 -4,-0.3 -1,-0.2 0.738 86.0 82.8 -72.6 -22.3 18.4 47.5 -18.4 174 43 B F << + 0 0 44 -3,-0.9 -1,-0.1 -4,-0.5 4,-0.1 -0.712 49.9 160.5 -89.6 99.2 15.8 45.7 -16.4 175 44 B Q + 0 0 173 -2,-1.1 -1,-0.2 2,-0.1 3,-0.1 0.679 50.0 71.2 -96.0 -20.4 13.9 48.4 -14.6 176 45 B N S S- 0 0 107 1,-0.2 5,-0.1 2,-0.1 0, 0.0 -0.516 101.3 -68.9 -97.7 164.0 10.7 46.6 -13.7 177 46 B P > - 0 0 65 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.241 39.0-137.8 -55.6 135.4 10.1 43.8 -11.2 178 47 B I H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.833 100.8 61.5 -65.7 -34.5 11.7 40.6 -12.3 179 48 B S H > S+ 0 0 22 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.913 110.2 40.9 -57.9 -42.8 8.7 38.5 -11.2 180 49 B S H > S+ 0 0 35 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.882 112.9 54.5 -74.4 -36.1 6.5 40.4 -13.7 181 50 B Q H X S+ 0 0 51 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.915 105.3 53.2 -61.5 -43.4 9.3 40.4 -16.4 182 51 B S H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.893 107.2 52.1 -61.0 -39.6 9.6 36.6 -16.3 183 52 B R H X S+ 0 0 167 -4,-1.2 4,-1.9 -5,-0.2 -1,-0.2 0.910 110.3 48.6 -63.3 -41.8 5.9 36.2 -16.8 184 53 B K H X S+ 0 0 113 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.922 112.0 48.2 -63.2 -45.7 6.0 38.5 -19.9 185 54 B L H X S+ 0 0 36 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.931 113.3 46.8 -61.1 -45.1 9.0 36.6 -21.4 186 55 B M H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.816 106.9 59.0 -71.5 -28.4 7.4 33.2 -20.8 187 56 B Q H X S+ 0 0 129 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.929 107.1 47.1 -61.3 -46.2 4.1 34.5 -22.3 188 57 B V H X S+ 0 0 43 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.897 108.7 53.5 -65.4 -39.8 5.9 35.3 -25.6 189 58 B L H X S+ 0 0 10 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.926 108.1 52.0 -57.7 -40.9 7.6 31.9 -25.6 190 59 B G H X S+ 0 0 16 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.884 107.4 52.4 -60.7 -40.3 4.1 30.4 -25.3 191 60 B I H X S+ 0 0 61 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.880 105.7 53.7 -63.3 -39.7 3.0 32.6 -28.2 192 61 B L H < S+ 0 0 10 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.906 111.6 46.4 -60.1 -41.1 5.8 31.2 -30.3 193 62 B V H >< S+ 0 0 13 -4,-2.0 3,-1.5 1,-0.2 4,-0.2 0.935 110.3 51.8 -66.1 -47.3 4.7 27.7 -29.5 194 63 B Q H 3< S+ 0 0 167 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.857 119.9 36.7 -56.2 -36.4 1.0 28.6 -30.3 195 64 B G T >< S+ 0 0 19 -4,-2.2 3,-2.1 1,-0.2 -1,-0.3 0.250 80.9 117.7-100.2 13.1 2.2 29.9 -33.6 196 65 B I G X + 0 0 1 -3,-1.5 3,-0.5 1,-0.3 -1,-0.2 0.721 69.6 58.4 -59.3 -26.8 4.9 27.4 -34.4 197 66 B D G 3 S+ 0 0 73 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.701 122.2 25.3 -75.5 -17.6 3.3 26.0 -37.5 198 67 B N G X + 0 0 97 -3,-2.1 3,-1.4 1,-0.1 4,-0.3 -0.521 64.3 161.3-146.0 70.4 3.3 29.4 -39.1 199 68 B L G X S+ 0 0 27 -3,-0.5 3,-2.3 1,-0.3 4,-0.4 0.834 74.7 70.7 -63.4 -32.1 6.0 31.6 -37.6 200 69 B E G > S+ 0 0 152 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.843 90.8 62.3 -48.8 -35.3 5.7 33.9 -40.6 201 70 B G G < S+ 0 0 46 -3,-1.4 -1,-0.3 1,-0.2 4,-0.2 0.668 100.7 51.2 -66.2 -18.4 2.4 34.9 -39.1 202 71 B L G <> S+ 0 0 27 -3,-2.3 4,-2.7 -4,-0.3 5,-0.3 0.398 78.3 102.5 -99.3 0.3 4.1 36.3 -36.0 203 72 B I H <> S+ 0 0 57 -3,-1.3 4,-2.6 -4,-0.4 5,-0.2 0.908 80.8 48.9 -54.1 -48.2 6.6 38.5 -37.9 204 73 B P H > S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.909 112.8 47.8 -59.1 -43.2 4.7 41.7 -37.3 205 74 B T H > S+ 0 0 80 -4,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.903 114.3 46.8 -60.6 -44.1 4.3 41.0 -33.5 206 75 B L H X S+ 0 0 9 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.836 109.8 53.3 -69.4 -33.8 8.0 40.1 -33.3 207 76 B Q H X S+ 0 0 86 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.921 109.8 48.2 -66.7 -41.8 9.0 43.3 -35.3 208 77 B D H X S+ 0 0 75 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.908 112.4 49.5 -61.4 -42.5 7.0 45.4 -32.8 209 78 B L H X S+ 0 0 29 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.918 110.6 49.4 -63.2 -42.9 8.7 43.6 -30.0 210 79 B G H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.873 108.9 53.2 -64.1 -38.5 12.1 44.1 -31.5 211 80 B R H X S+ 0 0 135 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.934 109.3 48.0 -62.0 -46.9 11.4 47.8 -32.0 212 81 B R H X S+ 0 0 103 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.864 108.0 56.5 -61.8 -37.3 10.4 48.2 -28.3 213 82 B H H >X>S+ 0 0 44 -4,-2.1 5,-2.1 1,-0.2 4,-0.6 0.902 99.7 57.8 -62.3 -42.7 13.6 46.4 -27.3 214 83 B K H ><5S+ 0 0 171 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.912 104.6 53.3 -50.9 -42.7 15.8 48.9 -29.2 215 84 B Q H 3<5S+ 0 0 146 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.826 102.1 58.0 -63.8 -32.0 14.2 51.5 -27.0 216 85 B Y H <<5S- 0 0 123 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.579 124.8-102.0 -73.5 -10.9 15.2 49.6 -23.9 217 86 B G T <<5S+ 0 0 37 -3,-1.4 2,-0.3 -4,-0.6 -3,-0.2 0.559 71.5 150.9 97.2 10.3 18.8 49.8 -25.0 218 87 B V < - 0 0 27 -5,-2.1 -1,-0.3 -8,-0.1 2,-0.3 -0.577 24.2-168.1 -76.3 136.4 19.0 46.2 -26.3 219 88 B V >> - 0 0 76 -2,-0.3 3,-1.9 1,-0.1 4,-0.6 -0.801 36.0 -95.3-125.2 168.2 21.5 45.7 -29.1 220 89 B D T >4 S+ 0 0 106 1,-0.3 3,-1.7 -2,-0.3 -1,-0.1 0.854 118.3 56.8 -52.2 -45.3 22.1 42.9 -31.6 221 90 B S T 3> S+ 0 0 90 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.682 95.0 68.6 -64.7 -18.3 24.9 41.2 -29.6 222 91 B H H <> S+ 0 0 40 -3,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.786 87.1 69.7 -67.1 -29.7 22.6 40.8 -26.6 223 92 B Y H S+ 0 0 87 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.893 113.8 53.0 -63.9 -35.4 23.0 35.4 -28.7 225 94 B L H X S+ 0 0 40 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.945 112.7 42.6 -59.7 -51.5 23.8 36.0 -25.0 226 95 B V H X S+ 0 0 37 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B I H X S+ 0 0 53 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.936 112.7 48.7 -62.2 -47.2 14.5 32.9 -35.9 257 126 B A H X S+ 0 0 9 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.921 111.7 49.7 -57.9 -45.8 12.8 35.1 -33.3 258 127 B A H X S+ 0 0 12 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.906 109.3 52.4 -60.9 -43.0 16.0 37.0 -32.7 259 128 B Q H X S+ 0 0 116 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.914 111.8 45.2 -61.1 -44.5 16.5 37.5 -36.5 260 129 B V H < S+ 0 0 13 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.893 111.5 52.5 -66.6 -41.2 13.0 38.9 -36.9 261 130 B M H < S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.805 119.4 34.9 -64.0 -29.1 13.3 41.2 -33.9 262 131 B T H < 0 0 47 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.457 360.0 360.0-108.2 -4.4 16.6 42.7 -35.1 263 132 B A < 0 0 104 -4,-1.0 -3,-0.0 -3,-0.4 -4,-0.0 -0.344 360.0 360.0 -62.8 360.0 16.1 42.8 -38.9 264 !* 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 2 C I 0 0 73 0, 0.0 116,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.9 -6.8 -5.1 -7.6 266 3 C D > - 0 0 96 1,-0.1 4,-1.6 4,-0.0 5,-0.0 0.037 360.0-115.6 -63.3 172.4 -9.1 -8.1 -7.0 267 4 C Q H > S+ 0 0 161 2,-0.2 4,-2.1 3,-0.1 5,-0.1 0.822 120.9 53.2 -74.1 -34.6 -8.5 -11.8 -7.7 268 5 C K H > S+ 0 0 144 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.891 108.6 48.6 -67.2 -39.1 -11.3 -11.6 -10.3 269 6 C E H > S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.931 109.4 52.9 -65.5 -43.1 -9.5 -8.7 -11.9 270 7 C K H X S+ 0 0 53 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.905 111.6 46.1 -54.9 -42.5 -6.3 -10.6 -11.9 271 8 C E H X S+ 0 0 110 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.857 109.0 54.4 -73.8 -32.7 -8.0 -13.5 -13.6 272 9 C L H X S+ 0 0 29 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.876 107.6 51.8 -65.4 -38.3 -9.7 -11.2 -16.1 273 10 C I H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.931 111.6 46.2 -61.2 -46.3 -6.2 -9.9 -17.0 274 11 C K H X S+ 0 0 65 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.906 114.3 47.2 -65.5 -40.8 -4.9 -13.4 -17.5 275 12 C E H X S+ 0 0 71 -4,-2.4 4,-0.7 2,-0.2 3,-0.2 0.932 114.0 46.1 -67.8 -45.7 -7.9 -14.5 -19.6 276 13 C S H >X S+ 0 0 0 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-4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.807 112.8 51.9 -73.3 -29.2 -0.6 9.1 -34.2 297 34 C K H < S+ 0 0 179 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.900 115.0 42.4 -67.3 -39.5 -4.0 9.7 -35.7 298 35 C E H < S+ 0 0 130 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.876 128.5 25.9 -76.9 -40.5 -5.3 10.9 -32.3 299 36 C E S >< S- 0 0 23 -4,-2.7 3,-1.0 -5,-0.2 4,-0.5 -0.882 74.8-166.5-130.3 94.0 -2.3 13.1 -31.3 300 37 C P T 3 S+ 0 0 92 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.462 80.0 42.8 -72.3 -6.2 -0.6 14.1 -34.5 301 38 C T T > S+ 0 0 19 2,-0.1 3,-1.7 -162,-0.1 4,-0.2 0.546 88.1 83.8-110.3 -13.5 2.7 15.4 -33.1 302 39 C V G X S+ 0 0 6 -3,-1.0 3,-2.0 1,-0.3 4,-0.4 0.775 74.7 76.7 -65.7 -23.4 3.5 12.8 -30.5 303 40 C S G > S+ 0 0 27 -4,-0.5 3,-1.3 1,-0.3 -1,-0.3 0.749 77.6 74.4 -58.5 -24.3 5.1 10.5 -33.1 304 41 C V G < S+ 0 0 19 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.786 87.1 61.9 -62.4 -23.4 8.2 12.8 -33.1 305 42 C L G < S+ 0 0 26 -3,-2.0 2,-1.0 -4,-0.2 -1,-0.2 0.750 85.1 84.3 -72.9 -22.9 9.2 11.3 -29.8 306 43 C F < + 0 0 58 -3,-1.3 -1,-0.1 -4,-0.4 4,-0.1 -0.712 51.2 168.4 -87.3 102.5 9.5 7.8 -31.3 307 44 C Q + 0 0 125 -2,-1.0 -1,-0.2 2,-0.1 3,-0.1 0.618 53.9 65.5 -92.8 -15.3 13.0 7.7 -32.8 308 45 C N S S- 0 0 108 1,-0.1 5,-0.1 2,-0.0 -2,-0.0 -0.592 102.2 -66.1-107.8 168.5 13.3 4.0 -33.6 309 46 C P > - 0 0 75 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.246 41.0-135.5 -55.3 135.2 11.4 1.7 -36.0 310 47 C I H > S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.857 103.8 56.8 -63.2 -36.0 7.8 1.4 -35.0 311 48 C S H > S+ 0 0 55 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.906 110.0 46.1 -62.9 -38.1 7.8 -2.4 -35.5 312 49 C S H > S+ 0 0 40 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.924 113.1 49.1 -67.0 -45.2 10.7 -2.6 -33.0 313 50 C Q H X S+ 0 0 48 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.898 107.1 55.6 -61.0 -41.5 9.0 -0.3 -30.5 314 51 C S H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.894 104.9 52.4 -61.3 -40.3 5.7 -2.2 -30.7 315 52 C R H X S+ 0 0 138 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.895 109.6 50.3 -61.7 -40.0 7.5 -5.5 -29.8 316 53 C K H X S+ 0 0 116 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.901 110.3 48.2 -65.6 -43.2 9.0 -3.8 -26.8 317 54 C L H X S+ 0 0 40 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.945 113.2 47.0 -62.0 -48.7 5.7 -2.4 -25.5 318 55 C M H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.842 107.7 57.7 -67.8 -32.2 3.8 -5.7 -25.9 319 56 C Q H X S+ 0 0 123 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.919 108.2 46.1 -61.3 -43.0 6.7 -7.5 -24.2 320 57 C V H X S+ 0 0 45 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.882 108.1 55.2 -68.6 -36.6 6.3 -5.3 -21.1 321 58 C L H X S+ 0 0 10 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.922 108.5 50.8 -59.0 -40.8 2.5 -5.8 -21.2 322 59 C G H X S+ 0 0 12 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.849 107.2 52.4 -62.8 -37.5 3.3 -9.5 -21.1 323 60 C I H X S+ 0 0 57 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.888 106.8 53.6 -66.9 -37.9 5.6 -9.0 -18.1 324 61 C L H < S+ 0 0 13 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.906 111.9 44.5 -58.6 -45.6 2.8 -7.2 -16.3 325 62 C V H >< S+ 0 0 14 -4,-1.9 3,-2.2 1,-0.2 4,-0.3 0.953 109.9 54.8 -65.3 -51.4 0.5 -10.1 -16.9 326 63 C Q H 3< S+ 0 0 167 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.830 118.0 37.0 -46.7 -38.4 3.2 -12.6 -15.9 327 64 C G T >< S+ 0 0 19 -4,-1.8 3,-1.4 1,-0.2 -1,-0.3 0.134 79.9 117.0-105.2 21.6 3.5 -10.7 -12.6 328 65 C I T < + 0 0 2 -3,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.743 68.9 62.0 -66.8 -23.1 -0.2 -9.8 -12.0 329 66 C D T 3 S+ 0 0 90 -3,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.739 122.6 20.5 -74.8 -20.3 -0.4 -11.8 -8.8 330 67 C N X + 0 0 94 -3,-1.4 3,-0.9 1,-0.1 -1,-0.3 -0.584 64.0 164.9-148.6 81.8 2.2 -9.5 -7.3 331 68 C L G > S+ 0 0 31 -3,-0.5 3,-2.9 1,-0.2 4,-0.4 0.831 73.7 73.1 -67.0 -33.6 2.6 -6.2 -9.1 332 69 C E G > S+ 0 0 141 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.846 89.6 61.3 -47.3 -37.7 4.5 -4.8 -6.1 333 70 C G G < S+ 0 0 45 -3,-0.9 -1,-0.3 1,-0.3 4,-0.3 0.639 102.3 51.3 -66.4 -15.0 7.4 -7.0 -7.2 334 71 C L G <> S+ 0 0 26 -3,-2.9 4,-2.7 -4,-0.2 -1,-0.3 0.403 80.0 99.2-100.0 -0.9 7.5 -5.1 -10.5 335 72 C I H <> S+ 0 0 58 -3,-1.5 4,-2.9 -4,-0.4 5,-0.2 0.912 82.2 49.0 -55.6 -48.6 7.6 -1.6 -8.9 336 73 C P H > S+ 0 0 72 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.940 112.2 49.7 -55.3 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