==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 24-MAR-09 3GQG . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: TREMATOMUS BERNACCHII; . AUTHOR A.VERGARA,M.FRANZESE,A.MERLINO,G.BONOMI,L.MAZZARELLA . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 443 76.9 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 . 16 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 57.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 4 3 0 0 0 3 0 0 2 2 3 4 0 2 3 4 1 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 1 A S 0 0 64 0, 0.0 2,-0.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 159.8 10.2 3.2 1.9 2 2 A L - 0 0 26 72,-0.2 2,-0.1 126,-0.1 123,-0.0 -0.796 360.0-150.9 -95.1 128.8 13.4 3.2 4.0 3 3 A S > - 0 0 53 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.314 35.6 -99.1 -86.4 175.2 15.9 6.0 3.4 4 4 A D H > S+ 0 0 131 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.886 127.6 55.0 -61.4 -37.1 19.6 5.6 3.9 5 5 A K H > S+ 0 0 163 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.951 109.3 46.9 -58.1 -50.0 19.1 7.3 7.3 6 6 A D H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.913 112.3 49.0 -56.5 -48.3 16.5 4.7 8.2 7 7 A K H X S+ 0 0 34 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.913 111.1 49.0 -65.5 -37.7 18.6 1.8 7.1 8 8 A A H X S+ 0 0 57 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.892 111.0 51.9 -67.6 -38.1 21.7 3.0 9.0 9 9 A A H X S+ 0 0 28 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.943 111.7 44.5 -64.8 -43.2 19.5 3.5 12.1 10 10 A V H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.915 113.9 51.2 -66.2 -37.8 18.1 -0.1 11.9 11 11 A R H X S+ 0 0 108 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.932 111.2 47.7 -64.7 -41.7 21.6 -1.5 11.2 12 12 A A H X S+ 0 0 47 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.897 113.6 46.2 -69.0 -43.6 23.1 0.4 14.2 13 13 A L H X S+ 0 0 7 -4,-2.4 4,-3.0 -5,-0.3 3,-0.4 0.970 113.3 48.6 -63.9 -47.3 20.3 -0.7 16.6 14 14 A W H X S+ 0 0 44 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.854 106.5 57.4 -61.8 -32.4 20.4 -4.3 15.5 15 15 A S H < S+ 0 0 101 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.2 0.911 114.2 40.8 -58.3 -39.7 24.2 -4.3 15.8 16 16 A K H < S+ 0 0 105 -4,-1.5 3,-0.2 -3,-0.4 -2,-0.2 0.876 128.5 25.7 -77.4 -45.8 23.6 -3.3 19.5 17 17 A I H >< S+ 0 0 1 -4,-3.0 3,-2.4 1,-0.2 -3,-0.2 0.625 91.2 96.2-101.6 -11.0 20.7 -5.5 20.4 18 18 A G G >< S+ 0 0 19 -4,-2.3 3,-2.1 -5,-0.3 4,-0.2 0.780 73.3 69.6 -48.1 -34.3 21.1 -8.5 18.0 19 19 A K G 3 S+ 0 0 193 1,-0.3 3,-0.3 -4,-0.3 -1,-0.3 0.793 102.1 47.1 -53.9 -29.7 22.9 -10.5 20.7 20 20 A S G <> S+ 0 0 34 -3,-2.4 4,-2.9 1,-0.2 -1,-0.3 0.160 73.1 120.4 -99.9 14.9 19.6 -10.7 22.5 21 21 A A H <> S+ 0 0 13 -3,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.852 73.4 53.4 -50.7 -41.5 17.4 -11.7 19.6 22 22 A D H > S+ 0 0 72 -3,-0.3 4,-2.0 -4,-0.2 -1,-0.2 0.959 113.1 41.7 -61.9 -51.2 16.3 -15.0 21.2 23 23 A A H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.880 112.4 55.1 -63.1 -42.3 15.1 -13.4 24.4 24 24 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.924 108.6 50.6 -54.8 -41.5 13.5 -10.5 22.5 25 25 A G H X S+ 0 0 1 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.903 110.4 46.5 -63.7 -46.3 11.6 -13.2 20.5 26 26 A N H X S+ 0 0 31 -4,-2.0 4,-2.5 1,-0.2 26,-0.4 0.941 114.9 47.7 -64.3 -45.5 10.3 -15.0 23.6 27 27 A D H X S+ 0 0 44 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.917 114.1 46.7 -63.1 -40.7 9.3 -11.8 25.3 28 28 A A H X S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.924 114.5 44.3 -71.9 -41.9 7.5 -10.5 22.1 29 29 A L H X S+ 0 0 3 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.871 112.8 54.4 -67.5 -35.9 5.6 -13.7 21.3 30 30 A S H X S+ 0 0 11 -4,-2.5 4,-1.4 -5,-0.3 5,-0.3 0.911 110.1 45.6 -62.3 -42.8 4.7 -13.9 25.0 31 31 A R H X>S+ 0 0 7 -4,-2.2 4,-2.6 -5,-0.2 5,-0.6 0.918 109.7 56.5 -66.8 -37.3 3.3 -10.4 25.0 32 32 A M H X5S+ 0 0 12 -4,-2.3 4,-1.9 1,-0.2 7,-0.3 0.918 109.9 42.1 -59.9 -47.6 1.4 -11.1 21.8 33 33 A I H <5S+ 0 0 3 -4,-2.0 -1,-0.2 2,-0.2 7,-0.2 0.698 120.0 42.3 -76.9 -22.5 -0.5 -14.1 23.1 34 34 A V H <5S+ 0 0 54 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.881 123.8 33.7 -87.9 -43.9 -1.4 -12.6 26.5 35 35 A V H <5S+ 0 0 24 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.793 133.3 31.2 -82.1 -30.3 -2.3 -9.1 25.4 36 36 A Y S >< + 0 0 28 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.663 66.6 76.7 -65.2 -12.7 -5.1 -13.6 22.9 38 38 A Q G > S+ 0 0 55 1,-0.3 3,-1.5 540,-0.2 4,-0.1 0.833 85.1 67.6 -63.6 -24.7 -7.0 -13.8 19.6 39 39 A T G X S+ 0 0 1 -3,-2.7 3,-1.7 -7,-0.3 -1,-0.3 0.709 78.0 80.2 -66.7 -15.6 -3.6 -14.5 18.1 40 40 A K G X S+ 0 0 59 -3,-1.6 3,-1.8 1,-0.3 -1,-0.3 0.717 70.9 83.7 -67.0 -14.9 -3.5 -17.8 19.9 41 41 A T G X S+ 0 0 6 -3,-1.5 3,-0.8 1,-0.3 -1,-0.3 0.762 84.4 56.4 -54.3 -30.0 -5.8 -19.2 17.1 42 42 A Y G < S+ 0 0 21 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.609 108.0 47.7 -81.5 -12.1 -2.7 -19.8 14.9 43 43 A F G X + 0 0 26 -3,-1.8 3,-2.1 -4,-0.2 -1,-0.2 -0.059 67.2 119.1-117.8 20.4 -1.0 -22.0 17.5 44 44 A S T < + 0 0 52 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.726 67.7 70.6 -61.5 -18.7 -3.9 -24.3 18.5 45 45 A H T 3 S+ 0 0 125 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.435 92.0 74.4 -77.6 -1.1 -1.7 -27.2 17.3 46 46 A W < - 0 0 30 -3,-2.1 3,-0.4 1,-0.1 -3,-0.1 -0.935 66.8-158.7-110.9 134.8 0.4 -26.5 20.3 47 47 A P S S+ 0 0 121 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.795 87.1 65.9 -76.6 -27.4 -0.7 -27.5 23.9 48 48 A D + 0 0 26 1,-0.1 2,-1.6 -5,-0.0 8,-0.4 -0.352 53.4 148.4-100.0 54.3 1.6 -24.9 25.4 49 49 A V + 0 0 24 -2,-0.8 -1,-0.1 -3,-0.4 -9,-0.0 -0.551 40.7 112.4 -83.7 69.1 0.2 -21.6 24.2 50 50 A T S > S- 0 0 75 -2,-1.6 3,-1.8 1,-0.0 6,-0.3 -0.980 78.6 -76.3-143.3 144.7 1.4 -19.8 27.4 51 51 A P T 3 S+ 0 0 73 0, 0.0 -24,-0.1 0, 0.0 6,-0.1 -0.027 113.2 1.3 -45.0 139.2 4.0 -17.1 28.0 52 52 A G T 3 S+ 0 0 33 -26,-0.4 -25,-0.1 1,-0.2 -26,-0.1 0.620 92.4 152.1 57.3 16.7 7.6 -18.3 28.0 53 53 A S <> - 0 0 8 -3,-1.8 4,-3.4 -5,-0.1 5,-0.3 -0.265 61.7-101.4 -74.1 167.6 6.6 -21.9 27.2 54 54 A P H > S+ 0 0 103 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.900 123.9 46.3 -56.4 -39.5 8.9 -24.2 25.4 55 55 A H H > S+ 0 0 81 -7,-0.3 4,-1.7 1,-0.2 5,-0.1 0.926 116.2 45.8 -72.3 -37.0 7.1 -23.8 22.1 56 56 A I H > S+ 0 0 0 -8,-0.4 4,-2.5 -6,-0.3 -1,-0.2 0.867 113.9 48.9 -66.1 -39.7 6.9 -20.0 22.5 57 57 A K H X S+ 0 0 117 -4,-3.4 4,-1.2 2,-0.2 -2,-0.2 0.978 115.3 42.0 -67.9 -51.4 10.6 -19.8 23.6 58 58 A A H X S+ 0 0 58 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.854 116.0 51.8 -62.3 -33.4 11.9 -21.9 20.7 59 59 A H H X S+ 0 0 40 -4,-1.7 4,-2.3 -5,-0.3 3,-0.5 0.899 100.5 59.3 -73.9 -36.9 9.5 -20.1 18.3 60 60 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.828 101.4 59.2 -59.6 -29.1 10.7 -16.6 19.4 61 61 A K H X S+ 0 0 102 -4,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.875 106.2 45.6 -61.1 -44.2 14.1 -17.8 18.2 62 62 A K H X S+ 0 0 153 -4,-1.0 4,-1.7 -3,-0.5 -2,-0.2 0.915 111.9 51.8 -69.2 -44.2 12.9 -18.4 14.7 63 63 A V H X S+ 0 0 34 -4,-2.3 4,-1.7 1,-0.2 3,-0.2 0.949 111.9 42.9 -62.6 -51.4 10.9 -15.1 14.5 64 64 A M H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.807 109.3 60.8 -69.7 -20.6 13.8 -12.8 15.5 65 65 A G H X S+ 0 0 40 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.854 104.1 50.3 -62.3 -37.1 15.9 -14.9 13.2 66 66 A G H X S+ 0 0 16 -4,-1.7 4,-2.5 -3,-0.2 -2,-0.2 0.870 109.0 50.2 -69.7 -34.6 13.5 -13.8 10.6 67 67 A I H X S+ 0 0 14 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.925 109.6 49.9 -70.6 -41.0 14.0 -10.1 11.7 68 68 A A H X S+ 0 0 34 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.901 110.2 52.0 -60.1 -39.3 17.8 -10.6 11.6 69 69 A L H X S+ 0 0 68 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.935 109.7 49.3 -57.5 -52.6 17.3 -12.0 8.1 70 70 A A H < S+ 0 0 0 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.878 107.7 53.7 -57.9 -38.6 15.2 -8.9 7.2 71 71 A V H >< S+ 0 0 15 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.970 110.4 46.3 -63.8 -43.0 18.0 -6.6 8.6 72 72 A S H 3< S+ 0 0 78 -4,-2.3 3,-0.3 1,-0.3 -2,-0.2 0.837 119.5 41.9 -66.6 -28.1 20.5 -8.3 6.3 73 73 A K T >< S+ 0 0 101 -4,-2.0 3,-1.8 1,-0.2 7,-0.3 0.024 77.5 124.6-101.4 25.7 18.0 -8.0 3.4 74 74 A I T < + 0 0 5 -3,-1.3 3,-0.5 1,-0.3 -1,-0.2 0.690 63.6 63.3 -69.3 -19.2 16.8 -4.5 4.1 75 75 A D T 3 S+ 0 0 103 1,-0.3 -1,-0.3 -3,-0.3 2,-0.1 0.727 123.9 16.0 -78.5 -15.9 17.7 -3.1 0.7 76 76 A D <> + 0 0 80 -3,-1.8 4,-2.4 -6,-0.2 -1,-0.3 -0.568 67.8 169.1-152.2 81.6 15.1 -5.4 -0.8 77 77 A L H > S+ 0 0 19 -3,-0.5 4,-2.7 2,-0.2 5,-0.1 0.849 76.0 60.9 -68.6 -29.7 12.7 -6.8 1.7 78 78 A K H 4 S+ 0 0 81 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.988 113.8 34.6 -59.0 -56.7 10.4 -8.3 -0.9 79 79 A T H >4 S+ 0 0 87 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.957 116.7 57.3 -59.4 -47.7 13.0 -10.5 -2.4 80 80 A G H 3< S+ 0 0 19 -4,-2.4 3,-0.3 -7,-0.3 -1,-0.2 0.852 116.1 31.6 -52.7 -45.2 14.6 -11.1 1.0 81 81 A L T 3X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -1,-0.3 0.227 81.0 115.2-103.3 18.8 11.6 -12.5 2.7 82 82 A M H <> S+ 0 0 59 -3,-1.4 4,-2.5 -4,-0.4 -1,-0.2 0.888 79.0 48.3 -60.1 -36.4 9.8 -14.2 -0.2 83 83 A E H > S+ 0 0 172 -4,-0.3 4,-1.8 -3,-0.3 -1,-0.2 0.931 113.2 47.1 -69.6 -42.3 10.2 -17.7 1.3 84 84 A L H > S+ 0 0 60 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.842 110.2 54.8 -65.1 -34.6 8.9 -16.6 4.7 85 85 A S H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.948 107.1 50.0 -62.7 -47.2 6.1 -14.8 2.9 86 86 A E H X>S+ 0 0 85 -4,-2.5 4,-2.2 -5,-0.2 5,-0.7 0.893 109.2 53.2 -57.9 -36.3 5.2 -18.1 1.1 87 87 A Q H X>S+ 0 0 98 -4,-1.8 5,-2.2 1,-0.2 4,-0.7 0.930 111.5 42.2 -67.7 -43.7 5.2 -19.9 4.4 88 88 A H H <5S+ 0 0 47 -4,-2.2 6,-2.2 3,-0.2 5,-0.5 0.849 117.8 50.1 -72.9 -30.8 2.8 -17.5 6.2 89 89 A A H <5S+ 0 0 8 -4,-2.6 4,-0.3 4,-0.2 -2,-0.2 0.984 125.8 13.2 -69.3 -61.9 0.5 -17.3 3.2 90 90 A Y H <5S+ 0 0 32 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.922 133.9 34.7 -92.3 -42.2 -0.1 -21.0 2.1 91 91 A K T < - 0 0 4 -2,-0.7 3,-2.5 1,-0.2 4,-0.3 -0.390 19.2-131.1 -59.5 125.7 -4.0 -12.8 8.5 96 96 A P T >> S+ 0 0 28 0, 0.0 3,-1.3 0, 0.0 4,-0.8 0.709 98.8 78.9 -58.4 -19.4 -1.5 -9.9 7.9 97 97 A A H 3> S+ 0 0 24 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.840 86.4 62.6 -53.2 -28.5 -3.3 -7.8 10.5 98 98 A N H <> S+ 0 0 11 -3,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.737 88.0 67.4 -75.8 -22.1 -1.4 -9.9 13.1 99 99 A F H <> S+ 0 0 17 -3,-1.3 4,-2.7 -4,-0.3 -1,-0.2 0.890 98.9 53.4 -61.8 -33.4 2.0 -8.7 11.8 100 100 A K H X S+ 0 0 136 -4,-0.8 4,-2.3 -3,-0.5 -1,-0.2 0.907 107.6 50.7 -68.0 -37.0 1.0 -5.2 13.1 101 101 A I H X S+ 0 0 28 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.963 112.2 44.9 -64.4 -50.4 0.3 -6.7 16.5 102 102 A L H X S+ 0 0 29 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.930 109.4 56.9 -62.9 -37.8 3.6 -8.5 16.8 103 103 A N H X S+ 0 0 15 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.943 106.2 49.7 -59.3 -46.3 5.5 -5.5 15.5 104 104 A H H X S+ 0 0 21 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.915 110.5 51.2 -54.0 -43.1 4.0 -3.4 18.4 105 105 A C H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.896 107.1 52.3 -66.6 -41.7 5.1 -6.1 20.8 106 106 A I H X S+ 0 0 5 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.876 109.8 49.5 -59.3 -35.7 8.6 -6.2 19.5 107 107 A L H X S+ 0 0 2 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.916 111.5 48.8 -68.2 -40.4 8.9 -2.4 20.0 108 108 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.902 111.7 50.4 -63.8 -40.2 7.6 -2.7 23.5 109 109 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.960 111.4 46.2 -64.9 -50.6 10.1 -5.5 24.1 110 110 A I H X S+ 0 0 4 -4,-2.8 4,-3.3 1,-0.2 -1,-0.2 0.928 109.5 55.5 -62.4 -38.9 13.0 -3.5 22.8 111 111 A S H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.901 110.1 46.8 -57.6 -40.4 11.9 -0.5 24.9 112 112 A T H < S+ 0 0 14 -4,-2.0 -1,-0.2 1,-0.2 151,-0.2 0.852 122.2 34.2 -67.1 -36.1 11.9 -2.6 28.0 113 113 A M H < S+ 0 0 65 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.750 131.2 24.8 -97.6 -27.5 15.3 -4.1 27.3 114 114 A F X + 0 0 24 -4,-3.3 4,-2.2 -5,-0.2 3,-0.2 -0.471 65.0 154.8-131.9 60.4 17.3 -1.3 25.6 115 115 A P T 4 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.851 76.7 51.1 -61.1 -28.9 15.7 2.0 26.7 116 116 A K T 4 S+ 0 0 178 1,-0.2 3,-0.2 -3,-0.1 -2,-0.1 0.940 114.4 41.1 -75.8 -35.3 18.9 3.9 26.1 117 117 A E T 4 S+ 0 0 61 1,-0.2 2,-1.6 -3,-0.2 -1,-0.2 0.747 98.4 78.3 -80.1 -26.4 19.4 2.6 22.6 118 118 A F < + 0 0 1 -4,-2.2 -1,-0.2 -8,-0.2 141,-0.1 -0.424 67.5 168.1 -86.8 64.2 15.8 2.8 21.6 119 119 A T > - 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0 0 20 -4,-0.5 2,-1.1 -3,-0.5 3,-0.1 -0.527 53.2-147.5 -70.9 129.6 4.0 7.5 37.5 162 19 B D >> - 0 0 88 -2,-0.3 4,-2.9 1,-0.2 3,-1.1 -0.823 20.0-176.2 -92.0 95.5 6.5 10.4 37.1 163 20 B Y H 3> S+ 0 0 36 -2,-1.1 4,-2.1 1,-0.3 -1,-0.2 0.819 76.7 59.1 -66.2 -32.1 4.3 12.5 34.9 164 21 B D H 34 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.2 44,-0.1 0.693 115.6 36.4 -72.9 -14.9 6.9 15.2 34.4 165 22 B D H <> S+ 0 0 45 -3,-1.1 4,-1.3 3,-0.1 -2,-0.2 0.838 122.3 39.8 -98.0 -49.5 9.2 12.5 32.8 166 23 B I H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.872 110.3 58.9 -70.7 -36.6 6.8 10.3 31.0 167 24 B G H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.3 5,-0.3 0.970 109.5 38.8 -64.6 -53.5 4.5 13.0 29.6 168 25 B P H > S+ 0 0 22 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.905 116.9 53.6 -62.5 -37.8 7.0 15.0 27.6 169 26 B K H X S+ 0 0 110 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.885 110.6 46.2 -59.6 -45.1 8.7 11.8 26.5 170 27 B A H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.907 115.0 44.0 -71.1 -40.3 5.5 10.3 25.2 171 28 B L H X S+ 0 0 7 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.927 114.4 50.6 -72.5 -39.2 4.3 13.4 23.3 172 29 B S H X S+ 0 0 7 -4,-2.6 4,-1.7 -5,-0.3 5,-0.2 0.969 111.0 49.0 -57.1 -50.7 7.7 14.0 21.9 173 30 B R H X S+ 0 0 26 -4,-2.4 4,-3.3 1,-0.2 5,-0.4 0.909 110.2 51.4 -54.7 -45.0 7.9 10.4 20.7 174 31 B C H X S+ 0 0 3 -4,-2.2 4,-2.8 1,-0.2 7,-0.3 0.911 108.6 50.4 -59.9 -44.4 4.5 10.7 19.1 175 32 B L H < S+ 0 0 0 -4,-2.3 -1,-0.2 2,-0.2 7,-0.2 0.784 117.7 41.0 -63.8 -28.9 5.4 13.8 17.2 176 33 B I H < S+ 0 0 18 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.922 122.2 36.2 -87.9 -52.8 8.5 12.2 15.9 177 34 B V H < S+ 0 0 0 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.846 134.3 28.3 -69.1 -31.7 7.2 8.7 15.1 178 35 B Y S >< S+ 0 0 26 -4,-2.8 3,-2.7 -5,-0.4 -1,-0.3 -0.571 75.5 175.0-128.1 68.1 3.8 10.0 13.9 179 36 B P G > + 0 0 18 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.611 67.2 74.2 -60.9 -15.1 4.7 13.4 12.7 180 37 B W G > S+ 0 0 16 1,-0.3 3,-1.4 2,-0.2 205,-0.1 0.658 80.6 74.1 -72.7 -11.7 1.3 14.2 11.3 181 38 B T G X S+ 0 0 7 -3,-2.7 3,-1.5 -7,-0.3 -1,-0.3 0.731 74.8 81.0 -72.7 -14.8 0.1 14.7 14.9 182 39 B Q G X + 0 0 23 -3,-1.5 3,-2.7 1,-0.3 -1,-0.3 0.675 63.4 97.3 -60.3 -13.1 2.1 17.9 14.8 183 40 B R G < S+ 0 0 63 -3,-1.4 3,-0.4 1,-0.3 -1,-0.3 0.796 85.4 44.7 -41.5 -38.7 -1.1 19.3 13.0 184 41 B H G < S+ 0 0 51 -3,-1.5 -1,-0.3 1,-0.2 3,-0.2 0.398 100.9 67.6 -96.6 5.5 -2.2 20.7 16.4 185 42 B F X + 0 0 21 -3,-2.7 3,-1.1 1,-0.1 -1,-0.2 -0.079 52.6 125.4-120.8 38.9 1.0 22.2 17.6 186 43 B S T 3 S+ 0 0 116 -3,-0.4 3,-0.4 1,-0.2 -1,-0.1 0.660 77.7 49.9 -63.3 -26.1 1.6 25.1 15.2 187 44 B G T 3 S+ 0 0 71 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.452 87.7 89.1 -96.1 -0.3 1.9 27.7 18.0 188 45 B F S < S- 0 0 43 -3,-1.1 14,-0.4 1,-0.3 15,-0.3 0.409 91.7-117.5 -79.4 -2.7 4.4 25.6 20.0 189 46 B G S S+ 0 0 54 -3,-0.4 -1,-0.3 13,-0.1 2,-0.1 -0.592 70.1 5.9 93.6-164.2 7.6 27.0 18.5 190 47 B N + 0 0 107 -2,-0.2 9,-0.1 1,-0.1 -3,-0.0 -0.360 52.1 151.8 -69.0 133.5 10.2 24.9 16.5 191 48 B L + 0 0 20 -2,-0.1 -1,-0.1 -5,-0.0 6,-0.1 -0.053 29.2 126.2-138.8 20.3 9.4 21.2 15.7 192 49 B Y S S+ 0 0 157 4,-0.1 2,-0.3 1,-0.0 3,-0.0 0.760 79.0 7.4 -67.5 -21.4 11.4 20.8 12.5 193 50 B N S >> S- 0 0 53 1,-0.1 4,-1.9 0, 0.0 3,-0.6 -0.960 86.0 -91.0-152.5 169.8 13.3 17.8 13.7 194 51 B A H 3> S+ 0 0 17 -2,-0.3 4,-3.0 1,-0.3 5,-0.3 0.895 121.7 51.6 -52.5 -47.6 13.5 15.3 16.6 195 52 B E H 3> S+ 0 0 103 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.901 108.5 52.7 -62.1 -32.8 15.9 17.3 18.7 196 53 B A H <4 S+ 0 0 14 -3,-0.6 4,-0.2 2,-0.2 -1,-0.2 0.941 112.4 44.8 -66.5 -38.3 13.8 20.4 18.3 197 54 B I H >< S+ 0 0 4 -4,-1.9 3,-1.4 2,-0.2 -2,-0.2 0.939 112.6 48.6 -70.2 -46.9 10.7 18.5 19.6 198 55 B I H 3< S+ 0 0 90 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.822 115.8 48.4 -62.9 -28.7 12.5 16.8 22.5 199 56 B G T 3< S+ 0 0 63 -4,-1.7 2,-0.8 -5,-0.3 -1,-0.3 0.456 85.1 109.1 -90.5 -0.3 13.9 20.3 23.3 200 57 B N <> - 0 0 15 -3,-1.4 4,-2.0 -4,-0.2 -11,-0.1 -0.615 51.4-163.1 -87.7 113.6 10.5 22.1 23.1 201 58 B A H > S+ 0 0 76 -2,-0.8 4,-2.2 1,-0.2 5,-0.2 0.869 89.9 55.7 -62.4 -33.0 9.3 23.2 26.5 202 59 B N H > S+ 0 0 91 -14,-0.4 4,-2.2 2,-0.2 5,-0.3 0.952 106.0 49.1 -68.2 -47.5 5.8 23.7 25.1 203 60 B V H > S+ 0 0 0 -15,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.911 110.1 56.4 -55.0 -36.0 5.5 20.2 23.8 204 61 B A H X S+ 0 0 28 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.958 107.2 44.3 -60.7 -51.8 6.7 19.1 27.3 205 62 B A H X S+ 0 0 59 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.830 112.8 53.2 -67.1 -29.0 4.0 20.9 29.2 206 63 B H H X S+ 0 0 49 -4,-2.2 4,-3.1 -5,-0.2 5,-0.2 0.923 104.7 54.0 -73.6 -35.1 1.3 19.6 26.9 207 64 B G H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.893 108.3 51.0 -61.7 -33.6 2.5 16.0 27.3 208 65 B I H X S+ 0 0 37 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.926 111.2 47.7 -67.4 -43.7 2.1 16.5 31.0 209 66 B K H X S+ 0 0 144 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.905 111.5 49.2 -61.3 -48.6 -1.4 17.8 30.6 210 67 B V H >< S+ 0 0 44 -4,-3.1 3,-0.5 1,-0.2 4,-0.3 0.941 111.6 49.7 -60.3 -41.9 -2.4 15.0 28.3 211 68 B L H >< S+ 0 0 2 -4,-2.1 3,-1.6 -5,-0.2 4,-0.3 0.911 108.9 51.1 -64.7 -41.6 -1.0 12.4 30.7 212 69 B H H >< S+ 0 0 74 -4,-2.4 3,-1.0 1,-0.3 4,-0.4 0.697 94.4 75.0 -68.7 -15.6 -2.9 13.9 33.7 213 70 B G T << S+ 0 0 12 -4,-1.1 3,-0.4 -3,-0.5 4,-0.3 0.687 88.0 60.9 -67.4 -19.6 -6.0 13.8 31.5 214 71 B L T X> S+ 0 0 13 -3,-1.6 4,-1.5 -4,-0.3 3,-1.2 0.753 83.0 82.3 -75.2 -24.7 -6.0 10.0 32.2 215 72 B D H <> S+ 0 0 38 -3,-1.0 4,-1.8 -4,-0.3 -1,-0.2 0.793 84.2 57.9 -52.7 -38.4 -6.3 10.6 36.0 216 73 B R H 34 S+ 0 0 100 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.831 105.2 49.6 -66.7 -32.9 -10.1 11.1 35.8 217 74 B G H X4 S+ 0 0 0 -3,-1.2 3,-1.2 -4,-0.3 -1,-0.2 0.884 108.8 51.3 -77.1 -33.9 -10.6 7.6 34.2 218 75 B V H >< S+ 0 0 39 -4,-1.5 3,-0.7 1,-0.2 -2,-0.2 0.904 112.0 49.3 -58.8 -39.7 -8.5 5.9 36.9 219 76 B K T 3< S+ 0 0 159 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.335 123.7 30.4 -83.2 4.6 -10.6 7.7 39.4 220 77 B N T X S+ 0 0 71 -3,-1.2 3,-2.5 -5,-0.1 -1,-0.3 -0.230 70.5 164.4-157.5 45.4 -13.9 6.6 37.7 221 78 B M T < S+ 0 0 14 -3,-0.7 3,-0.3 1,-0.3 -3,-0.1 0.654 76.9 46.4 -55.1 -20.7 -13.0 3.2 36.1 222 79 B D T 3 S+ 0 0 103 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.499 114.9 43.9-102.8 -1.3 -16.6 2.2 35.6 223 80 B N <> + 0 0 89 -3,-2.5 4,-2.8 -6,-0.2 5,-0.2 -0.118 68.4 128.8-132.5 37.3 -17.9 5.5 34.0 224 81 B I H > + 0 0 4 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.925 69.5 55.7 -69.1 -42.0 -15.1 6.4 31.6 225 82 B A H 4 S+ 0 0 45 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.946 115.2 40.1 -53.2 -47.0 -17.3 7.0 28.5 226 83 B A H >4 S+ 0 0 50 1,-0.2 3,-2.0 2,-0.2 4,-0.4 0.968 111.5 56.5 -69.7 -47.2 -19.3 9.5 30.4 227 84 B T H 3< S+ 0 0 37 -4,-2.8 3,-0.3 1,-0.3 4,-0.3 0.829 111.9 42.6 -53.5 -35.1 -16.4 11.1 32.2 228 85 B Y T 3X S+ 0 0 3 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.3 0.419 82.8 102.6 -93.1 4.7 -14.6 11.9 29.0 229 86 B A H <> S+ 0 0 20 -3,-2.0 4,-2.6 -4,-0.3 -1,-0.2 0.895 83.2 46.3 -59.1 -39.6 -17.6 13.1 27.0 230 87 B D H > S+ 0 0 140 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.895 112.7 49.5 -72.6 -36.7 -16.8 16.8 27.3 231 88 B L H > S+ 0 0 40 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.848 110.7 52.5 -63.2 -33.5 -13.1 16.2 26.4 232 89 B S H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.959 109.6 47.4 -67.1 -49.8 -14.4 14.3 23.4 233 90 B T H X S+ 0 0 47 -4,-2.6 4,-2.7 -5,-0.2 5,-0.4 0.870 112.3 51.2 -57.4 -37.3 -16.6 17.1 22.3 234 91 B L H X>S+ 0 0 73 -4,-2.0 4,-2.2 2,-0.2 5,-1.9 0.954 109.6 47.4 -64.6 -52.1 -13.7 19.5 22.8 235 92 B H H <5S+ 0 0 37 -4,-2.5 6,-2.3 3,-0.2 5,-0.2 0.836 118.7 42.8 -60.6 -35.6 -11.2 17.6 20.7 236 93 B S H <5S+ 0 0 11 -4,-2.3 4,-0.3 4,-0.2 -2,-0.2 0.953 124.4 26.7 -76.6 -53.2 -13.8 17.1 17.9 237 94 B E H <5S+ 0 0 98 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.788 133.4 25.2 -89.9 -25.0 -15.5 20.5 17.6 238 95 B K T <5S+ 0 0 154 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.787 133.2 29.3-106.3 -37.3 -12.9 23.0 18.8 239 96 B L S - 0 0 1 -2,-0.5 3,-2.3 1,-0.2 4,-0.4 -0.425 21.3-141.9 -57.8 117.0 -8.3 13.1 14.3 243 100 B P T >> S+ 0 0 19 0, 0.0 3,-1.2 0, 0.0 4,-0.8 0.738 95.7 73.4 -63.4 -15.7 -9.2 10.6 16.9 244 101 B D H >> S+ 0 0 41 1,-0.2 4,-1.5 2,-0.2 3,-0.8 0.870 87.3 65.3 -61.4 -27.8 -6.9 8.0 15.4 245 102 B N H <> S+ 0 0 9 -3,-2.3 4,-2.7 1,-0.3 -1,-0.2 0.785 89.4 66.0 -65.4 -23.6 -4.1 10.1 16.9 246 103 B F H <> S+ 0 0 22 -3,-1.2 4,-1.8 -4,-0.4 -1,-0.3 0.887 102.6 46.5 -62.1 -36.9 -5.4 9.2 20.3 247 104 B K H < S+ 0 0 55 -4,-3.2 3,-2.1 1,-0.2 -2,-0.2 0.759 85.1 175.1 -77.5 -22.7 9.4 0.2 34.0 262 119 B G G >< + 0 0 13 -4,-1.9 3,-2.2 -5,-0.3 -1,-0.2 -0.258 69.3 4.3 58.9-133.9 11.7 -2.2 32.3 263 120 B H G 3 S+ 0 0 181 1,-0.3 -1,-0.3 -151,-0.2 -2,-0.1 0.719 126.9 66.6 -56.0 -26.9 11.4 -5.7 33.4 264 121 B A G < S+ 0 0 60 -3,-2.1 2,-2.1 1,-0.2 -1,-0.3 0.612 77.2 85.9 -73.7 -16.8 8.5 -4.7 35.7 265 122 B F S < S- 0 0 0 -3,-2.2 -1,-0.2 -7,-0.3 -3,-0.1 -0.426 73.3-176.4 -81.1 69.2 6.3 -3.9 32.7 266 123 B T > - 0 0 56 -2,-2.1 4,-2.9 1,-0.1 5,-0.2 -0.032 42.0-102.9 -65.7 170.6 5.1 -7.5 32.4 267 124 B A H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.925 126.3 49.9 -58.8 -41.8 2.9 -8.8 29.6 268 125 B E H > S+ 0 0 122 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.940 109.8 49.6 -61.2 -44.8 0.0 -8.7 32.2 269 126 B T H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.913 111.7 49.9 -56.0 -46.9 0.9 -5.2 33.2 270 127 B Q H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.942 108.4 52.3 -60.2 -43.3 0.9 -4.3 29.5 271 128 B G H X S+ 0 0 21 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.914 113.6 43.0 -63.8 -45.5 -2.5 -5.9 28.9 272 129 B A H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.919 115.6 47.9 -65.3 -44.3 -4.1 -4.0 31.7 273 130 B F H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.967 115.0 45.0 -65.3 -47.2 -2.5 -0.7 30.8 274 131 B Q H X S+ 0 0 23 -4,-3.2 4,-2.9 -5,-0.3 -1,-0.2 0.893 111.3 54.0 -59.2 -40.4 -3.4 -1.0 27.1 275 132 B K H X S+ 0 0 60 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.924 110.3 47.3 -60.4 -47.8 -6.9 -2.1 28.1 276 133 B F H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.938 113.6 47.0 -59.2 -46.1 -7.3 1.0 30.2 277 134 B L H X S+ 0 0 5 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.911 110.0 53.4 -66.7 -33.7 -5.9 3.2 27.4 278 135 B A H X S+ 0 0 61 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.866 108.6 50.0 -66.4 -36.9 -8.2 1.5 24.8 279 136 B V H X S+ 0 0 35 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.895 112.8 46.3 -69.7 -37.0 -11.2 2.3 27.0 280 137 B V H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.907 111.9 51.2 -64.8 -47.7 -10.2 5.9 27.4 281 138 B V H X S+ 0 0 14 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.937 107.4 53.0 -60.2 -43.0 -9.5 6.3 23.7 282 139 B S H X S+ 0 0 88 -4,-2.2 4,-0.6 1,-0.2 3,-0.3 0.941 111.6 47.0 -52.6 -49.4 -12.9 4.8 22.8 283 140 B A H >< S+ 0 0 3 -4,-1.6 3,-0.7 1,-0.2 4,-0.5 0.877 107.9 54.4 -62.1 -41.1 -14.5 7.4 25.1 284 141 B L H 3< S+ 0 0 21 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.793 112.9 44.4 -68.5 -24.9 -12.4 10.3 23.6 285 142 B G H >< S+ 0 0 24 -4,-1.7 3,-1.4 -3,-0.3 -1,-0.2 0.558 91.7 90.6 -90.6 -6.4 -13.7 9.3 20.1 286 143 B K T << S+ 0 0 104 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 0.812 82.0 49.0 -63.8 -34.7 -17.3 8.8 21.3 287 144 B Q T 3 S+ 0 0 46 -4,-0.5 2,-0.6 -3,-0.2 -1,-0.3 0.328 77.8 118.8 -93.3 11.7 -18.7 12.3 20.7 288 145 B Y < 0 0 19 -3,-1.4 40,-0.2 1,-0.2 -55,-0.1 -0.646 360.0 360.0 -77.6 118.6 -17.4 12.8 17.1 289 146 B H 0 0 126 -2,-0.6 -1,-0.2 38,-0.2 39,-0.1 0.196 360.0 360.0-140.4 360.0 -20.3 13.2 14.8 290 !* 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 0.0 291 1 C S 0 0 60 0, 0.0 2,-0.4 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 151.0 3.4 -5.4 -4.8 292 2 C L - 0 0 31 72,-0.2 2,-0.1 126,-0.1 123,-0.0 -0.680 360.0-148.3 -84.8 131.0 1.4 -5.4 -7.9 293 3 C S > - 0 0 52 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.374 34.4-102.0 -85.0 170.7 1.9 -8.2 -10.4 294 4 C D H > S+ 0 0 133 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.913 127.6 56.9 -55.3 -39.5 1.4 -7.8 -14.2 295 5 C K H > S+ 0 0 162 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 107.9 45.3 -54.3 -48.2 -1.9 -9.6 -13.6 296 6 C D H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.917 112.9 50.2 -63.9 -43.5 -2.9 -6.9 -11.1 297 7 C K H X S+ 0 0 36 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.909 110.7 49.6 -63.5 -39.5 -1.7 -4.1 -13.3 298 8 C A H X S+ 0 0 57 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.897 111.4 49.5 -64.8 -45.8 -3.7 -5.5 -16.3 299 9 C A H X S+ 0 0 28 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.898 112.8 45.2 -65.3 -42.3 -6.8 -5.8 -14.1 300 10 C V H X S+ 0 0 3 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.945 115.3 47.3 -65.8 -45.1 -6.7 -2.3 -12.8 301 11 C R H X S+ 0 0 109 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.951 112.6 50.2 -60.7 -47.6 -6.0 -0.8 -16.2 302 12 C A H X S+ 0 0 48 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.920 113.7 45.4 -55.6 -49.4 -8.8 -2.9 -17.7 303 13 C L H X S+ 0 0 7 -4,-2.6 4,-2.7 1,-0.2 3,-0.4 0.933 112.1 49.4 -63.6 -43.9 -11.3 -1.7 -15.0 304 14 C W H X S+ 0 0 47 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.888 105.2 59.4 -64.6 -29.8 -10.3 2.0 -15.2 305 15 C S H < S+ 0 0 93 -4,-2.2 4,-0.2 -5,-0.3 -1,-0.2 0.901 113.0 39.7 -59.8 -39.0 -10.6 1.8 -19.0 306 16 C K H < S+ 0 0 129 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.840 130.1 24.7 -77.3 -43.7 -14.3 0.8 -18.4 307 17 C I H >< S+ 0 0 1 -4,-2.7 3,-2.2 1,-0.1 -3,-0.2 0.539 90.1 97.3-108.2 -6.3 -15.2 3.1 -15.4 308 18 C G G >< S+ 0 0 20 -4,-2.5 3,-2.1 -5,-0.3 4,-0.2 0.809 74.0 67.2 -55.7 -34.5 -12.8 6.0 -15.7 309 19 C K G 3 S+ 0 0 193 1,-0.3 -1,-0.3 -4,-0.2 3,-0.2 0.687 100.5 53.1 -61.1 -14.5 -15.4 8.2 -17.5 310 20 C S G <> S+ 0 0 40 -3,-2.2 4,-2.7 1,-0.2 -1,-0.3 0.219 72.1 115.7-103.8 16.7 -17.3 8.2 -14.2 311 21 C A H <> S+ 0 0 14 -3,-2.1 4,-2.8 1,-0.2 5,-0.2 0.865 72.9 53.7 -52.6 -43.6 -14.5 9.3 -12.0 312 22 C D H > S+ 0 0 80 -3,-0.2 4,-2.0 -4,-0.2 -1,-0.2 0.944 112.1 43.1 -61.6 -48.4 -16.2 12.6 -11.0 313 23 C A H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.875 113.3 52.8 -65.8 -39.0 -19.4 10.9 -9.8 314 24 C I H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.930 108.3 51.2 -61.4 -43.0 -17.4 8.2 -8.1 315 25 C G H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.904 110.5 47.9 -59.4 -43.9 -15.3 10.8 -6.2 316 26 C N H X S+ 0 0 41 -4,-2.0 4,-2.3 -5,-0.2 26,-0.4 0.963 115.7 45.0 -61.8 -47.8 -18.5 12.6 -5.0 317 27 C D H X S+ 0 0 30 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.897 113.6 49.2 -62.1 -45.4 -20.0 9.4 -3.9 318 28 C A H X S+ 0 0 2 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.909 113.7 43.4 -65.7 -47.2 -16.9 8.1 -2.2 319 29 C L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.847 112.2 55.6 -66.2 -37.2 -16.1 11.3 -0.2 320 30 C S H X S+ 0 0 10 -4,-2.3 4,-2.0 -5,-0.3 5,-0.2 0.917 110.2 44.6 -60.8 -42.9 -19.8 11.6 0.7 321 31 C R H X>S+ 0 0 7 -4,-2.1 4,-4.0 1,-0.2 5,-0.6 0.931 110.2 56.4 -67.9 -42.2 -19.8 8.1 2.2 322 32 C M H X5S+ 0 0 11 -4,-2.1 4,-2.1 1,-0.2 7,-0.3 0.920 111.9 40.5 -53.3 -50.3 -16.5 8.7 4.0 323 33 C I H <5S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.787 121.2 43.5 -75.7 -30.2 -17.8 11.8 5.8 324 34 C V H <5S+ 0 0 54 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.907 123.6 33.5 -75.6 -47.3 -21.2 10.2 6.6 325 35 C V H <5S+ 0 0 25 -4,-4.0 -3,-0.2 1,-0.3 -2,-0.2 0.803 131.1 32.9 -83.2 -28.4 -20.1 6.7 7.6 326 36 C Y ><< + 0 0 40 -4,-2.1 3,-2.6 -5,-0.6 4,-0.3 -0.589 68.7 174.7-127.1 70.6 -16.8 7.8 9.2 327 37 C P G > S+ 0 0 31 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.710 70.1 74.4 -57.6 -21.9 -17.6 11.2 10.7 328 38 C Q G > S+ 0 0 57 1,-0.3 3,-1.9 -40,-0.2 4,-0.1 0.833 84.0 67.7 -62.3 -25.8 -14.2 11.5 12.3 329 39 C T G X S+ 0 0 2 -3,-2.6 3,-1.6 -7,-0.3 -1,-0.3 0.711 80.3 79.2 -68.2 -12.5 -12.6 12.2 8.9 330 40 C K G X + 0 0 58 -3,-1.8 3,-2.1 -4,-0.3 -1,-0.3 0.709 69.2 84.6 -67.0 -14.9 -14.5 15.5 8.9 331 41 C T G X S+ 0 0 5 -3,-1.9 3,-0.6 1,-0.3 -1,-0.3 0.752 87.1 54.2 -58.2 -25.9 -11.7 16.8 11.2 332 42 C Y G < S+ 0 0 21 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.449 106.8 50.2 -87.2 -3.0 -9.7 17.5 8.0 333 43 C F G X + 0 0 24 -3,-2.1 3,-2.5 -4,-0.2 -1,-0.2 0.210 66.7 122.8-120.8 18.9 -12.5 19.6 6.4 334 44 C S T < + 0 0 52 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.649 68.1 66.5 -50.9 -19.0 -13.2 21.9 9.4 335 45 C H T 3 S+ 0 0 127 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.547 88.0 79.1 -88.3 -4.2 -12.4 24.8 7.0 336 46 C W < - 0 0 41 -3,-2.5 3,-0.4 1,-0.1 -3,-0.0 -0.821 67.9-150.6 -99.6 144.6 -15.5 24.2 4.8 337 47 C P S S+ 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.604 90.6 54.1 -84.8 -14.4 -19.0 25.3 5.9 338 48 C D + 0 0 31 2,-0.1 2,-2.1 1,-0.0 8,-0.4 -0.445 56.1 160.1-122.6 59.4 -20.7 22.5 4.1 339 49 C V + 0 0 29 -3,-0.4 -6,-0.0 -2,-0.3 -9,-0.0 -0.532 42.0 119.9 -87.0 73.8 -19.2 19.2 5.2 340 50 C T S > S- 0 0 75 -2,-2.1 3,-1.8 -16,-0.0 6,-0.3 -0.922 74.4 -80.2-134.9 151.8 -22.3 17.3 4.0 341 51 C P T 3 S+ 0 0 75 0, 0.0 -24,-0.1 0, 0.0 -25,-0.1 -0.305 113.1 3.1 -62.6 129.1 -22.8 14.6 1.4 342 52 C G T 3 S+ 0 0 36 -26,-0.4 -25,-0.1 1,-0.2 -3,-0.1 0.532 91.8 155.1 73.3 7.3 -22.9 15.9 -2.1 343 53 C S <> - 0 0 7 -3,-1.8 4,-3.2 -5,-0.1 5,-0.3 -0.089 60.8-104.1 -57.1 160.3 -22.2 19.4 -1.1 344 54 C P H > S+ 0 0 102 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.934 124.2 46.1 -53.2 -45.6 -20.6 21.8 -3.6 345 55 C H H > S+ 0 0 76 2,-0.2 4,-2.1 -7,-0.2 5,-0.2 0.876 114.7 44.8 -65.1 -44.1 -17.3 21.5 -1.8 346 56 C I H > S+ 0 0 0 -8,-0.4 4,-2.3 -6,-0.3 -1,-0.2 0.930 113.7 51.9 -70.1 -39.6 -17.5 17.7 -1.5 347 57 C K H X S+ 0 0 112 -4,-3.2 4,-1.3 2,-0.2 -2,-0.2 0.952 113.2 42.1 -56.6 -50.3 -18.6 17.3 -5.1 348 58 C A H X S+ 0 0 55 -4,-2.3 4,-1.3 -5,-0.3 3,-0.3 0.910 114.8 50.9 -69.7 -38.2 -15.8 19.4 -6.5 349 59 C H H X S+ 0 0 59 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.859 102.9 60.4 -65.5 -34.4 -13.2 17.8 -4.2 350 60 C G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.861 100.5 55.3 -63.2 -35.1 -14.4 14.4 -5.3 351 61 C K H X S+ 0 0 98 -4,-1.3 4,-1.6 -3,-0.3 -1,-0.2 0.901 110.4 45.4 -57.9 -45.2 -13.4 15.3 -8.8 352 62 C K H X S+ 0 0 169 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.905 110.0 53.1 -71.0 -43.7 -9.9 16.1 -7.7 353 63 C V H X S+ 0 0 33 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.937 112.3 44.6 -56.4 -46.2 -9.5 13.0 -5.5 354 64 C M H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.3 -1,-0.2 0.840 106.6 59.1 -73.8 -24.4 -10.4 10.7 -8.4 355 65 C G H X S+ 0 0 38 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.863 105.7 52.8 -63.0 -33.4 -8.1 12.8 -10.7 356 66 C G H X S+ 0 0 17 -4,-1.9 4,-2.3 2,-0.2 -2,-0.3 0.918 108.7 46.2 -63.7 -45.6 -5.6 11.6 -8.1 357 67 C I H X S+ 0 0 17 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.887 109.7 56.1 -67.2 -32.1 -6.7 8.0 -8.6 358 68 C A H X S+ 0 0 31 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.931 106.8 49.1 -62.2 -46.1 -6.5 8.6 -12.3 359 69 C L H X S+ 0 0 60 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.912 109.0 53.8 -55.2 -47.5 -2.9 9.7 -12.0 360 70 C A H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.926 105.8 51.1 -61.2 -39.9 -2.1 6.6 -9.9 361 71 C V H >< S+ 0 0 12 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.940 111.7 48.6 -62.1 -39.0 -3.5 4.2 -12.5 362 72 C S H 3< S+ 0 0 74 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.725 118.6 39.8 -70.4 -23.1 -1.3 6.0 -15.1 363 73 C K T >< S+ 0 0 97 -4,-1.7 3,-2.7 -5,-0.1 7,-0.3 0.078 77.3 128.5-108.7 20.6 1.7 5.8 -12.8 364 74 C I T < + 0 0 5 -3,-1.1 3,-0.5 1,-0.3 -72,-0.2 0.779 65.6 61.5 -54.4 -28.3 0.9 2.2 -11.6 365 75 C D T 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.2 2,-0.1 0.712 123.8 15.9 -75.1 -14.3 4.4 1.0 -12.4 366 76 C D <> + 0 0 82 -3,-2.7 4,-2.4 -6,-0.2 -1,-0.3 -0.512 66.7 166.0-157.3 81.0 5.9 3.4 -9.9 367 77 C L H > S+ 0 0 18 -3,-0.5 4,-3.2 1,-0.2 5,-0.1 0.871 75.1 61.7 -72.5 -36.7 3.4 4.8 -7.5 368 78 C K H 4 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.2 7,-0.1 0.931 115.2 34.1 -51.6 -47.3 6.0 6.2 -5.1 369 79 C T H >4 S+ 0 0 75 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.937 117.2 54.5 -74.9 -44.7 7.4 8.5 -7.8 370 80 C G H 3< S+ 0 0 14 -4,-2.4 3,-0.3 -7,-0.3 -2,-0.2 0.848 116.4 35.7 -56.2 -43.5 4.1 9.1 -9.5 371 81 C L T 3X S+ 0 0 3 -4,-3.2 4,-2.1 1,-0.2 -1,-0.3 0.160 80.3 115.7-102.0 21.0 2.3 10.3 -6.4 372 82 C M H <> S+ 0 0 61 -3,-1.3 4,-2.6 1,-0.2 5,-0.2 0.893 76.8 49.2 -57.8 -44.1 5.2 12.2 -4.7 373 83 C E H > S+ 0 0 125 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.925 111.9 49.3 -63.4 -40.1 3.6 15.7 -4.9 374 84 C L H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.841 110.8 51.5 -67.4 -32.9 0.4 14.4 -3.5 375 85 C S H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.915 109.3 49.2 -68.4 -43.2 2.4 12.7 -0.7 376 86 C E H X>S+ 0 0 52 -4,-2.6 4,-3.0 -5,-0.2 5,-0.8 0.968 113.4 47.3 -61.4 -44.1 4.2 16.0 0.1 377 87 C Q H X>S+ 0 0 93 -4,-2.5 5,-2.3 -5,-0.2 4,-1.1 0.937 115.3 43.2 -66.9 -42.0 0.9 17.8 0.2 378 88 C H H <>S+ 0 0 42 -4,-2.5 6,-1.8 3,-0.2 5,-0.5 0.839 123.1 40.4 -73.2 -29.6 -0.9 15.3 2.4 379 89 C A H <5S+ 0 0 4 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.920 127.7 24.4 -79.7 -50.4 2.2 15.0 4.6 380 90 C Y H <5S+ 0 0 137 -4,-3.0 -3,-0.2 -5,-0.4 -2,-0.1 0.845 132.9 28.6 -93.1 -32.5 3.5 18.6 5.0 381 91 C K T < - 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0 0 58 -2,-2.2 4,-3.0 1,-0.1 5,-0.2 -0.096 47.9 -98.4 -68.8 174.4 -26.9 5.1 0.1 557 124 D A H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.884 127.0 47.2 -58.8 -45.1 -24.4 6.6 2.4 558 125 D E H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 112.0 50.3 -67.3 -36.7 -26.9 6.5 5.3 559 126 D T H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.939 110.7 48.3 -65.9 -46.3 -27.8 2.9 4.4 560 127 D Q H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.879 109.4 54.9 -61.9 -34.0 -24.2 1.7 4.3 561 128 D G H X S+ 0 0 18 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.966 112.0 41.8 -65.2 -47.7 -23.6 3.5 7.7 562 129 D A H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.951 116.1 48.5 -63.5 -46.5 -26.5 1.6 9.4 563 130 D F H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.935 113.7 45.8 -62.3 -44.5 -25.7 -1.7 7.8 564 131 D Q H X S+ 0 0 26 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.822 109.6 56.9 -65.8 -31.4 -21.9 -1.5 8.7 565 132 D K H X S+ 0 0 65 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.927 107.4 48.4 -63.8 -45.9 -22.9 -0.4 12.2 566 133 D F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.939 113.1 45.3 -58.3 -52.3 -24.9 -3.6 12.6 567 134 D L H X S+ 0 0 5 -4,-2.1 4,-3.3 1,-0.2 5,-0.2 0.908 108.7 58.7 -62.0 -35.9 -22.2 -5.8 11.4 568 135 D A H X S+ 0 0 57 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.896 108.2 45.2 -58.5 -44.9 -19.7 -3.9 13.5 569 136 D V H X S+ 0 0 33 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.916 114.0 48.5 -67.5 -40.3 -21.6 -4.8 16.6 570 137 D V H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.905 110.7 51.6 -68.1 -36.4 -22.1 -8.4 15.6 571 138 D V H X S+ 0 0 15 -4,-3.3 4,-1.4 -5,-0.2 -1,-0.2 0.920 108.4 51.1 -65.6 -38.0 -18.3 -8.6 14.8 572 139 D S H X S+ 0 0 73 -4,-2.2 4,-0.6 -5,-0.2 3,-0.4 0.954 110.8 50.0 -59.3 -42.9 -17.6 -7.3 18.3 573 140 D A H >X S+ 0 0 2 -4,-2.1 3,-0.8 1,-0.2 4,-0.5 0.898 107.0 52.8 -63.7 -41.5 -19.8 -9.9 19.8 574 141 D L H 3< S+ 0 0 23 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.768 114.3 43.1 -69.7 -23.5 -18.3 -12.8 17.8 575 142 D G H >< S+ 0 0 26 -4,-1.4 3,-1.1 -3,-0.4 -1,-0.2 0.454 92.3 88.1 -99.1 -0.1 -14.8 -11.8 19.1 576 143 D K H << S+ 0 0 125 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.1 0.853 83.5 50.3 -70.2 -35.5 -15.9 -11.1 22.7 577 144 D Q T 3< S+ 0 0 82 -4,-0.5 2,-0.7 -3,-0.2 -1,-0.2 0.169 81.0 114.8 -92.4 21.8 -15.5 -14.7 24.1 578 145 D Y < 0 0 18 -3,-1.1 -540,-0.2 1,-0.1 -55,-0.1 -0.775 360.0 360.0 -85.9 117.5 -11.9 -15.1 22.8 579 146 D H 0 0 149 -2,-0.7 -1,-0.1 -542,-0.2 -541,-0.1 0.415 360.0 360.0-136.7 360.0 -9.5 -15.3 25.7