==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 18-JUN-98 1BIJ . COMPND 2 MOLECULE: HEMOGLOBIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.J.FERNANDEZ,C.ABAD-ZAPATERO,K.W.OLSEN . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 445 77.5 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 . 24 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 53.1 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 3 2 0 0 2 0 1 2 0 0 2 7 1 2 3 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 1 A V 0 0 169 0, 0.0 2,-0.6 0, 0.0 429,-0.1 0.000 360.0 360.0 360.0 130.3 -38.8 -41.3 96.7 2 2 A L - 0 0 23 1,-0.1 5,-0.1 2,-0.0 122,-0.0 -0.777 360.0-128.2 -85.8 119.5 -41.8 -40.9 94.5 3 3 A S >> - 0 0 43 -2,-0.6 4,-1.7 1,-0.1 3,-1.2 -0.104 24.2-108.1 -58.6 164.3 -44.5 -43.4 95.6 4 4 A P H 3> S+ 0 0 107 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.816 121.8 58.2 -69.8 -23.4 -46.0 -45.6 92.8 5 5 A A H 34 S+ 0 0 63 1,-0.2 4,-0.3 2,-0.2 119,-0.1 0.574 105.7 53.8 -77.6 -9.9 -49.2 -43.6 93.0 6 6 A D H X> S+ 0 0 15 -3,-1.2 4,-2.8 2,-0.2 3,-1.0 0.912 102.2 52.6 -85.1 -54.3 -47.1 -40.6 92.1 7 7 A K H 3X S+ 0 0 57 -4,-1.7 4,-2.7 1,-0.3 -2,-0.2 0.877 111.1 48.2 -49.2 -44.4 -45.4 -41.9 89.0 8 8 A T H 3X S+ 0 0 87 -4,-1.4 4,-1.4 2,-0.2 -1,-0.3 0.754 112.0 50.6 -69.9 -26.6 -48.7 -42.8 87.5 9 9 A N H <> S+ 0 0 53 -3,-1.0 4,-1.9 -4,-0.3 3,-0.4 0.980 112.3 45.0 -73.9 -53.0 -50.1 -39.3 88.4 10 10 A V H X S+ 0 0 5 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.888 112.2 54.6 -54.8 -44.2 -47.1 -37.5 86.8 11 11 A K H X S+ 0 0 102 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.891 109.2 44.3 -58.5 -47.0 -47.3 -39.7 83.8 12 12 A A H X S+ 0 0 65 -4,-1.4 4,-1.3 -3,-0.4 -1,-0.2 0.787 112.1 54.8 -67.0 -34.2 -51.0 -39.0 83.0 13 13 A A H X S+ 0 0 3 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.944 113.5 39.0 -66.4 -47.4 -50.5 -35.3 83.6 14 14 A W H X S+ 0 0 28 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.777 111.7 56.8 -77.2 -28.2 -47.7 -34.9 81.1 15 15 A G H < S+ 0 0 57 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.863 106.4 51.6 -68.9 -34.4 -49.2 -37.3 78.6 16 16 A K H < S+ 0 0 116 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.822 102.6 59.1 -69.2 -31.1 -52.3 -35.0 78.6 17 17 A V H >< S+ 0 0 0 -4,-1.0 3,-1.9 1,-0.1 -1,-0.2 0.855 84.6 156.6 -65.2 -32.3 -49.9 -32.1 78.0 18 18 A G G >< - 0 0 39 -4,-1.2 3,-1.8 1,-0.3 -1,-0.1 -0.089 67.6 -4.5 44.7-137.0 -48.9 -34.0 74.8 19 19 A A G > S+ 0 0 103 1,-0.3 3,-0.6 2,-0.1 4,-0.4 0.687 121.3 80.1 -56.7 -23.0 -47.5 -31.9 72.0 20 20 A H G <> + 0 0 93 -3,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.581 62.6 101.6 -64.5 -10.1 -48.1 -28.8 74.2 21 21 A A H <> S+ 0 0 9 -3,-1.8 4,-2.5 1,-0.2 3,-0.3 0.896 83.3 40.8 -39.9 -65.4 -45.0 -29.5 76.2 22 22 A G H <> S+ 0 0 12 -3,-0.6 4,-2.0 1,-0.2 5,-0.3 0.885 111.9 57.4 -56.1 -40.0 -42.7 -26.8 74.5 23 23 A E H > S+ 0 0 102 -4,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.953 112.2 42.5 -53.7 -47.4 -45.6 -24.4 74.5 24 24 A Y H X S+ 0 0 12 -4,-2.5 4,-2.2 -3,-0.3 -2,-0.2 0.854 107.5 57.7 -68.3 -42.4 -45.8 -24.8 78.3 25 25 A G H X S+ 0 0 3 -4,-2.5 4,-1.8 1,-0.2 3,-0.2 0.960 108.6 47.0 -54.1 -54.3 -42.0 -24.7 79.0 26 26 A A H X S+ 0 0 10 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.806 110.3 53.7 -57.1 -37.3 -41.7 -21.3 77.3 27 27 A E H X S+ 0 0 43 -4,-1.2 4,-2.0 -5,-0.3 -1,-0.2 0.903 106.5 50.0 -66.8 -42.2 -44.7 -20.0 79.2 28 28 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 -3,-0.2 -2,-0.2 0.888 110.4 53.7 -61.7 -37.8 -43.3 -21.0 82.7 29 29 A L H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.925 109.7 43.5 -62.0 -52.9 -40.1 -19.2 81.7 30 30 A E H X S+ 0 0 46 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.854 112.1 55.0 -63.6 -34.0 -41.6 -15.9 80.8 31 31 A R H X S+ 0 0 5 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.868 110.0 48.9 -63.3 -37.3 -43.8 -16.2 84.0 32 32 A M H X S+ 0 0 9 -4,-1.6 4,-1.6 2,-0.2 7,-0.3 0.848 106.7 52.1 -72.5 -37.9 -40.5 -16.6 85.9 33 33 A F H < S+ 0 0 5 -4,-2.1 7,-0.2 1,-0.2 -1,-0.2 0.806 117.7 41.3 -70.7 -24.5 -38.7 -13.7 84.4 34 34 A L H < S+ 0 0 69 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.872 122.0 35.0 -86.7 -49.4 -41.7 -11.5 85.3 35 35 A S H < S+ 0 0 15 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.901 128.9 35.8 -73.3 -42.7 -42.6 -12.7 88.7 36 36 A F >< - 0 0 30 -4,-1.6 3,-2.1 -5,-0.3 4,-0.3 -0.690 69.2-179.4-116.3 76.6 -39.1 -13.4 89.8 37 37 A P G > S+ 0 0 38 0, 0.0 3,-0.7 0, 0.0 540,-0.2 0.558 74.3 71.1 -50.1 -19.5 -36.9 -10.6 88.2 38 38 A T G > S+ 0 0 36 1,-0.2 3,-1.9 2,-0.2 4,-0.1 0.757 83.2 69.8 -69.9 -29.7 -33.6 -12.1 89.7 39 39 A T G X S+ 0 0 3 -3,-2.1 3,-1.5 -7,-0.3 4,-0.2 0.743 83.5 73.4 -61.4 -22.5 -33.8 -15.0 87.3 40 40 A K G X S+ 0 0 75 -3,-0.7 3,-1.0 -4,-0.3 -1,-0.3 0.638 76.4 78.3 -66.3 -17.3 -33.0 -12.6 84.5 41 41 A T G < S+ 0 0 7 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.596 93.2 51.1 -67.2 -10.6 -29.4 -12.4 85.8 42 42 A Y G < S+ 0 0 21 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.530 110.9 46.5-103.6 -9.4 -28.8 -15.8 84.0 43 43 A F X + 0 0 32 -3,-1.0 3,-1.0 -4,-0.2 -1,-0.2 -0.430 60.8 130.9-128.8 53.6 -30.2 -14.7 80.6 44 44 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.325 80.1 53.4 -86.8 7.1 -28.6 -11.3 79.9 45 45 A H T 3 S+ 0 0 120 -3,-0.1 2,-0.4 2,-0.1 -2,-0.0 -0.001 93.0 93.5-121.2 13.4 -27.6 -12.7 76.5 46 46 A F S < S- 0 0 40 -3,-1.0 2,-1.0 9,-0.0 -3,-0.1 -0.901 84.5-116.1-112.4 144.2 -31.2 -13.8 75.6 47 47 A D - 0 0 81 -2,-0.4 7,-0.3 1,-0.2 8,-0.2 -0.738 35.6-175.0 -74.9 105.0 -33.7 -11.7 73.7 48 48 A L + 0 0 47 -2,-1.0 -1,-0.2 6,-0.1 2,-0.1 0.178 34.6 129.4 -93.1 20.9 -36.1 -11.5 76.6 49 49 A S S > S- 0 0 54 1,-0.1 3,-2.4 2,-0.1 6,-0.2 -0.379 72.4 -83.1 -76.8 152.1 -38.8 -9.7 74.6 50 50 A H T 3 S+ 0 0 174 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 -0.225 118.1 13.9 -53.3 129.5 -42.4 -10.7 74.4 51 51 A G T 3 S+ 0 0 45 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.531 90.4 176.9 79.0 8.7 -42.8 -13.5 71.8 52 52 A S X> - 0 0 6 -3,-2.4 4,-1.8 1,-0.1 3,-0.8 -0.160 33.8-146.5 -53.8 130.9 -39.1 -14.2 71.6 53 53 A A T 34 S+ 0 0 91 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.397 98.2 59.5 -74.5 -0.8 -37.8 -17.0 69.5 54 54 A Q T 34 S+ 0 0 81 -7,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.671 106.9 41.7-101.2 -22.0 -35.0 -17.6 72.0 55 55 A V T <> S+ 0 0 5 -3,-0.8 4,-2.0 -8,-0.2 3,-0.5 0.846 116.1 48.7 -91.1 -39.3 -37.2 -18.3 75.0 56 56 A K H X S+ 0 0 123 -4,-1.8 4,-1.2 1,-0.3 -30,-0.2 0.876 111.1 51.5 -66.8 -37.7 -39.7 -20.5 73.1 57 57 A G H > S+ 0 0 36 -5,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.692 113.7 45.8 -71.1 -18.0 -36.7 -22.3 71.7 58 58 A H H > S+ 0 0 48 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.662 106.3 56.4 -94.2 -26.7 -35.5 -22.7 75.3 59 59 A G H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -34,-0.2 0.751 104.5 56.2 -76.1 -25.3 -38.9 -23.8 76.7 60 60 A K H >X S+ 0 0 125 -4,-1.2 4,-2.8 2,-0.2 3,-0.7 0.977 107.9 45.4 -67.7 -58.0 -38.8 -26.6 74.1 61 61 A K H 3X S+ 0 0 106 -4,-0.8 4,-1.7 1,-0.3 5,-0.2 0.896 112.0 52.4 -51.5 -48.4 -35.4 -28.0 75.3 62 62 A V H 3X S+ 0 0 33 -4,-1.9 4,-1.0 1,-0.2 -1,-0.3 0.807 112.7 45.5 -59.5 -34.1 -36.6 -27.7 78.9 63 63 A A H < S+ 0 0 2 -4,-1.5 3,-1.9 1,-0.2 6,-0.4 0.981 111.9 45.0 -60.5 -53.9 -37.2 -37.5 82.8 70 70 A V H >< S+ 0 0 14 -4,-1.6 3,-0.7 1,-0.3 -2,-0.2 0.891 110.2 55.1 -55.4 -45.0 -40.8 -38.8 82.9 71 71 A A T 3< S+ 0 0 62 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.245 119.6 33.3 -75.4 8.2 -40.0 -41.5 80.3 72 72 A H T X S+ 0 0 100 -3,-1.9 3,-2.0 -5,-0.1 -1,-0.3 -0.452 72.9 167.2-157.7 64.7 -37.2 -42.7 82.6 73 73 A V T < S+ 0 0 28 -3,-0.7 3,-0.1 1,-0.3 -3,-0.1 0.475 73.7 62.1 -70.3 3.6 -38.7 -42.0 85.9 74 74 A D T 3 S+ 0 0 120 1,-0.3 2,-0.3 -5,-0.1 -1,-0.3 0.339 112.6 35.2-103.7 0.2 -36.0 -44.2 87.5 75 75 A D < - 0 0 108 -3,-2.0 -1,-0.3 -6,-0.4 -3,-0.1 -0.890 63.8-170.7-153.8 127.1 -33.3 -41.8 86.3 76 76 A M + 0 0 30 -2,-0.3 -1,-0.1 -3,-0.1 -7,-0.1 0.795 52.5 62.5 -97.6 -28.0 -33.4 -37.9 85.9 77 77 A P + 0 0 60 0, 0.0 8,-0.1 0, 0.0 59,-0.0 -0.110 55.8 73.4 -93.5-168.2 -30.5 -36.4 84.0 78 78 A N + 0 0 105 1,-0.2 2,-0.3 4,-0.0 -10,-0.0 0.742 48.8 129.3 74.8 121.2 -28.8 -36.4 80.6 79 79 A A >> + 0 0 20 1,-0.4 4,-1.8 -11,-0.0 3,-0.8 -0.904 39.9 21.6 174.7 164.0 -30.2 -34.7 77.5 80 80 A L G >4 S- 0 0 100 -2,-0.3 2,-0.7 1,-0.2 3,-0.5 0.395 101.4 -49.7 48.8 173.6 -29.5 -32.3 74.6 81 81 A S G 34 S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.0 0, 0.0 0.188 133.4 8.0 -61.6 17.1 -26.2 -31.3 73.2 82 82 A A G <4 S+ 0 0 55 -3,-0.8 3,-0.4 -2,-0.7 -1,-0.2 0.481 92.1 102.6-178.0 6.1 -24.7 -30.4 76.6 83 83 A L << + 0 0 30 -4,-1.8 2,-4.2 -3,-0.5 3,-0.5 0.829 39.9 99.6 -68.8-113.6 -26.7 -31.3 79.8 84 84 A S S S- 0 0 51 1,-0.3 -1,-0.2 -5,-0.1 -4,-0.1 -0.125 121.6 -8.0 65.1 -66.0 -25.6 -34.4 81.8 85 85 A D S > S+ 0 0 77 -2,-4.2 4,-1.1 -3,-0.4 5,-0.3 -0.118 102.9 125.5-149.7 34.3 -23.6 -32.2 84.3 86 86 A L H >> + 0 0 47 -3,-0.5 4,-2.2 2,-0.2 5,-1.4 0.935 68.7 46.8 -66.3 -49.6 -24.1 -29.0 82.4 87 87 A H H 4>S+ 0 0 44 3,-0.2 5,-3.7 1,-0.2 6,-0.3 0.945 107.6 53.8 -62.1 -51.0 -25.7 -26.8 85.2 88 88 A A H 45S+ 0 0 7 48,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.838 125.3 19.6 -52.2 -42.8 -23.3 -27.7 88.1 89 89 A H H <5S+ 0 0 101 -4,-1.1 -1,-0.2 -3,-0.1 -2,-0.2 0.816 132.3 28.9-100.5 -45.6 -20.2 -26.8 86.2 90 90 A K T <5S+ 0 0 148 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.909 131.0 28.2 -86.5 -52.9 -20.9 -24.5 83.2 91 91 A L T - 0 0 7 1,-0.1 3,-2.1 374,-0.1 4,-0.3 -0.394 26.8-123.6 -59.1 129.7 -27.7 -20.9 92.3 95 95 A P G > S+ 0 0 32 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.778 103.5 75.0 -46.3 -30.1 -29.8 -23.8 93.6 96 96 A V G 3 S+ 0 0 45 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.680 86.6 59.5 -59.5 -25.0 -32.5 -21.3 94.8 97 97 A N G <> S+ 0 0 10 -3,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.618 89.2 72.4 -80.1 -13.9 -33.8 -20.6 91.3 98 98 A F H <> S+ 0 0 20 -3,-1.7 4,-1.6 -4,-0.3 -1,-0.2 0.827 97.1 49.2 -69.9 -31.6 -34.7 -24.2 90.7 99 99 A K H > S+ 0 0 132 -4,-0.5 4,-1.6 -3,-0.4 -1,-0.2 0.729 108.7 54.2 -77.5 -27.5 -37.7 -23.9 93.1 100 100 A L H > S+ 0 0 41 -4,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.858 108.6 47.6 -73.5 -38.6 -38.8 -20.8 91.3 101 101 A L H X S+ 0 0 46 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.902 110.7 52.4 -68.9 -40.4 -38.9 -22.5 87.9 102 102 A S H < S+ 0 0 16 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.923 108.1 51.0 -63.8 -40.5 -40.8 -25.4 89.4 103 103 A H H >X S+ 0 0 21 -4,-1.6 3,-1.9 1,-0.2 4,-1.6 0.964 112.9 44.8 -58.6 -54.3 -43.4 -23.1 90.9 104 104 A C H 3X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.3 -1,-0.2 0.789 109.4 56.1 -62.3 -26.5 -44.0 -21.3 87.6 105 105 A L H 3< S+ 0 0 6 -4,-1.8 4,-0.3 1,-0.2 -1,-0.3 0.344 109.5 48.7 -88.3 7.3 -44.1 -24.6 85.7 106 106 A L H <> S+ 0 0 4 -3,-1.9 4,-1.6 2,-0.1 -2,-0.2 0.629 106.4 51.7-115.3 -33.5 -46.9 -25.7 88.0 107 107 A V H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.815 108.0 56.3 -71.8 -33.3 -49.0 -22.5 87.7 108 108 A T H >X S+ 0 0 0 -4,-1.3 4,-2.0 -5,-0.2 3,-0.9 0.975 111.6 41.9 -60.2 -54.2 -48.7 -23.1 83.9 109 109 A L H 3> S+ 0 0 5 -4,-0.3 4,-1.7 1,-0.3 -2,-0.2 0.792 111.7 54.3 -65.2 -30.0 -50.2 -26.6 84.3 110 110 A A H 3< S+ 0 0 0 -4,-1.6 -1,-0.3 2,-0.2 151,-0.2 0.713 110.9 49.4 -72.8 -20.5 -52.8 -25.4 86.8 111 111 A A H << S+ 0 0 9 -4,-1.1 -2,-0.2 -3,-0.9 151,-0.2 0.927 121.2 28.6 -83.0 -49.0 -53.9 -22.9 84.1 112 112 A H H < S+ 0 0 67 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.627 124.5 44.3 -87.5 -22.4 -54.2 -25.1 81.1 113 113 A L >X + 0 0 9 -4,-1.7 3,-1.3 -5,-0.3 4,-0.6 -0.241 61.2 152.2-121.3 50.3 -55.1 -28.5 82.7 114 114 A P T 34 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.592 73.8 52.9 -54.5 -17.5 -57.7 -27.5 85.4 115 115 A A T 34 S+ 0 0 72 1,-0.1 3,-0.1 -3,-0.1 -2,-0.1 0.734 113.4 39.1 -91.0 -29.2 -59.4 -31.0 85.2 116 116 A E T <4 S+ 0 0 71 -3,-1.3 2,-0.4 1,-0.2 -1,-0.1 0.249 95.3 89.7-101.5 9.1 -56.3 -33.1 85.8 117 117 A F < + 0 0 3 -4,-0.6 -1,-0.2 -7,-0.1 -4,-0.0 -0.354 55.6 156.9-101.4 51.3 -55.0 -30.6 88.4 118 118 A T >> - 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0 0 18 -3,-0.5 4,-2.1 -4,-0.5 3,-0.3 -0.506 60.6-143.4 -67.8 124.1 -63.2 -31.0 106.0 200 58 B P H > S+ 0 0 90 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.459 100.2 56.4 -64.6 -5.9 -65.6 -28.2 106.9 201 59 B K H > S+ 0 0 124 2,-0.2 4,-2.8 3,-0.1 5,-0.2 0.787 104.6 49.9 -91.4 -42.3 -63.0 -26.7 109.3 202 60 B V H > S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 5,-0.2 0.954 116.2 42.8 -59.4 -50.7 -60.3 -26.5 106.6 203 61 B K H >X S+ 0 0 99 -4,-2.1 4,-1.4 1,-0.2 3,-1.0 0.994 113.6 53.4 -57.3 -58.3 -62.8 -24.6 104.3 204 62 B A H 3X S+ 0 0 56 -4,-0.9 4,-0.8 1,-0.3 -2,-0.2 0.808 113.5 41.0 -46.0 -42.2 -64.0 -22.6 107.3 205 63 B H H 3X S+ 0 0 63 -4,-2.8 4,-0.7 1,-0.2 -1,-0.3 0.721 107.3 60.6 -83.1 -23.2 -60.5 -21.4 108.2 206 64 B G H X S+ 0 0 31 -4,-1.1 3,-1.4 1,-0.2 4,-1.2 0.851 110.6 54.2 -60.0 -35.5 -57.9 -10.8 106.1 213 71 B F H >X S+ 0 0 22 -4,-1.2 3,-1.4 1,-0.3 2,-1.1 0.995 100.3 62.7 -58.2 -50.2 -55.7 -11.0 102.9 214 72 B S H 3< S+ 0 0 33 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.245 100.9 53.1 -60.3 13.9 -58.6 -9.2 101.2 215 73 B D H X> S+ 0 0 90 -3,-1.4 3,-2.3 -2,-1.1 4,-1.5 0.621 98.0 57.9-115.0 -40.8 -58.0 -6.2 103.5 216 74 B G H << S+ 0 0 2 -3,-1.4 -2,-0.2 -4,-1.2 -3,-0.1 0.704 92.4 76.2 -62.8 -17.2 -54.3 -5.6 102.9 217 75 B L T 3< S+ 0 0 32 -4,-1.0 -1,-0.3 1,-0.2 3,-0.2 0.610 100.4 40.0 -67.2 -14.2 -55.5 -5.3 99.3 218 76 B A T <4 S+ 0 0 84 -3,-2.3 2,-1.3 1,-0.1 -2,-0.2 0.765 109.1 58.5-100.3 -39.5 -56.8 -1.8 100.4 219 77 B H < + 0 0 94 -4,-1.5 2,-0.6 1,-0.2 -1,-0.1 -0.158 67.7 150.9 -84.4 46.0 -53.7 -1.0 102.5 220 78 B L + 0 0 27 -2,-1.3 -75,-0.2 -3,-0.2 -1,-0.2 0.129 67.7 44.6 -67.8 22.9 -51.6 -1.5 99.4 221 79 B D S S+ 0 0 143 -2,-0.6 2,-0.9 1,-0.2 -2,-0.1 0.298 119.4 25.9-124.6 -96.5 -49.0 1.0 100.8 222 80 B N + 0 0 100 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 -0.594 64.9 163.3 -78.0 107.4 -48.3 0.4 104.5 223 81 B L >> + 0 0 15 -2,-0.9 4,-1.6 -3,-0.1 3,-1.6 0.835 67.2 63.3 -89.6 -40.8 -49.0 -3.3 105.0 224 82 B K H 3> S+ 0 0 108 1,-0.3 4,-2.8 2,-0.2 2,-0.3 0.936 94.5 58.7 -50.4 -55.9 -47.2 -3.7 108.3 225 83 B G H 34 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.268 111.6 46.8 -63.1 16.7 -49.5 -1.3 110.2 226 84 B T H X4 S+ 0 0 34 -3,-1.6 3,-0.9 -2,-0.3 4,-0.3 0.623 122.7 23.6-117.8 -70.8 -52.3 -3.6 109.3 227 85 B F H 3X S+ 0 0 9 -4,-1.6 4,-1.9 1,-0.2 3,-0.5 0.537 93.3 98.6 -78.7 -8.9 -51.3 -7.2 110.0 228 86 B A H 3X S+ 0 0 29 -4,-2.8 4,-0.7 -5,-0.4 -1,-0.2 0.813 84.2 55.7 -45.4 -32.7 -48.7 -6.2 112.6 229 87 B T H X> S+ 0 0 97 -3,-0.9 4,-1.8 -5,-0.2 3,-0.9 0.944 108.7 44.0 -65.6 -48.8 -51.6 -7.1 115.0 230 88 B L H 3> S+ 0 0 53 -3,-0.5 4,-2.2 -4,-0.3 -2,-0.2 0.637 106.6 61.3 -72.3 -17.1 -51.8 -10.6 113.5 231 89 B S H 3< S+ 0 0 4 -4,-1.9 5,-0.3 2,-0.2 -1,-0.3 0.657 104.3 49.4 -81.1 -21.6 -48.0 -10.9 113.5 232 90 B E H X< S+ 0 0 99 -3,-0.9 3,-1.8 -4,-0.7 4,-0.4 0.939 116.5 42.8 -73.7 -62.3 -48.1 -10.5 117.2 233 91 B L H 3X>S+ 0 0 70 -4,-1.8 5,-2.4 1,-0.3 4,-0.6 0.867 112.1 49.2 -43.0 -74.5 -50.9 -13.2 117.4 234 92 B H T 3<5S+ 0 0 44 -4,-2.2 6,-2.8 3,-0.2 -1,-0.3 0.672 123.1 39.1 -42.3 -22.6 -49.5 -15.7 114.9 235 93 B C T <>5S+ 0 0 7 -3,-1.8 4,-3.0 4,-0.2 -3,-0.2 0.680 121.6 25.3 -93.7-100.9 -46.2 -15.4 116.8 236 94 B D T 45S+ 0 0 64 -4,-0.4 -3,-0.2 -5,-0.3 -2,-0.1 0.755 137.6 23.1 -31.7 -61.9 -46.4 -15.1 120.6 237 95 B K T <5S+ 0 0 156 -4,-0.6 -1,-0.2 -5,-0.3 -3,-0.2 0.939 131.1 36.8 -78.0 -49.6 -49.7 -16.8 121.1 238 96 B L T 4 - 0 0 7 -2,-0.5 3,-2.1 1,-0.1 4,-0.2 -0.706 18.0-133.9 -76.0 119.9 -43.4 -20.5 111.5 242 100 B P T 3> S+ 0 0 13 0, 0.0 4,-1.4 0, 0.0 3,-0.5 0.427 96.6 76.5 -50.4 -15.9 -43.4 -17.7 108.8 243 101 B E H 3> S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.850 87.7 61.2 -67.8 -33.6 -42.4 -20.1 106.0 244 102 B N H <> S+ 0 0 18 -3,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.656 101.1 51.5 -65.1 -23.2 -46.0 -21.3 106.0 245 103 B F H > S+ 0 0 30 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.895 110.2 48.4 -77.1 -46.4 -47.3 -17.9 105.1 246 104 B R H X S+ 0 0 96 -4,-1.4 4,-0.9 1,-0.2 -2,-0.2 0.881 110.9 53.7 -60.4 -34.5 -44.8 -17.8 102.2 247 105 B L H >X S+ 0 0 15 -4,-2.1 4,-1.5 1,-0.2 3,-0.8 0.945 105.6 52.5 -65.2 -43.7 -46.1 -21.2 101.4 248 106 B L H 3X S+ 0 0 40 -4,-1.7 4,-2.5 1,-0.2 3,-0.3 0.910 102.2 58.0 -57.9 -48.7 -49.8 -20.0 101.3 249 107 B G H 3X S+ 0 0 8 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.766 107.8 47.8 -53.6 -34.3 -49.1 -17.2 98.9 250 108 B N H X S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.3 3,-0.9 0.932 111.9 48.2 -58.1 -51.2 -56.3 -18.5 91.2 257 115 B A H 3X S+ 0 0 0 -4,-1.6 4,-0.7 1,-0.3 -1,-0.3 0.751 111.2 51.3 -61.2 -24.2 -54.7 -19.8 88.0 258 116 B H H 3< S+ 0 0 35 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.650 116.4 43.5 -84.4 -16.4 -56.7 -23.0 88.4 259 117 B H H << S+ 0 0 70 -4,-1.0 -2,-0.2 -3,-0.9 -3,-0.2 0.865 125.5 27.2 -94.1 -40.5 -59.7 -20.6 88.7 260 118 B F H >< S- 0 0 28 -4,-3.5 3,-2.5 1,-0.2 4,-0.4 0.357 80.0-178.4-105.5 3.2 -59.1 -18.1 85.9 261 119 B G G >< S+ 0 0 17 -4,-0.7 3,-0.9 -5,-0.3 -1,-0.2 -0.060 75.2 14.2 41.2-107.2 -57.1 -20.3 83.6 262 120 B K G 3 S+ 0 0 194 1,-0.2 -1,-0.3 -151,-0.2 -150,-0.1 0.772 120.8 64.9 -66.0 -36.1 -56.2 -18.1 80.6 263 121 B E G < S+ 0 0 102 -3,-2.5 2,-1.8 1,-0.2 -1,-0.2 0.671 83.0 82.5 -63.1 -20.3 -57.1 -14.8 82.3 264 122 B F S < S+ 0 0 0 -3,-0.9 -1,-0.2 -4,-0.4 -3,-0.1 -0.531 71.4 175.5 -87.2 70.6 -54.3 -15.4 84.8 265 123 B T > - 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0 0 14 71,-0.2 122,-0.0 125,-0.1 3,-0.0 -0.669 360.0-138.0 -80.1 132.2 -19.1 -36.4 100.5 292 3 C S > - 0 0 47 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.351 29.8-100.6 -78.4 170.1 -15.8 -37.0 98.7 293 4 C P H > S+ 0 0 103 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.914 127.3 51.7 -60.9 -37.3 -13.3 -39.2 100.5 294 5 C A H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.835 106.7 54.4 -64.2 -34.7 -11.4 -36.1 101.5 295 6 C D H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 106.5 50.9 -62.5 -50.2 -14.7 -34.6 102.9 296 7 C K H X S+ 0 0 49 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.765 111.4 49.5 -60.2 -26.4 -15.2 -37.7 105.1 297 8 C T H X S+ 0 0 86 -4,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.845 110.0 48.3 -80.5 -40.4 -11.6 -37.3 106.4 298 9 C N H X S+ 0 0 44 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.793 110.9 52.6 -69.8 -32.7 -12.0 -33.6 107.3 299 10 C V H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.894 113.7 40.7 -70.7 -44.1 -15.3 -34.3 109.1 300 11 C K H X S+ 0 0 102 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.807 114.6 53.9 -73.3 -30.4 -13.9 -37.0 111.3 301 12 C A H X S+ 0 0 61 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.917 114.3 40.9 -70.5 -39.5 -10.7 -35.0 111.8 302 13 C A H X S+ 0 0 2 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.796 116.1 48.0 -76.8 -36.5 -12.7 -32.0 113.0 303 14 C W H >X S+ 0 0 30 -4,-1.9 4,-1.7 2,-0.2 3,-0.8 0.884 104.4 60.8 -71.6 -38.3 -15.2 -33.8 115.1 304 15 C G H 3< S+ 0 0 59 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.866 105.1 50.4 -57.0 -35.3 -12.5 -35.8 116.8 305 16 C K H 3< S+ 0 0 110 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.713 100.7 61.2 -75.4 -24.8 -11.1 -32.5 118.0 306 17 C V H X< S+ 0 0 1 -3,-0.8 3,-1.2 -4,-0.7 -2,-0.2 0.986 81.2 148.9 -64.1 -56.4 -14.5 -31.3 119.4 307 18 C G G >< + 0 0 40 -4,-1.7 3,-2.7 1,-0.2 4,-0.2 -0.351 63.7 3.4 66.7-139.5 -14.5 -34.3 121.8 308 19 C A G 3 S+ 0 0 107 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.701 126.2 67.6 -55.1 -21.1 -16.1 -34.2 125.2 309 20 C H G X> S+ 0 0 85 -3,-1.2 4,-2.7 1,-0.2 3,-1.6 0.622 70.7 99.0 -76.4 -12.0 -17.2 -30.7 124.3 310 21 C A H <> S+ 0 0 13 -3,-2.7 4,-1.6 1,-0.3 -1,-0.2 0.858 86.0 41.4 -45.1 -51.7 -19.6 -31.9 121.6 311 22 C G H 3> S+ 0 0 20 -3,-0.5 4,-1.4 -4,-0.2 -1,-0.3 0.722 113.4 57.6 -69.2 -20.2 -22.7 -31.7 123.8 312 23 C E H <> S+ 0 0 108 -3,-1.6 4,-1.1 -4,-0.2 -2,-0.2 0.910 106.8 45.4 -73.3 -46.5 -21.4 -28.4 125.1 313 24 C Y H X S+ 0 0 18 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.826 105.2 68.9 -68.4 -24.0 -21.2 -27.0 121.5 314 25 C G H >X S+ 0 0 7 -4,-1.6 4,-2.1 -5,-0.4 3,-0.9 0.976 100.3 41.5 -55.2 -66.5 -24.7 -28.5 121.1 315 26 C A H 3X S+ 0 0 13 -4,-1.4 4,-2.6 30,-0.3 -1,-0.2 0.725 114.4 55.1 -53.8 -28.8 -26.5 -26.1 123.5 316 27 C E H 3X S+ 0 0 36 -4,-1.1 4,-2.2 2,-0.2 -1,-0.3 0.850 105.0 50.2 -75.1 -38.0 -24.4 -23.2 122.1 317 28 C A H < S- 0 0 36 -4,-2.2 3,-2.2 -5,-0.3 4,-0.3 -0.788 72.2-172.1-123.6 84.1 -33.3 -16.6 114.2 326 37 C P G > S+ 0 0 36 0, 0.0 3,-1.9 0, 0.0 -38,-0.1 0.821 78.8 70.9 -46.1 -35.1 -36.1 -15.9 116.6 327 38 C T G > S+ 0 0 35 1,-0.3 3,-1.6 2,-0.1 4,-0.2 0.775 82.8 72.9 -55.2 -29.2 -38.5 -17.9 114.5 328 39 C T G X S+ 0 0 3 -3,-2.2 3,-0.8 -7,-0.3 -1,-0.3 0.709 85.5 64.1 -62.8 -22.8 -36.8 -21.1 115.4 329 40 C K G X S+ 0 0 56 -3,-1.9 3,-0.7 -4,-0.3 -1,-0.3 0.263 73.4 89.4 -89.5 14.6 -38.2 -21.1 119.0 330 41 C T G < S+ 0 0 9 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.764 85.3 57.8 -76.9 -20.3 -41.8 -21.5 117.8 331 42 C Y G < S+ 0 0 29 -3,-0.8 -1,-0.2 -4,-0.2 3,-0.2 0.451 100.3 60.9 -85.8 -2.1 -41.1 -25.3 118.0 332 43 C F X + 0 0 28 -3,-0.7 3,-1.2 1,-0.1 -1,-0.2 -0.348 49.4 138.6-125.4 56.0 -40.1 -25.1 121.7 333 44 C P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.683 81.8 52.0 -66.8 -19.6 -43.2 -23.7 123.7 334 45 C H T 3 S+ 0 0 119 -3,-0.2 2,-0.4 2,-0.1 -2,-0.1 0.434 96.3 87.4 -95.7 -5.1 -42.3 -26.3 126.4 335 46 C F S < S- 0 0 40 -3,-1.2 2,-1.0 -6,-0.1 -3,-0.1 -0.809 74.6-133.2-104.3 138.4 -38.7 -25.2 126.7 336 47 C D - 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