==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 31-AUG-94 2HBE . COMPND 2 MOLECULE: HEMOGLOBIN A (N-BUTYL ISOCYANIDE) (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.A.JOHNSON,J.S.OLSON,G.N.PHILLIPS JR. . 287 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 81.9 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 . 7 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 0 0 0 0 0 0 2 1 2 2 0 0 1 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 0 181 0, 0.0 127,-0.1 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0 -38.8 36.4 47.0 2.2 2 2 A L - 0 0 20 125,-0.1 122,-0.0 122,-0.1 0, 0.0 0.843 360.0-125.7 47.3 119.1 34.4 48.7 5.1 3 3 A S > - 0 0 43 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.126 32.0 -99.3 -80.6 175.6 33.2 52.3 4.9 4 4 A P H > S+ 0 0 100 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.885 126.4 53.7 -66.1 -36.4 33.9 55.0 7.4 5 5 A A H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.893 105.2 51.6 -59.5 -48.7 30.4 54.2 8.9 6 6 A D H > S+ 0 0 12 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.939 109.0 51.8 -61.5 -42.4 31.1 50.5 9.3 7 7 A K H X S+ 0 0 48 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.858 110.6 47.0 -54.9 -47.5 34.4 51.3 11.2 8 8 A T H X S+ 0 0 94 -4,-1.5 4,-2.6 2,-0.2 -1,-0.3 0.832 113.9 49.8 -60.7 -46.8 32.6 53.6 13.6 9 9 A N H X S+ 0 0 36 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.973 110.0 48.4 -61.8 -48.5 29.9 50.9 14.0 10 10 A V H X S+ 0 0 2 -4,-3.3 4,-3.3 2,-0.2 5,-0.2 0.950 114.2 46.7 -59.7 -42.4 32.4 48.1 14.7 11 11 A K H X S+ 0 0 99 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.962 112.3 51.4 -67.8 -34.1 34.2 50.2 17.3 12 12 A A H X S+ 0 0 55 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.892 114.3 41.4 -63.7 -53.4 31.0 51.3 18.8 13 13 A A H X S+ 0 0 6 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.921 115.8 51.5 -60.9 -44.2 29.7 47.7 19.2 14 14 A W H >X S+ 0 0 36 -4,-3.3 4,-2.1 -5,-0.3 3,-1.3 0.975 106.8 50.9 -59.0 -54.5 33.1 46.5 20.3 15 15 A G H 3< S+ 0 0 59 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.919 109.6 52.5 -51.4 -40.9 33.6 49.1 23.0 16 16 A K H 3< S+ 0 0 139 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.799 101.7 58.8 -62.5 -37.0 30.2 48.2 24.4 17 17 A V H X< S+ 0 0 2 -4,-1.5 3,-1.4 -3,-1.3 -1,-0.2 0.935 87.9 156.7 -63.6 -39.9 31.2 44.5 24.5 18 18 A G G >< - 0 0 39 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 -0.204 60.0 -6.7 62.1-147.8 34.0 45.5 26.8 19 19 A A G 3 S+ 0 0 108 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.277 124.2 75.1 -71.5 6.5 35.7 43.3 29.3 20 20 A H G <> + 0 0 90 -3,-1.4 4,-1.4 2,-0.1 -1,-0.3 0.128 62.2 98.3 -95.1 9.9 33.1 40.7 28.4 21 21 A A H <> S+ 0 0 10 -3,-1.4 4,-2.6 2,-0.2 3,-0.3 0.950 79.9 55.6 -70.4 -36.1 34.7 39.8 25.0 22 22 A G H > S+ 0 0 13 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.941 110.6 44.1 -50.3 -51.4 36.4 36.8 26.5 23 23 A E H > S+ 0 0 109 1,-0.3 4,-2.0 -4,-0.2 -1,-0.3 0.768 111.6 54.6 -69.2 -30.7 33.1 35.4 27.8 24 24 A Y H X S+ 0 0 21 -4,-1.4 4,-1.8 -3,-0.3 -1,-0.3 0.853 107.0 50.2 -73.0 -39.3 31.4 36.2 24.5 25 25 A G H X S+ 0 0 5 -4,-2.6 4,-2.3 -3,-0.3 3,-0.2 0.948 108.8 51.1 -64.2 -46.0 34.0 34.3 22.5 26 26 A A H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.3 -2,-0.2 0.956 113.5 47.1 -57.7 -39.6 33.6 31.2 24.8 27 27 A E H X S+ 0 0 41 -4,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.802 108.3 52.8 -72.8 -32.4 29.8 31.4 24.2 28 28 A A H X S+ 0 0 0 -4,-1.8 4,-1.3 -3,-0.2 -1,-0.2 0.922 110.8 49.1 -74.2 -30.4 30.0 31.8 20.5 29 29 A L H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 3,-0.3 0.927 109.1 51.7 -69.3 -48.4 32.3 28.7 20.4 30 30 A E H X S+ 0 0 30 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.934 109.5 50.7 -53.5 -37.8 29.8 26.8 22.5 31 31 A R H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.772 111.6 48.2 -67.9 -42.0 27.0 27.8 20.1 32 32 A M H X S+ 0 0 12 -4,-1.3 4,-2.9 -3,-0.3 7,-0.3 0.842 110.1 49.7 -61.9 -53.8 29.0 26.7 17.1 33 33 A F H < S+ 0 0 9 -4,-2.4 7,-0.2 1,-0.2 -2,-0.2 0.962 117.8 40.6 -58.1 -46.4 29.9 23.3 18.5 34 34 A L H < S+ 0 0 81 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.878 123.3 37.9 -69.3 -41.5 26.3 22.6 19.4 35 35 A S H < S+ 0 0 13 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.788 126.8 33.9 -83.0 -31.4 24.7 24.0 16.3 36 36 A F >< + 0 0 38 -4,-2.9 3,-1.7 -5,-0.2 4,-0.3 -0.752 66.6 177.6-128.2 85.7 27.3 22.9 13.8 37 37 A P G > S+ 0 0 74 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.733 73.3 72.1 -69.1 -13.2 28.7 19.5 15.0 38 38 A T G > S+ 0 0 98 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.857 87.3 63.7 -75.5 -21.8 30.9 19.1 12.0 39 39 A T G X S+ 0 0 3 -3,-1.7 3,-1.3 1,-0.3 -1,-0.3 0.701 86.9 75.5 -74.5 -20.9 33.1 21.8 13.3 40 40 A K G X S+ 0 0 95 -3,-1.4 3,-2.8 -4,-0.3 -1,-0.3 0.755 73.9 76.9 -60.4 -25.7 33.9 19.7 16.3 41 41 A T G < S+ 0 0 96 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.717 87.8 61.2 -65.4 -24.5 36.2 17.4 14.3 42 42 A Y G < S+ 0 0 69 -3,-1.3 -1,-0.3 1,-0.2 3,-0.2 0.485 101.3 54.0 -77.9 -7.7 38.9 20.0 14.5 43 43 A F X + 0 0 44 -3,-2.8 3,-1.4 1,-0.1 -1,-0.2 -0.317 58.5 146.5-125.1 58.0 39.0 19.9 18.2 44 44 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.713 75.8 51.0 -66.8 -21.9 39.6 16.3 19.1 45 45 A H T 3 S+ 0 0 127 -3,-0.2 2,-0.3 2,-0.1 -2,-0.1 0.548 92.5 86.3 -91.4 -17.6 41.6 17.2 22.1 46 46 A F S < S- 0 0 35 -3,-1.4 2,-0.7 8,-0.0 -3,-0.1 -0.664 76.3-128.0 -81.0 154.4 39.2 19.7 23.8 47 47 A D - 0 0 89 -2,-0.3 8,-0.3 1,-0.1 7,-0.2 -0.864 25.9-165.9 -89.6 111.3 36.5 18.6 26.1 48 48 A L + 0 0 47 -2,-0.7 -1,-0.1 -5,-0.1 4,-0.1 0.390 39.6 126.7 -91.2 11.9 33.6 20.5 24.4 49 49 A S S > S- 0 0 64 2,-0.1 3,-1.6 1,-0.0 6,-0.2 -0.064 75.6 -89.5 -61.2 172.2 31.1 20.2 27.3 50 50 A H T 3 S+ 0 0 132 1,-0.3 2,-0.6 5,-0.1 5,-0.1 0.919 120.0 30.9 -49.4 -73.1 29.4 23.3 28.6 51 51 A G T 3 S+ 0 0 49 4,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.084 84.5 156.0 -81.6 30.0 31.6 24.6 31.3 52 52 A S <> - 0 0 5 -3,-1.6 4,-1.9 -2,-0.6 5,-0.1 -0.309 40.6-147.4 -59.2 137.0 34.7 23.3 29.7 53 53 A A H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.797 99.2 56.0 -70.7 -31.8 37.8 25.2 30.8 54 54 A Q H > S+ 0 0 82 -7,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.779 106.3 51.7 -70.4 -28.5 39.5 24.7 27.4 55 55 A V H > S+ 0 0 5 -8,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.954 111.8 45.2 -70.7 -43.1 36.4 26.4 25.7 56 56 A K H X S+ 0 0 101 -4,-1.9 4,-1.8 1,-0.3 3,-0.2 0.953 114.6 50.0 -58.5 -56.8 36.6 29.4 28.1 57 57 A G H X S+ 0 0 38 -4,-2.5 4,-1.1 1,-0.2 -1,-0.3 0.847 114.0 44.0 -45.9 -45.5 40.4 29.5 27.5 58 58 A H H X S+ 0 0 58 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.768 106.0 61.0 -76.5 -35.7 39.9 29.4 23.8 59 59 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 -3,-0.2 -2,-0.2 0.838 103.9 51.1 -53.2 -35.1 37.1 31.9 23.7 60 60 A K H X S+ 0 0 100 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.861 109.3 49.6 -70.4 -41.0 39.4 34.5 25.2 61 61 A K H X S+ 0 0 147 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.881 111.5 48.1 -65.5 -46.3 42.0 33.9 22.6 62 62 A V H X S+ 0 0 28 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.942 114.0 48.7 -55.8 -50.0 39.4 34.2 19.8 63 63 A A H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.867 108.5 54.0 -57.2 -35.1 38.2 37.4 21.4 64 64 A D H X S+ 0 0 107 -4,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.921 108.3 48.7 -75.1 -36.0 41.8 38.8 21.7 65 65 A A H X S+ 0 0 26 -4,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.827 109.0 51.8 -68.6 -33.2 42.4 38.3 18.0 66 66 A L H X S+ 0 0 14 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.903 108.3 52.8 -73.5 -31.4 39.2 40.0 17.1 67 67 A T H X S+ 0 0 54 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.933 107.1 51.5 -67.2 -41.8 40.2 42.9 19.3 68 68 A N H X S+ 0 0 62 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.937 109.8 50.6 -53.6 -52.4 43.5 43.2 17.5 69 69 A A H >< S+ 0 0 0 -4,-2.1 3,-0.7 2,-0.2 6,-0.3 0.938 112.1 47.0 -47.0 -52.1 41.7 43.2 14.2 70 70 A V H >< S+ 0 0 8 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.961 112.9 47.0 -60.8 -54.1 39.4 46.0 15.4 71 71 A A H 3< S+ 0 0 68 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.657 125.5 34.4 -59.3 -14.1 42.2 48.1 16.8 72 72 A H T X< S+ 0 0 89 -4,-1.0 3,-2.8 -3,-0.7 -1,-0.3 -0.068 74.8 138.6-132.1 33.8 44.0 47.5 13.5 73 73 A V G X S+ 0 0 19 -3,-1.6 3,-0.6 1,-0.3 -2,-0.1 0.717 71.7 55.4 -62.6 -14.7 41.0 47.4 11.1 74 74 A D G 3 S+ 0 0 131 1,-0.2 -1,-0.3 -4,-0.2 -4,-0.1 0.245 119.9 31.5-101.2 7.4 42.9 49.4 8.5 75 75 A D G <> S+ 0 0 72 -3,-2.8 4,-2.5 -6,-0.3 3,-0.3 -0.066 71.3 142.0-155.8 41.7 45.7 46.9 8.5 76 76 A M H <> + 0 0 11 -3,-0.6 4,-3.0 1,-0.2 5,-0.3 0.834 68.9 61.5 -56.1 -36.7 44.1 43.6 9.3 77 77 A P H > S+ 0 0 79 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.962 111.9 37.1 -61.5 -45.3 46.3 41.6 6.8 78 78 A N H >4 S+ 0 0 123 -3,-0.3 3,-1.5 2,-0.2 4,-0.5 0.999 119.0 50.5 -64.2 -53.5 49.5 42.5 8.7 79 79 A A H 3< S+ 0 0 31 -4,-2.5 4,-0.2 1,-0.3 3,-0.2 0.768 124.9 26.7 -50.6 -45.5 47.7 42.3 12.1 80 80 A L H 3X S+ 0 0 4 -4,-3.0 4,-1.4 -5,-0.2 -1,-0.3 0.418 88.4 106.2-101.0 -0.9 46.3 38.9 11.5 81 81 A S H > S+ 0 0 79 -4,-0.5 4,-2.1 1,-0.2 3,-1.0 0.980 109.3 48.4 -63.7 -51.8 50.3 35.1 11.5 83 83 A L H 3> S+ 0 0 59 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.654 104.9 60.6 -58.5 -25.2 46.9 33.6 12.4 84 84 A S H 3X S+ 0 0 7 -4,-1.4 4,-3.2 -3,-0.3 -1,-0.3 0.873 105.2 47.8 -68.5 -37.0 46.2 33.2 8.7 85 85 A D H S+ 0 0 76 -4,-1.5 5,-1.4 -3,-1.0 4,-1.0 0.968 112.2 49.8 -71.2 -44.8 49.2 30.9 8.4 86 86 A L H X>S+ 0 0 65 -4,-2.1 5,-2.5 3,-0.2 4,-0.6 0.903 123.7 29.2 -46.2 -55.8 48.1 29.0 11.4 87 87 A H H <5S+ 0 0 45 -4,-1.7 6,-2.3 3,-0.2 5,-0.3 0.931 129.9 35.4 -84.2 -42.6 44.5 28.5 10.1 88 88 A A H <5S+ 0 0 1 -4,-3.2 -1,-0.2 48,-0.3 -3,-0.2 0.233 130.7 28.6 -93.5 1.9 45.0 28.5 6.3 89 89 A H H <5S+ 0 0 91 -4,-1.0 -3,-0.2 -5,-0.1 -2,-0.1 0.608 127.0 23.5-140.4 -35.8 48.4 26.7 6.3 90 90 A K T < - 0 0 83 -2,-0.4 3,-2.0 1,-0.2 4,-0.2 -0.525 22.4-136.6 -52.3 123.0 37.7 24.4 5.9 95 95 A P T >> S+ 0 0 65 0, 0.0 3,-1.8 0, 0.0 4,-0.9 0.772 97.9 71.7 -61.7 -22.2 36.7 28.0 4.9 96 96 A V H 3> S+ 0 0 70 1,-0.3 4,-1.2 2,-0.2 3,-0.1 0.753 88.1 66.4 -59.5 -28.1 33.0 27.2 5.3 97 97 A N H <> S+ 0 0 17 -3,-2.0 4,-1.0 2,-0.2 -1,-0.3 0.679 88.6 63.6 -77.0 -7.7 33.6 27.1 9.0 98 98 A F H <> S+ 0 0 20 -3,-1.8 4,-2.4 -4,-0.2 -1,-0.2 0.908 101.4 52.3 -79.5 -34.0 34.4 30.8 9.2 99 99 A K H X S+ 0 0 136 -4,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.854 108.1 50.4 -60.1 -51.0 30.9 31.5 8.1 100 100 A L H X S+ 0 0 30 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.785 113.0 45.1 -61.7 -38.1 29.4 29.4 10.8 101 101 A L H X S+ 0 0 31 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.875 110.0 53.2 -78.5 -36.8 31.4 31.0 13.5 102 102 A S H >X S+ 0 0 14 -4,-2.4 4,-2.2 1,-0.2 3,-0.5 0.987 110.3 51.7 -60.2 -36.8 30.8 34.6 12.2 103 103 A H H 3X S+ 0 0 16 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.903 110.3 45.6 -65.1 -51.7 27.2 33.7 12.4 104 104 A C H 3X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.763 108.9 56.8 -62.7 -34.8 27.4 32.4 16.0 105 105 A L H X S+ 0 0 8 -4,-1.9 4,-1.9 2,-0.2 3,-1.5 0.944 111.6 50.0 -73.3 -38.6 26.2 39.8 20.2 110 110 A A H 3< S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.876 107.8 55.4 -63.9 -33.2 22.5 40.0 19.5 111 111 A A T 3< S+ 0 0 6 -4,-2.1 -1,-0.3 1,-0.2 151,-0.2 0.650 118.1 34.0 -71.8 -14.6 21.9 38.0 22.7 112 112 A H T <4 S+ 0 0 61 -3,-1.5 -2,-0.2 -4,-0.3 -1,-0.2 0.623 118.3 42.1-118.8 -28.1 23.9 40.5 24.8 113 113 A L X + 0 0 18 -4,-1.9 4,-1.7 1,-0.1 -1,-0.2 -0.634 52.2 162.6-131.4 74.8 23.4 44.0 23.4 114 114 A P T 4 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.822 79.4 53.5 -66.5 -26.4 19.7 44.6 22.4 115 115 A A T 4 S+ 0 0 74 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.949 116.4 34.1 -70.6 -45.2 20.3 48.3 22.4 116 116 A E T 4 S+ 0 0 52 1,-0.2 2,-2.1 -103,-0.1 -1,-0.2 0.640 90.5 91.9 -95.3 -0.3 23.2 48.4 20.0 117 117 A F < + 0 0 5 -4,-1.7 -1,-0.2 -8,-0.1 141,-0.0 -0.314 57.8 152.8 -89.8 64.5 22.4 45.5 17.7 118 118 A T > - 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0 0 14 -3,-0.6 2,-2.7 -4,-0.3 -3,-0.0 -0.382 67.7-130.1 -79.7 128.6 7.1 35.3 19.5 161 19 B N >> - 0 0 84 -2,-0.3 4,-1.7 1,-0.2 3,-1.1 -0.316 25.4-176.1 -70.2 84.0 5.7 38.6 18.4 162 20 B V T 34 S+ 0 0 65 -2,-2.7 -1,-0.2 1,-0.2 48,-0.1 0.490 76.0 67.8 -60.8 -2.2 4.5 37.4 15.1 163 21 B D T 34 S+ 0 0 114 3,-0.1 -1,-0.2 2,-0.0 4,-0.2 0.939 118.7 11.8 -80.3 -44.9 3.4 41.0 14.4 164 22 B E T X> S+ 0 0 121 -3,-1.1 4,-2.3 2,-0.1 3,-1.8 0.843 109.5 71.2-103.2 -45.8 7.0 42.4 14.3 165 23 B V H 3X S+ 0 0 1 -4,-1.7 4,-2.6 1,-0.3 5,-0.2 0.864 96.3 58.7 -49.1 -43.1 9.7 39.7 14.1 166 24 B G H 3> S+ 0 0 4 -5,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.809 109.9 42.9 -60.2 -26.4 8.7 38.8 10.5 167 25 B G H <> S+ 0 0 7 -3,-1.8 4,-2.1 2,-0.2 5,-0.2 0.820 110.5 56.1 -91.2 -30.6 9.4 42.3 9.4 168 26 B E H X S+ 0 0 31 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.916 109.2 47.1 -57.3 -46.0 12.6 42.5 11.4 169 27 B A H X S+ 0 0 6 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.921 114.9 44.1 -66.0 -45.2 14.0 39.4 9.6 170 28 B L H X S+ 0 0 11 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.882 114.1 49.6 -69.5 -44.2 13.1 40.6 6.2 171 29 B G H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.954 112.5 47.2 -59.3 -52.2 14.3 44.1 6.7 172 30 B R H X S+ 0 0 2 -4,-2.3 4,-3.3 -5,-0.2 5,-0.5 0.922 109.3 54.8 -57.7 -41.4 17.6 42.9 8.1 173 31 B L H X S+ 0 0 10 -4,-2.7 4,-1.9 -5,-0.2 7,-0.3 0.915 111.6 44.5 -54.5 -45.5 18.0 40.5 5.2 174 32 B L H < S+ 0 0 0 -4,-2.1 7,-0.3 2,-0.2 -2,-0.2 0.869 118.6 43.5 -71.9 -27.6 17.6 43.4 2.8 175 33 B V H < S+ 0 0 18 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.977 120.7 37.8 -79.7 -50.5 19.9 45.6 4.7 176 34 B V H < S+ 0 0 11 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.777 128.4 32.2 -75.1 -39.4 22.7 43.1 5.5 177 35 B Y S >< S- 0 0 26 -4,-1.9 3,-2.2 -5,-0.5 -1,-0.3 -0.642 73.9-178.7-121.3 82.1 22.6 41.2 2.2 178 36 B P G >> S+ 0 0 65 0, 0.0 3,-2.0 0, 0.0 4,-0.6 0.692 70.8 73.7 -62.5 -26.6 21.7 44.0 -0.4 179 37 B W G >4 S+ 0 0 149 1,-0.3 3,-0.6 2,-0.2 4,-0.1 0.762 88.3 66.5 -58.0 -18.4 21.6 41.8 -3.5 180 38 B T G X4 S+ 0 0 4 -3,-2.2 3,-2.3 -7,-0.3 -1,-0.3 0.767 82.6 72.8 -74.9 -22.6 18.3 40.4 -2.1 181 39 B Q G X4 S+ 0 0 52 -3,-2.0 3,-3.4 -7,-0.3 -1,-0.2 0.857 77.3 80.4 -59.6 -26.6 16.7 43.9 -2.6 182 40 B R G << S+ 0 0 188 -3,-0.6 3,-0.5 -4,-0.6 -1,-0.3 0.777 90.3 53.3 -48.9 -22.7 16.7 43.0 -6.2 183 41 B F G < S+ 0 0 79 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.426 115.1 36.0 -95.9 6.3 13.7 40.9 -5.4 184 42 B F <> + 0 0 36 -3,-3.4 4,-0.6 2,-0.1 -1,-0.2 -0.134 65.4 133.3-152.4 25.7 11.6 43.7 -3.8 185 43 B E T 4 S+ 0 0 143 -3,-0.5 5,-0.1 2,-0.2 -3,-0.1 0.656 76.7 59.0 -58.1 -26.1 12.5 46.8 -5.8 186 44 B S T 4 S+ 0 0 93 1,-0.1 -1,-0.1 3,-0.0 -2,-0.1 0.963 84.0 74.2 -59.0 -86.9 8.8 47.4 -5.9 187 45 B F T 4 S- 0 0 33 1,-0.1 2,-0.4 14,-0.1 14,-0.3 0.435 99.0-139.6 6.8 -58.4 8.2 47.6 -2.1 188 46 B G < + 0 0 36 -4,-0.6 2,-1.1 -3,-0.1 -1,-0.1 -0.927 63.2 45.8 137.7-128.6 9.9 51.0 -2.2 189 47 B D + 0 0 111 -2,-0.4 9,-0.2 1,-0.2 3,-0.1 -0.475 56.8 145.3 -63.4 97.2 12.3 53.2 -0.3 190 48 B L + 0 0 16 -2,-1.1 -1,-0.2 -5,-0.1 6,-0.1 0.290 34.7 103.7-116.2 14.8 15.0 50.7 0.3 191 49 B S S S+ 0 0 109 4,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.679 81.0 32.1 -80.2 -28.7 18.0 53.0 0.1 192 50 B T S > S- 0 0 70 1,-0.1 4,-2.3 -3,-0.1 3,-0.2 -0.934 85.8-111.0-123.4 156.5 18.9 53.4 3.7 193 51 B P H > S+ 0 0 48 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.917 119.9 51.7 -50.3 -33.1 18.5 51.0 6.7 194 52 B D H > S+ 0 0 135 1,-0.2 4,-0.8 2,-0.2 -3,-0.0 0.844 105.9 52.1 -73.4 -46.9 15.8 53.4 8.0 195 53 B A H >4 S+ 0 0 18 -3,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.952 110.9 49.4 -43.7 -53.5 13.8 53.4 4.8 196 54 B V H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.938 110.6 47.7 -63.2 -41.9 13.8 49.6 4.8 197 55 B M H 3< S+ 0 0 58 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.572 112.3 49.3 -78.4 -13.1 12.7 49.1 8.3 198 56 B G T << S+ 0 0 56 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.049 79.4 120.1-108.6 17.7 9.8 51.6 8.1 199 57 B N X> - 0 0 13 -3,-1.3 4,-2.0 1,-0.2 3,-0.8 -0.819 55.4-151.3 -89.3 112.3 8.4 50.3 4.9 200 58 B P H 3> S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.853 98.9 55.1 -40.3 -42.5 4.8 49.1 5.4 201 59 B K H 3> S+ 0 0 118 -14,-0.3 4,-2.1 2,-0.2 5,-0.2 0.857 104.9 51.3 -74.0 -22.7 5.3 46.6 2.6 202 60 B V H <> S+ 0 0 1 -3,-0.8 4,-2.6 -6,-0.2 5,-0.2 0.974 113.0 44.2 -76.5 -45.5 8.4 45.1 4.3 203 61 B K H X S+ 0 0 118 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.869 113.6 52.0 -72.5 -25.7 6.6 44.5 7.6 204 62 B A H X S+ 0 0 48 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.948 113.6 41.0 -73.1 -46.9 3.5 43.2 5.9 205 63 B H H >X S+ 0 0 57 -4,-2.1 4,-2.2 2,-0.2 3,-0.7 0.910 107.9 60.2 -67.5 -43.2 5.3 40.6 3.8 206 64 B G H 3X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.878 101.9 56.4 -52.2 -37.4 7.6 39.5 6.5 207 65 B K H 3X S+ 0 0 104 -4,-1.2 4,-1.3 -5,-0.2 -1,-0.3 0.876 104.1 51.7 -60.9 -37.4 4.5 38.6 8.4 208 66 B K H XX S+ 0 0 132 -4,-1.0 4,-1.3 -3,-0.7 3,-0.8 0.980 109.1 52.3 -61.8 -43.3 3.4 36.3 5.5 209 67 B V H 3X S+ 0 0 46 -4,-2.2 4,-1.2 1,-0.3 -2,-0.2 0.806 103.2 54.6 -65.4 -39.2 6.8 34.7 5.7 210 68 B L H 3X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -1,-0.3 0.803 101.3 62.9 -65.6 -31.2 6.6 33.9 9.4 211 69 B G H XX S+ 0 0 27 -4,-1.3 4,-3.3 -3,-0.8 3,-0.6 0.981 100.9 49.1 -50.0 -57.7 3.4 32.1 8.6 212 70 B A H 3X S+ 0 0 24 -4,-1.3 4,-1.4 1,-0.3 -1,-0.2 0.854 111.8 53.3 -55.0 -27.4 5.1 29.6 6.4 213 71 B F H 3X S+ 0 0 21 -4,-1.2 4,-1.5 2,-0.2 -1,-0.3 0.882 107.5 45.5 -79.4 -40.0 7.5 29.2 9.3 214 72 B S H < S+ 0 0 27 -4,-1.5 3,-0.5 2,-0.2 -1,-0.2 0.834 105.9 50.0 -53.3 -38.2 6.8 23.9 12.9 218 76 B A H 3< S+ 0 0 68 -4,-1.3 2,-1.2 1,-0.2 3,-0.3 0.994 119.3 33.5 -63.3 -57.6 3.5 22.2 12.6 219 77 B H T >< + 0 0 78 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 -0.347 64.3 141.9-103.9 56.2 4.6 19.6 10.0 220 78 B L G X S+ 0 0 20 -2,-1.2 3,-0.5 -3,-0.5 -1,-0.2 0.784 74.1 62.3 -65.1 -32.2 8.3 18.8 10.7 221 79 B D G 3 S+ 0 0 143 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.367 118.9 27.4 -60.2 -15.7 7.6 15.2 9.8 222 80 B N G <> + 0 0 77 -3,-2.1 4,-0.8 -6,-0.2 -1,-0.3 -0.434 66.5 150.4-156.0 76.2 6.7 16.5 6.4 223 81 B L H <> S+ 0 0 9 -3,-0.5 4,-2.2 2,-0.1 -3,-0.1 0.770 73.9 56.0 -79.5 -32.3 8.5 19.7 5.4 224 82 B K H > S+ 0 0 136 2,-0.2 4,-1.0 1,-0.2 7,-0.2 0.967 106.9 44.2 -69.3 -58.5 8.5 19.0 1.7 225 83 B G H >4 S+ 0 0 48 2,-0.2 3,-1.0 1,-0.2 4,-0.4 0.935 114.8 53.5 -49.2 -45.8 4.8 18.4 1.0 226 84 B T H 3< S+ 0 0 35 -4,-0.8 3,-0.5 1,-0.2 4,-0.3 0.969 117.1 35.0 -57.9 -44.8 4.2 21.5 3.2 227 85 B F H 3X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.409 86.3 107.8 -93.9 9.4 6.5 23.7 1.2 228 86 B A H S+ 0 0 106 -3,-0.5 4,-1.9 -4,-0.4 -1,-0.3 0.883 116.0 49.3 -84.7 -26.9 4.0 25.1 -3.8 230 88 B L H > S+ 0 0 55 -4,-0.3 4,-2.7 2,-0.2 5,-0.3 0.815 108.4 54.1 -74.7 -32.8 6.3 27.7 -2.3 231 89 B S H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.4 0.936 108.0 49.5 -67.5 -45.5 9.3 25.8 -3.6 232 90 B E H X>S+ 0 0 107 -4,-2.0 5,-1.4 -5,-0.2 4,-1.1 0.944 113.5 48.8 -52.7 -50.3 7.8 25.9 -7.1 233 91 B L H <>S+ 0 0 74 -4,-1.9 5,-2.8 3,-0.2 4,-0.4 0.896 118.1 35.8 -56.8 -54.3 7.3 29.6 -6.6 234 92 B H H <>S+ 0 0 46 -4,-2.7 6,-2.1 3,-0.2 5,-0.7 0.912 127.5 37.8 -77.5 -34.3 10.7 30.5 -5.3 235 93 B C H X5S+ 0 0 1 -4,-3.0 4,-1.4 -5,-0.3 -3,-0.2 0.992 128.5 23.2 -74.9 -74.3 12.6 28.1 -7.6 236 94 B D T <5S+ 0 0 75 -4,-1.1 -3,-0.2 -5,-0.4 -2,-0.1 0.759 133.2 32.2 -71.7 -33.4 10.7 28.1 -11.0 237 95 B K T 4 - 0 0 100 -2,-0.5 3,-1.8 1,-0.2 4,-0.4 -0.466 22.0-130.6 -66.6 133.5 19.4 30.9 -5.3 242 100 B P T >> S+ 0 0 23 0, 0.0 4,-1.3 0, 0.0 3,-1.0 0.738 101.9 73.2 -61.1 -31.9 18.9 28.4 -2.4 243 101 B E H >> S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.932 90.3 58.7 -49.8 -34.5 21.8 29.9 -0.5 244 102 B N H <> S+ 0 0 22 -3,-1.8 4,-2.2 1,-0.3 -1,-0.2 0.725 96.4 61.4 -73.6 -22.4 19.6 32.9 0.3 245 103 B F H <> S+ 0 0 19 -3,-1.0 4,-1.4 -4,-0.4 -1,-0.3 0.874 106.5 47.5 -59.6 -44.5 17.1 30.5 2.0 246 104 B R H < S- 0 0 32 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.602 80.9-179.4-103.2 -15.3 14.9 36.8 23.6 261 119 B G G >< S+ 0 0 10 -4,-2.4 3,-2.7 -5,-0.3 -1,-0.2 -0.261 70.3 12.7 61.7-132.5 18.4 37.6 24.8 262 120 B K G 3 S+ 0 0 165 1,-0.3 -1,-0.3 -151,-0.2 3,-0.1 0.571 121.5 65.6 -50.2 -28.0 19.5 35.2 27.6 263 121 B E G < S+ 0 0 111 -3,-1.8 2,-1.3 1,-0.2 -1,-0.3 0.583 82.9 78.2 -72.7 -15.8 16.6 32.8 27.0 264 122 B F S < S+ 0 0 0 -3,-2.7 -1,-0.2 -7,-0.2 -3,-0.1 -0.511 75.2 176.0 -92.9 66.0 18.0 32.0 23.5 265 123 B T > - 0 0 51 -2,-1.3 4,-2.5 -3,-0.1 5,-0.2 -0.084 46.8 -97.5 -66.3 172.0 20.6 29.7 25.0 266 124 B P H > S+ 0 0 16 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.937 125.2 52.2 -60.9 -43.5 23.0 27.6 22.8 267 125 B P H > S+ 0 0 78 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.908 110.5 48.9 -59.7 -33.4 20.8 24.5 23.1 268 126 B V H > S+ 0 0 19 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.922 110.9 49.8 -75.4 -28.7 17.9 26.5 22.0 269 127 B Q H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.962 106.6 55.9 -70.6 -39.7 19.9 27.9 19.1 270 128 B A H X S+ 0 0 13 -4,-3.2 4,-1.6 1,-0.3 -1,-0.2 0.872 107.5 49.0 -57.0 -44.9 21.0 24.5 18.0 271 129 B A H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.3 0.889 110.9 49.8 -60.8 -41.1 17.4 23.3 17.8 272 130 B Y H X S+ 0 0 1 -4,-1.7 4,-3.0 -3,-0.2 -2,-0.2 0.854 105.9 55.8 -71.9 -31.8 16.4 26.3 15.7 273 131 B Q H X S+ 0 0 9 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.890 105.7 53.4 -67.1 -34.0 19.3 25.9 13.2 274 132 B K H X S+ 0 0 103 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.980 113.3 42.6 -61.8 -46.0 18.0 22.3 12.6 275 133 B V H X S+ 0 0 1 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.931 112.9 51.0 -65.0 -57.5 14.6 23.7 11.8 276 134 B V H X S+ 0 0 8 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.916 112.2 48.4 -43.1 -44.0 15.9 26.6 9.7 277 135 B A H X S+ 0 0 45 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.881 109.0 55.3 -69.0 -34.4 18.0 24.1 7.8 278 136 B G H X S+ 0 0 7 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.984 110.5 42.9 -60.3 -53.3 14.9 21.9 7.4 279 137 B V H X S+ 0 0 11 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.890 112.7 51.3 -58.2 -53.3 12.9 24.7 5.9 280 138 B A H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.902 111.3 50.5 -50.2 -39.6 15.6 25.9 3.5 281 139 B N H X S+ 0 0 97 -4,-2.0 4,-0.9 -5,-0.2 -2,-0.2 0.916 110.8 48.8 -70.5 -38.9 16.1 22.3 2.4 282 140 B A H >< S+ 0 0 5 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.941 110.5 49.1 -64.3 -50.2 12.3 22.0 1.8 283 141 B L H >< S+ 0 0 21 -4,-3.0 3,-0.6 1,-0.2 -48,-0.2 0.886 110.6 53.2 -56.4 -35.2 12.1 25.3 -0.2 284 142 B A H >< S+ 0 0 3 -4,-1.9 3,-2.7 -5,-0.2 4,-0.5 0.744 80.6 95.8 -78.0 -16.1 15.1 24.2 -2.3 285 143 B H G X< S+ 0 0 83 -4,-0.9 3,-1.2 -3,-0.9 -1,-0.2 0.694 71.7 64.3 -50.6 -41.2 13.6 20.8 -3.3 286 144 B K G < S+ 0 0 80 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.502 100.8 55.8 -64.6 -3.6 12.2 21.9 -6.7 287 145 B Y G < 0 0 83 -3,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.639 360.0 360.0 -92.2 -37.5 15.8 22.5 -7.8 288 146 B H < 0 0 183 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 0.079 360.0 360.0 -53.9 360.0 17.0 19.0 -6.9