==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 31-OCT-91 1HGB . COMPND 2 MOLECULE: HEMOGLOBIN (AQUO MET) (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.LIDDINGTON,Z.DEREWENDA,E.DODSON,R.HUBBARD,G.DODSON . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 58.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 1 2 0 0 0 1 0 2 0 0 5 5 0 3 4 4 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 1 A V 0 0 154 0, 0.0 2,-0.4 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0 135.3 18.6 -2.1 2.6 2 2 A L - 0 0 21 71,-0.2 122,-0.0 125,-0.1 0, 0.0 -0.685 360.0-144.8 -82.2 130.1 18.6 0.4 -0.3 3 3 A S >> - 0 0 45 -2,-0.4 4,-2.3 1,-0.1 3,-0.5 -0.525 32.1 -97.5 -90.8 162.8 19.2 -1.1 -3.6 4 4 A P H 3> S+ 0 0 101 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.816 128.1 50.2 -43.4 -41.8 21.2 0.5 -6.4 5 5 A A H 3> S+ 0 0 52 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.886 107.0 52.2 -67.3 -42.3 17.8 1.5 -7.9 6 6 A D H <> S+ 0 0 15 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.877 110.5 49.0 -60.3 -43.9 16.5 3.0 -4.6 7 7 A K H X S+ 0 0 57 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.892 112.1 48.9 -64.4 -40.5 19.7 5.1 -4.4 8 8 A T H X S+ 0 0 94 -4,-1.9 4,-2.5 -5,-0.3 5,-0.2 0.955 111.4 48.7 -60.4 -54.3 19.3 6.2 -8.0 9 9 A N H X S+ 0 0 38 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.848 115.7 44.2 -52.8 -45.5 15.7 7.2 -7.5 10 10 A V H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.837 109.8 52.5 -72.4 -39.3 16.5 9.1 -4.3 11 11 A K H X S+ 0 0 101 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.926 117.6 41.7 -62.8 -41.5 19.6 10.9 -5.6 12 12 A A H X S+ 0 0 59 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.960 115.3 47.7 -67.3 -53.4 17.5 12.1 -8.5 13 13 A A H X S+ 0 0 4 -4,-2.9 4,-1.6 -5,-0.2 3,-0.5 0.965 117.2 42.9 -53.4 -57.2 14.3 12.9 -6.5 14 14 A W H X S+ 0 0 16 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.829 107.8 61.2 -56.8 -35.8 16.3 14.8 -3.9 15 15 A G H < S+ 0 0 53 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.908 104.2 50.2 -52.1 -51.9 18.4 16.5 -6.7 16 16 A K H < S+ 0 0 115 -4,-2.1 -1,-0.3 -3,-0.5 3,-0.2 0.835 102.0 59.5 -54.0 -48.7 15.1 17.9 -8.0 17 17 A V H >< S+ 0 0 1 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.973 80.9 133.6 -44.5 -59.3 14.2 19.3 -4.5 18 18 A G G >< + 0 0 41 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 -0.308 67.7 17.6 55.1-118.2 17.4 21.2 -4.8 19 19 A A G 3 S+ 0 0 92 1,-0.2 -1,-0.3 -3,-0.2 4,-0.2 0.334 124.7 57.6 -66.7 -0.6 17.0 24.8 -3.8 20 20 A H G <> + 0 0 79 -3,-1.4 4,-3.0 -4,-0.1 3,-0.4 0.497 63.7 107.4-111.6 -8.2 13.7 24.2 -2.0 21 21 A A H <> S+ 0 0 6 -3,-1.3 4,-2.9 1,-0.3 5,-0.3 0.776 85.9 50.3 -37.3 -37.4 14.7 21.6 0.6 22 22 A G H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.987 111.6 45.9 -65.5 -56.7 14.4 24.4 3.2 23 23 A E H > S+ 0 0 111 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.843 117.8 45.8 -49.6 -46.3 11.0 25.4 1.9 24 24 A Y H X S+ 0 0 20 -4,-3.0 4,-3.3 2,-0.2 5,-0.2 0.929 108.5 52.2 -69.2 -49.3 10.0 21.7 1.9 25 25 A G H X S+ 0 0 3 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.965 113.7 47.0 -51.5 -54.1 11.4 20.7 5.3 26 26 A A H X S+ 0 0 13 -4,-2.5 4,-2.2 -5,-0.3 3,-0.3 0.930 112.4 48.5 -52.8 -54.3 9.4 23.7 6.8 27 27 A E H X S+ 0 0 35 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.874 109.8 51.9 -56.4 -41.8 6.2 22.7 4.9 28 28 A A H X S+ 0 0 0 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.849 107.8 53.2 -64.7 -34.4 6.5 19.1 5.9 29 29 A L H X S+ 0 0 2 -4,-1.8 4,-2.2 -3,-0.3 -2,-0.2 0.912 108.9 48.9 -65.8 -46.6 6.8 20.3 9.6 30 30 A E H X S+ 0 0 47 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.884 110.8 51.1 -61.2 -41.1 3.6 22.4 9.2 31 31 A R H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.911 110.7 48.6 -59.9 -50.0 1.8 19.3 7.7 32 32 A M H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 7,-0.3 0.839 110.1 50.5 -59.3 -42.9 3.0 17.2 10.6 33 33 A F H < S+ 0 0 12 -4,-2.2 7,-0.2 1,-0.2 -2,-0.2 0.892 115.9 42.9 -66.7 -39.9 1.8 19.7 13.3 34 34 A L H < S+ 0 0 76 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.855 120.8 38.5 -74.3 -41.1 -1.6 20.0 11.8 35 35 A S H < S+ 0 0 18 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.802 128.2 28.7 -78.8 -37.3 -2.2 16.3 11.0 36 36 A F >< - 0 0 35 -4,-2.4 3,-2.4 -5,-0.2 -1,-0.3 -0.682 67.2-179.5-129.5 76.3 -0.7 14.8 14.1 37 37 A P G > S+ 0 0 41 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.540 75.6 73.0 -52.5 -19.7 -1.0 17.4 16.9 38 38 A T G > S+ 0 0 37 1,-0.2 3,-1.2 2,-0.2 -5,-0.1 0.771 85.1 68.1 -67.6 -24.6 0.7 15.1 19.4 39 39 A T G X S+ 0 0 2 -3,-2.4 3,-2.0 -7,-0.3 -1,-0.2 0.776 83.9 70.5 -63.3 -30.7 3.9 15.9 17.6 40 40 A K G X S+ 0 0 63 -3,-0.9 3,-2.5 1,-0.3 -1,-0.3 0.787 77.1 83.6 -60.4 -23.1 3.7 19.5 18.9 41 41 A T G < S+ 0 0 8 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.628 88.2 52.0 -58.0 -14.0 4.5 18.0 22.3 42 42 A Y G < S+ 0 0 26 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.498 107.9 52.1-101.3 -4.3 8.2 18.2 21.3 43 43 A F X + 0 0 32 -3,-2.5 3,-1.5 -4,-0.2 -1,-0.2 -0.292 58.0 137.4-126.4 48.8 8.1 21.8 20.3 44 44 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.848 74.4 55.8 -57.6 -40.0 6.6 23.6 23.3 45 45 A H T 3 S+ 0 0 120 -3,-0.2 2,-0.3 2,-0.1 -2,-0.1 0.292 95.1 93.9 -74.7 -1.1 9.2 26.4 22.9 46 46 A F S < S- 0 0 42 -3,-1.5 2,-0.7 -6,-0.2 -3,-0.1 -0.668 78.4-121.0-105.1 157.9 8.3 27.2 19.3 47 47 A D - 0 0 79 -2,-0.3 8,-0.2 1,-0.1 7,-0.2 -0.882 32.4-177.1 -87.1 116.6 6.1 29.6 17.5 48 48 A L + 0 0 56 -2,-0.7 2,-0.2 -4,-0.1 -1,-0.1 -0.203 36.3 124.9-116.1 35.0 3.9 27.0 15.6 49 49 A S S > S- 0 0 63 1,-0.1 3,-1.6 0, 0.0 2,-0.6 -0.495 78.0 -81.2 -88.5 160.6 1.9 29.5 13.7 50 50 A H T 3 S+ 0 0 166 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.551 121.3 15.6 -67.3 111.0 1.6 29.5 9.9 51 51 A G T 3 S+ 0 0 28 -2,-0.6 -1,-0.3 1,-0.3 5,-0.2 0.037 82.1 164.4 110.1 -16.6 4.8 31.3 8.7 52 52 A S <> - 0 0 9 -3,-1.6 4,-1.4 1,-0.2 -1,-0.3 -0.023 34.1-147.9 -30.2 136.3 6.8 31.0 12.0 53 53 A A H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.524 98.7 64.4 -86.6 -15.5 10.4 31.7 11.0 54 54 A Q H > S+ 0 0 83 2,-0.2 4,-1.8 -7,-0.2 -1,-0.2 0.798 105.5 43.1 -75.9 -32.4 11.3 29.3 13.8 55 55 A V H > S+ 0 0 12 -8,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.931 113.8 50.1 -78.5 -47.1 9.6 26.5 11.8 56 56 A K H X S+ 0 0 112 -4,-1.4 4,-1.6 1,-0.2 -30,-0.2 0.913 113.3 48.5 -50.7 -53.0 11.1 27.7 8.5 57 57 A G H X S+ 0 0 17 -4,-2.2 4,-1.9 1,-0.2 3,-0.4 0.922 113.4 43.7 -55.6 -54.0 14.5 27.7 10.2 58 58 A H H X S+ 0 0 48 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.853 110.1 59.1 -63.2 -31.9 14.2 24.3 11.7 59 59 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.856 102.4 52.2 -65.3 -34.4 12.8 23.1 8.4 60 60 A K H X S+ 0 0 115 -4,-1.6 4,-3.1 -3,-0.4 5,-0.3 0.948 110.5 49.4 -62.8 -49.6 16.0 24.1 6.7 61 61 A K H X S+ 0 0 136 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.941 109.4 49.2 -55.1 -51.6 18.0 22.2 9.3 62 62 A V H X S+ 0 0 32 -4,-3.0 4,-1.5 1,-0.2 3,-0.4 0.937 113.4 49.0 -55.4 -46.3 15.9 19.0 8.9 63 63 A A H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.875 106.9 53.7 -61.1 -44.6 16.4 19.3 5.1 64 64 A D H X S+ 0 0 91 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.761 107.1 52.8 -63.8 -28.5 20.1 19.8 5.2 65 65 A A H X S+ 0 0 25 -4,-1.5 4,-1.3 -3,-0.4 -1,-0.2 0.861 110.6 47.0 -74.0 -38.9 20.4 16.6 7.3 66 66 A L H X S+ 0 0 12 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.908 110.9 51.6 -70.9 -43.2 18.5 14.7 4.7 67 67 A T H X S+ 0 0 55 -4,-2.8 4,-2.3 1,-0.3 -2,-0.2 0.909 112.9 45.9 -58.1 -41.8 20.6 16.2 1.9 68 68 A N H X S+ 0 0 62 -4,-1.6 4,-1.2 2,-0.2 -1,-0.3 0.782 109.9 53.6 -70.7 -31.2 23.7 15.1 3.8 69 69 A A H < S+ 0 0 0 -4,-1.3 6,-0.2 2,-0.2 -2,-0.2 0.899 111.9 45.7 -70.1 -40.7 22.0 11.7 4.4 70 70 A V H >< S+ 0 0 10 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.880 108.7 56.2 -66.0 -40.3 21.6 11.5 0.6 71 71 A A H 3< S+ 0 0 55 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.846 117.6 34.7 -61.7 -33.0 25.1 12.6 0.0 72 72 A H T >< S+ 0 0 92 -4,-1.2 3,-3.3 -3,-0.2 -1,-0.3 -0.160 73.4 144.5-116.7 38.0 26.4 9.7 2.2 73 73 A V G X S+ 0 0 11 -3,-1.3 3,-0.5 1,-0.3 -71,-0.2 0.711 72.0 53.8 -47.3 -31.0 23.8 7.1 1.2 74 74 A D G 3 S+ 0 0 120 1,-0.2 -1,-0.3 -3,-0.2 -4,-0.1 0.415 120.7 31.5 -89.5 3.2 26.4 4.3 1.5 75 75 A D G <> + 0 0 72 -3,-3.3 4,-2.3 -6,-0.2 -1,-0.2 -0.325 69.3 143.0-155.8 58.2 27.4 5.3 5.0 76 76 A M H <> + 0 0 17 -3,-0.5 4,-2.6 2,-0.2 5,-0.1 0.854 68.7 63.3 -71.1 -38.7 24.2 6.7 6.6 77 77 A P H 4 S+ 0 0 83 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.866 114.7 32.7 -49.2 -48.5 25.0 5.2 10.1 78 78 A N H >4 S+ 0 0 102 2,-0.2 3,-0.9 1,-0.2 4,-0.4 0.899 114.1 58.4 -78.4 -44.4 28.1 7.3 10.3 79 79 A A H 3< S+ 0 0 29 -4,-2.3 -1,-0.2 -7,-0.3 -3,-0.2 0.823 120.7 28.6 -58.2 -35.3 26.9 10.4 8.4 80 80 A L T >X S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.1 3,-0.6 0.247 84.8 110.2-108.0 7.6 24.0 10.8 10.9 81 81 A S H <> S+ 0 0 40 -3,-0.9 4,-2.3 -4,-0.3 5,-0.2 0.853 78.8 55.3 -51.8 -40.2 25.5 9.3 14.1 82 82 A A H 3> S+ 0 0 74 -4,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.909 110.4 43.8 -56.7 -47.6 25.7 12.8 15.6 83 83 A L H <> S+ 0 0 59 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.790 111.5 55.2 -70.1 -32.1 22.0 13.4 15.1 84 84 A S H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 55,-0.2 0.886 108.4 47.7 -66.5 -45.7 21.2 9.9 16.3 85 85 A D H X S+ 0 0 54 -4,-2.3 4,-3.9 2,-0.2 5,-0.3 0.930 114.6 48.2 -56.6 -50.5 23.0 10.5 19.6 86 86 A L H X>S+ 0 0 60 -4,-1.8 4,-2.5 -5,-0.2 5,-1.8 0.946 116.1 39.5 -57.3 -56.8 21.2 13.8 20.0 87 87 A H H <>S+ 0 0 42 -4,-2.3 5,-1.7 3,-0.2 6,-0.9 0.903 122.4 45.2 -65.3 -40.9 17.7 12.6 19.2 88 88 A A H <5S+ 0 0 8 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.865 127.3 24.6 -69.8 -42.8 18.4 9.4 21.3 89 89 A H H <5S+ 0 0 94 -4,-3.9 -3,-0.2 -5,-0.2 -2,-0.2 0.775 131.0 23.3-100.0 -33.7 20.1 11.1 24.2 90 90 A K T <5S+ 0 0 146 -4,-2.5 -3,-0.2 -5,-0.3 -4,-0.1 0.861 128.7 31.1 -98.6 -58.9 18.9 14.7 24.6 91 91 A L T - 0 0 8 -2,-0.4 3,-2.6 1,-0.2 4,-0.3 -0.402 25.0-125.4 -60.6 128.4 9.3 8.6 20.6 95 95 A P T >> S+ 0 0 30 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.636 103.3 69.5 -44.1 -30.7 10.2 6.5 17.7 96 96 A V H 3> S+ 0 0 55 1,-0.3 4,-0.8 2,-0.2 3,-0.3 0.731 88.8 63.1 -68.5 -22.1 6.7 6.5 16.4 97 97 A N H <> S+ 0 0 12 -3,-2.6 4,-1.8 1,-0.2 -1,-0.3 0.689 89.2 67.6 -78.3 -16.3 6.9 10.2 15.4 98 98 A F H <> S+ 0 0 18 -3,-1.1 4,-1.9 -4,-0.3 -1,-0.2 0.854 99.3 52.5 -67.1 -38.5 9.7 9.5 12.9 99 99 A K H X S+ 0 0 101 -4,-0.6 4,-2.0 -3,-0.3 -1,-0.2 0.809 108.8 50.0 -66.4 -33.7 7.1 7.6 10.8 100 100 A L H X S+ 0 0 41 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.891 110.3 47.2 -73.4 -40.5 4.7 10.6 10.9 101 101 A L H X S+ 0 0 39 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.904 111.1 53.6 -67.4 -40.9 7.3 13.1 9.8 102 102 A S H X S+ 0 0 12 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.920 107.0 50.9 -55.5 -49.3 8.4 10.7 7.0 103 103 A H H X S+ 0 0 15 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.933 111.1 49.2 -56.3 -47.6 4.7 10.5 5.8 104 104 A C H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.836 108.9 51.7 -61.5 -34.8 4.6 14.3 5.8 105 105 A L H X S+ 0 0 10 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.944 111.3 47.8 -66.6 -49.9 7.9 14.6 3.8 106 106 A L H X S+ 0 0 3 -4,-2.4 4,-2.0 1,-0.3 -2,-0.2 0.885 112.2 49.6 -53.4 -48.9 6.5 12.2 1.2 107 107 A V H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.3 0.820 112.7 47.2 -63.2 -40.3 3.3 14.2 1.1 108 108 A T H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.851 112.6 49.1 -69.5 -37.7 5.3 17.4 0.6 109 109 A L H X S+ 0 0 4 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.891 111.0 50.4 -68.1 -37.8 7.4 15.8 -2.1 110 110 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.790 108.5 51.9 -67.6 -38.7 4.4 14.5 -3.9 111 111 A A H < S+ 0 0 10 -4,-1.4 151,-0.2 1,-0.2 -1,-0.2 0.760 120.7 33.4 -67.5 -32.4 2.7 17.9 -3.8 112 112 A H H < S+ 0 0 39 -4,-1.3 -2,-0.2 149,-0.1 -3,-0.2 0.775 116.2 50.0 -98.5 -35.8 5.8 19.6 -5.3 113 113 A L X + 0 0 8 -4,-2.8 4,-2.9 1,-0.2 3,-0.2 -0.464 56.5 158.2-111.1 57.7 7.4 17.0 -7.7 114 114 A P T 4 S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.819 75.5 48.6 -39.9 -53.1 4.5 15.8 -9.9 115 115 A A T 4 S+ 0 0 77 1,-0.2 -2,-0.1 3,-0.0 3,-0.0 0.926 120.9 33.9 -57.4 -51.9 6.8 14.6 -12.7 116 116 A E T 4 S+ 0 0 51 -3,-0.2 2,-3.2 1,-0.2 5,-0.2 0.751 86.9 97.9 -82.6 -24.9 9.2 12.7 -10.5 117 117 A F < + 0 0 2 -4,-2.9 -1,-0.2 -8,-0.2 -7,-0.0 -0.234 58.8 160.7 -69.7 61.1 6.8 11.4 -7.8 118 118 A T > - 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0 0 15 -3,-1.6 2,-1.0 -4,-0.4 3,-0.1 -0.604 67.4-137.9 -81.2 138.9 -11.1 13.7 -8.0 161 19 B N >> - 0 0 76 -2,-0.3 4,-2.8 1,-0.2 3,-0.6 -0.823 18.6-167.0 -95.0 93.6 -11.4 11.3 -10.9 162 20 B V H 3> S+ 0 0 38 -2,-1.0 4,-1.6 1,-0.2 5,-0.4 0.819 79.5 64.4 -51.1 -39.8 -12.3 8.2 -9.0 163 21 B D H 3> S+ 0 0 92 1,-0.2 4,-0.8 2,-0.1 -1,-0.2 0.954 117.5 25.5 -46.5 -56.1 -11.7 5.9 -11.9 164 22 B E H <> S+ 0 0 97 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.828 116.1 57.6 -76.2 -50.2 -8.0 6.7 -11.9 165 23 B V H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.927 108.3 49.7 -57.7 -44.2 -7.2 7.8 -8.4 166 24 B G H X S+ 0 0 3 -4,-1.6 4,-2.8 -5,-0.3 5,-0.3 0.915 111.5 47.7 -61.0 -45.3 -8.4 4.5 -7.1 167 25 B G H X S+ 0 0 6 -4,-0.8 4,-1.3 -5,-0.4 -1,-0.2 0.846 115.4 47.2 -66.2 -33.0 -6.3 2.5 -9.6 168 26 B E H X S+ 0 0 51 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.799 112.5 48.0 -75.5 -37.8 -3.4 4.8 -8.7 169 27 B A H X S+ 0 0 3 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.955 115.7 42.7 -67.4 -52.4 -3.9 4.4 -4.9 170 28 B L H X S+ 0 0 7 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.869 114.4 51.4 -63.7 -38.3 -4.2 0.6 -5.0 171 29 B G H X S+ 0 0 0 -4,-1.3 4,-1.3 -5,-0.3 -1,-0.2 0.892 109.0 49.9 -65.9 -43.5 -1.4 0.2 -7.4 172 30 B R H X S+ 0 0 3 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.835 106.9 57.1 -66.3 -31.8 1.0 2.3 -5.3 173 31 B L H X S+ 0 0 10 -4,-1.8 4,-2.5 1,-0.2 7,-0.3 0.926 107.5 46.6 -60.6 -50.1 0.0 0.2 -2.2 174 32 B L H < S+ 0 0 0 -4,-1.6 7,-0.3 1,-0.2 -1,-0.2 0.799 117.5 43.7 -65.4 -30.2 1.2 -2.9 -3.9 175 33 B V H < S+ 0 0 21 -4,-1.3 -2,-0.2 2,-0.1 -1,-0.2 0.869 117.7 41.8 -81.8 -46.4 4.4 -1.3 -5.1 176 34 B V H < S+ 0 0 1 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.870 130.3 26.1 -71.7 -38.5 5.4 0.5 -1.9 177 35 B Y S >< S- 0 0 26 -4,-2.5 3,-2.3 -5,-0.3 -1,-0.3 -0.759 71.8-179.2-130.1 75.7 4.4 -2.4 0.5 178 36 B P G > S+ 0 0 36 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.573 73.1 73.5 -55.3 -17.8 4.8 -5.5 -1.6 179 37 B W G > S+ 0 0 19 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.707 85.8 68.4 -68.6 -20.3 3.6 -7.8 1.2 180 38 B T G X S+ 0 0 2 -3,-2.3 3,-1.4 -7,-0.3 -1,-0.3 0.757 81.2 75.6 -69.5 -19.8 0.2 -6.4 0.6 181 39 B Q G X + 0 0 43 -3,-1.3 3,-3.5 1,-0.3 -1,-0.3 0.746 68.8 90.5 -63.4 -22.1 0.3 -8.2 -2.7 182 40 B R G < S+ 0 0 51 -3,-1.5 3,-0.5 1,-0.3 -1,-0.3 0.827 84.4 53.9 -41.0 -41.0 -0.3 -11.4 -0.7 183 41 B F G < S+ 0 0 52 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.415 103.8 54.3 -79.9 -0.1 -4.0 -10.8 -1.3 184 42 B F X + 0 0 31 -3,-3.5 3,-1.2 1,-0.1 -1,-0.2 -0.377 53.0 133.4-133.4 53.4 -4.0 -10.5 -5.1 185 43 B E T 3 S+ 0 0 149 -3,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.727 77.2 56.1 -69.7 -23.6 -2.4 -13.6 -6.6 186 44 B S T 3 S+ 0 0 86 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.170 86.2 77.8 -92.3 5.2 -5.2 -13.9 -9.1 187 45 B F S < S- 0 0 32 -3,-1.2 2,-0.3 1,-0.3 14,-0.2 0.146 95.9-143.9 -97.3 6.5 -4.6 -10.3 -10.5 188 46 B G + 0 0 51 -3,-0.3 2,-0.4 13,-0.1 -1,-0.3 -0.500 58.8 32.0 75.8-127.4 -1.7 -11.9 -12.3 189 47 B D + 0 0 94 -2,-0.3 10,-0.1 -3,-0.1 -3,-0.0 -0.566 47.7 144.5 -76.1 127.1 1.6 -10.0 -12.8 190 48 B L + 0 0 18 -2,-0.4 -1,-0.1 -5,-0.0 6,-0.1 -0.258 36.0 118.7-153.1 37.8 2.7 -7.5 -10.2 191 49 B S S S+ 0 0 89 1,-0.2 -2,-0.0 2,-0.0 3,-0.0 0.667 78.5 29.8 -83.1 -20.8 6.4 -8.3 -10.6 192 50 B T S > S- 0 0 65 1,-0.1 4,-2.3 0, 0.0 3,-0.4 -0.977 81.9-112.0-142.0 156.8 7.0 -4.7 -11.6 193 51 B P H > S+ 0 0 44 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.797 123.0 44.5 -46.2 -45.3 5.7 -1.2 -11.1 194 52 B D H > S+ 0 0 135 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.910 112.5 53.3 -69.5 -37.4 4.5 -1.0 -14.7 195 53 B A H 4 S+ 0 0 21 -3,-0.4 4,-0.5 2,-0.2 -1,-0.2 0.819 117.3 38.4 -62.7 -36.6 3.1 -4.6 -14.2 196 54 B V H < S+ 0 0 2 -4,-2.3 3,-0.3 2,-0.2 -2,-0.2 0.964 118.1 44.9 -80.6 -53.6 1.2 -3.3 -11.2 197 55 B M H < S+ 0 0 33 -4,-3.6 -2,-0.2 1,-0.2 -3,-0.2 0.785 118.4 42.6 -65.1 -35.7 0.1 0.1 -12.3 198 56 B G S < S+ 0 0 40 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.573 82.8 123.0 -87.4 -12.0 -1.0 -0.9 -15.8 199 57 B N > - 0 0 16 -4,-0.5 4,-2.5 -3,-0.3 5,-0.1 -0.265 54.2-153.3 -53.9 116.9 -2.8 -4.1 -14.4 200 58 B P H > S+ 0 0 98 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.823 94.9 53.6 -65.1 -29.1 -6.4 -3.7 -15.6 201 59 B K H > S+ 0 0 111 2,-0.2 4,-3.3 -14,-0.2 5,-0.3 0.870 109.7 46.6 -72.6 -41.0 -7.5 -5.9 -12.6 202 60 B V H > S+ 0 0 0 -15,-0.2 4,-3.3 2,-0.2 5,-0.2 0.924 113.9 50.8 -62.8 -42.6 -5.7 -3.6 -10.2 203 61 B K H X S+ 0 0 108 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.899 113.5 43.2 -60.4 -43.3 -7.3 -0.8 -12.1 204 62 B A H X S+ 0 0 51 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.896 116.3 46.6 -69.5 -49.3 -10.8 -2.3 -11.9 205 63 B H H >X S+ 0 0 47 -4,-3.3 4,-2.3 1,-0.2 3,-1.3 0.956 108.5 57.0 -59.4 -53.4 -10.4 -3.3 -8.2 206 64 B G H 3X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.3 -1,-0.2 0.850 104.6 53.8 -44.1 -43.5 -9.0 0.2 -7.4 207 65 B K H 3X S+ 0 0 81 -4,-1.1 4,-0.7 -5,-0.2 -1,-0.3 0.820 107.4 48.3 -64.3 -38.4 -12.2 1.7 -8.8 208 66 B K H X S+ 0 0 73 -4,-2.3 3,-1.9 1,-0.2 4,-0.6 0.927 105.2 57.4 -63.4 -42.7 -20.0 6.5 -0.3 216 74 B G H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.3 6,-0.2 0.846 100.4 60.7 -59.6 -30.7 -18.4 6.5 3.2 217 75 B L T 3< S+ 0 0 20 -4,-1.4 3,-0.5 1,-0.2 -1,-0.3 0.656 96.8 57.7 -70.2 -15.6 -17.7 10.2 2.6 218 76 B A T <4 S+ 0 0 73 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.570 113.9 41.8 -87.9 -10.8 -21.5 10.9 2.2 219 77 B H X< + 0 0 72 -3,-1.0 3,-1.9 -4,-0.6 -1,-0.2 -0.386 63.1 148.5-135.6 55.8 -21.9 9.5 5.7 220 78 B L G > S+ 0 0 17 -3,-0.5 3,-0.6 1,-0.3 -1,-0.1 0.732 77.0 57.9 -59.8 -27.4 -19.0 10.9 7.8 221 79 B D G 3 S+ 0 0 141 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.565 117.0 32.4 -79.2 -14.6 -21.3 10.8 10.8 222 80 B N G <> + 0 0 84 -3,-1.9 4,-2.1 -6,-0.2 3,-0.3 -0.211 64.4 142.4-145.8 53.2 -21.9 7.0 10.3 223 81 B L H <> S+ 0 0 8 -3,-0.6 4,-2.7 1,-0.2 5,-0.2 0.895 75.7 57.5 -57.6 -42.7 -18.8 5.4 8.9 224 82 B K H > S+ 0 0 84 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.832 108.6 42.8 -59.4 -43.9 -19.3 2.3 11.1 225 83 B G H >4 S+ 0 0 41 -3,-0.3 3,-0.6 2,-0.2 4,-0.4 0.887 114.5 53.5 -66.1 -45.2 -22.8 1.6 9.8 226 84 B T H 3< S+ 0 0 28 -4,-2.1 3,-0.4 1,-0.2 4,-0.2 0.907 118.6 31.4 -48.1 -62.5 -21.7 2.3 6.2 227 85 B F H 3X S+ 0 0 5 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.291 87.7 105.0 -87.1 2.1 -18.7 -0.1 6.3 228 86 B A H S+ 0 0 103 -4,-0.4 4,-1.9 -3,-0.4 -1,-0.2 0.845 115.6 47.6 -68.2 -36.2 -20.8 -5.2 5.8 230 88 B L H > S+ 0 0 53 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.836 108.7 56.1 -72.8 -30.4 -17.4 -4.6 4.2 231 89 B S H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.935 108.3 46.2 -65.1 -49.1 -15.7 -5.0 7.6 232 90 B E H X>S+ 0 0 98 -4,-1.8 4,-3.1 -5,-0.2 5,-0.5 0.926 113.1 50.8 -58.8 -47.1 -17.2 -8.4 8.2 233 91 B L H X>S+ 0 0 75 -4,-1.9 5,-2.7 1,-0.2 4,-2.4 0.935 109.1 49.2 -54.6 -53.0 -16.3 -9.5 4.6 234 92 B H H <5S+ 0 0 39 -4,-2.2 6,-2.3 3,-0.2 5,-0.4 0.874 122.4 35.4 -58.0 -37.2 -12.6 -8.4 4.9 235 93 B C H X5S+ 0 0 9 -4,-2.0 4,-0.5 4,-0.2 -2,-0.2 0.970 125.9 32.5 -77.3 -66.6 -12.3 -10.2 8.2 236 94 B D H <5S+ 0 0 79 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.719 136.8 19.2 -69.9 -24.1 -14.4 -13.3 7.9 237 95 B K T < - 0 0 3 -2,-0.5 3,-2.4 1,-0.1 4,-0.3 -0.461 19.8-129.6 -66.2 129.0 -5.2 -7.5 8.5 242 100 B P T >> S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.8 0.644 101.1 80.2 -55.8 -19.6 -6.8 -4.1 9.2 243 101 B E H 3> S+ 0 0 39 1,-0.3 4,-2.0 2,-0.2 3,-0.4 0.791 82.9 64.1 -59.7 -26.7 -3.3 -2.6 9.2 244 102 B N H <> S+ 0 0 12 -3,-2.4 4,-2.4 1,-0.2 -1,-0.3 0.794 93.6 60.5 -64.8 -29.2 -3.6 -2.6 5.4 245 103 B F H <> S+ 0 0 21 -3,-1.5 4,-1.3 -4,-0.3 -1,-0.2 0.859 106.4 46.8 -66.8 -37.1 -6.5 -0.1 5.7 246 104 B R H X S+ 0 0 95 -4,-0.8 4,-1.7 -3,-0.4 -2,-0.2 0.866 110.2 51.5 -75.3 -40.5 -4.0 2.3 7.3 247 105 B L H X S+ 0 0 20 -4,-2.0 4,-2.0 1,-0.2 3,-0.3 0.950 111.9 48.5 -59.2 -48.4 -1.3 1.7 4.7 248 106 B L H X S+ 0 0 38 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.785 107.0 54.4 -61.7 -34.3 -3.9 2.4 2.0 249 107 B G H X S+ 0 0 6 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.885 110.3 46.6 -70.5 -36.5 -5.2 5.6 3.5 250 108 B N H X S+ 0 0 51 -4,-1.7 4,-1.9 -3,-0.3 -2,-0.2 0.888 111.8 49.2 -70.2 -44.2 -1.7 7.1 3.7 251 109 B V H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.866 110.4 53.5 -60.9 -39.5 -0.9 6.2 0.1 252 110 B L H X S+ 0 0 5 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.846 106.5 51.4 -62.3 -37.5 -4.3 7.7 -0.8 253 111 B V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.883 110.2 48.9 -67.8 -40.3 -3.2 10.9 0.9 254 112 B C H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.889 111.7 50.6 -66.2 -38.6 0.0 10.9 -1.1 255 113 B V H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.995 111.0 46.3 -63.6 -60.7 -2.0 10.3 -4.3 256 114 B L H X S+ 0 0 1 -4,-3.0 4,-3.3 1,-0.3 5,-0.3 0.880 115.4 47.6 -48.2 -47.0 -4.4 13.2 -3.6 257 115 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.3 0.929 109.8 53.2 -58.2 -46.8 -1.3 15.4 -2.8 258 116 B H H < S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.817 118.2 38.2 -54.9 -37.1 0.3 14.1 -6.0 259 117 B H H < S+ 0 0 78 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.814 120.3 37.7 -87.1 -45.2 -2.7 15.2 -7.8 260 118 B F H >< S- 0 0 19 -4,-3.3 3,-1.7 -5,-0.2 -3,-0.2 0.665 83.2-178.3 -91.2 -11.5 -4.0 18.5 -6.3 261 119 B G G >< S+ 0 0 15 -4,-2.2 3,-2.2 -5,-0.3 -1,-0.2 -0.308 70.0 5.9 55.6-130.7 -0.5 19.8 -5.7 262 120 B K G 3 S+ 0 0 158 1,-0.3 -1,-0.3 -151,-0.2 -150,-0.1 0.709 126.1 67.4 -53.6 -28.2 -0.5 23.2 -4.0 263 121 B E G < S+ 0 0 81 -3,-1.7 2,-1.2 1,-0.2 -1,-0.3 0.656 83.3 76.4 -68.4 -18.7 -4.2 22.9 -3.6 264 122 B F S < S- 0 0 0 -3,-2.2 -1,-0.2 -7,-0.2 -3,-0.1 -0.616 78.1-179.9 -96.7 71.4 -3.7 20.0 -1.2 265 123 B T >> - 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