==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN BINDING 17-JUL-08 3DUT . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.N.MALASHKEVICH,T.C.BALAZS,S.C.ALMO,R.E.HIRSCH . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 453 78.9 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 . 88 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 58.9 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 2 1 1 0 0 2 0 2 1 0 3 4 0 3 3 6 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 0 141 0, 0.0 2,-0.5 0, 0.0 130,-0.1 0.000 360.0 360.0 360.0-164.5 11.3 -7.3 26.3 2 2 A L - 0 0 18 71,-0.1 122,-0.0 4,-0.0 0, 0.0 -0.923 360.0-148.8-114.0 122.8 10.3 -7.3 30.0 3 3 A S > - 0 0 42 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.318 35.2-102.9 -74.5 165.2 12.5 -9.0 32.6 4 4 A P H > S+ 0 0 110 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.878 126.3 53.4 -51.5 -36.3 11.2 -10.6 35.8 5 5 A A H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 105.8 48.2 -73.6 -40.5 12.4 -7.4 37.4 6 6 A D H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 112.0 52.5 -62.1 -37.3 10.6 -5.0 35.1 7 7 A K H X S+ 0 0 44 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.946 109.7 47.5 -63.6 -48.3 7.4 -7.1 35.7 8 8 A T H X S+ 0 0 90 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.929 114.0 47.6 -51.2 -52.3 7.8 -6.9 39.5 9 9 A N H X S+ 0 0 40 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.847 112.9 48.0 -59.8 -45.1 8.4 -3.0 39.3 10 10 A V H X S+ 0 0 1 -4,-2.4 4,-3.2 2,-0.2 5,-0.4 0.937 113.3 46.8 -61.9 -50.1 5.4 -2.4 37.0 11 11 A K H X S+ 0 0 93 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.916 113.9 49.7 -58.1 -44.0 3.0 -4.5 39.0 12 12 A A H X S+ 0 0 63 -4,-2.3 4,-0.9 -5,-0.3 -2,-0.2 0.967 117.4 38.4 -65.0 -47.7 4.2 -2.8 42.2 13 13 A A H >< S+ 0 0 4 -4,-2.4 3,-0.6 1,-0.2 4,-0.4 0.922 118.1 45.7 -70.3 -47.5 3.8 0.7 40.9 14 14 A W H >X S+ 0 0 14 -4,-3.2 4,-1.3 1,-0.2 3,-1.0 0.801 104.2 65.8 -66.5 -27.0 0.6 0.3 38.9 15 15 A G H 3< S+ 0 0 42 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.872 97.6 54.4 -61.1 -36.0 -0.9 -1.6 41.8 16 16 A K T << S+ 0 0 130 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.635 95.3 66.9 -76.2 -13.1 -0.7 1.7 43.7 17 17 A V T X4 S+ 0 0 2 -3,-1.0 3,-2.1 -4,-0.4 -1,-0.2 0.968 76.1 140.0 -66.0 -50.8 -2.6 3.4 41.0 18 18 A G G >< S+ 0 0 45 -4,-1.3 3,-0.9 1,-0.3 -1,-0.1 -0.165 70.8 4.6 52.9-126.7 -5.5 1.2 42.1 19 19 A A G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.1 3,-0.3 0.423 115.3 80.0 -75.2 4.0 -8.9 3.0 42.1 20 20 A H G <> + 0 0 88 -3,-2.1 4,-3.0 1,-0.2 5,-0.3 0.235 59.1 118.7 -90.6 17.3 -7.4 6.2 40.7 21 21 A A H <> S+ 0 0 11 -3,-0.9 4,-2.9 1,-0.2 5,-0.2 0.909 75.7 38.8 -51.8 -62.9 -7.5 4.7 37.1 22 22 A G H > S+ 0 0 19 -3,-0.3 4,-2.6 1,-0.2 5,-0.3 0.870 116.8 52.5 -53.9 -43.8 -9.8 7.2 35.4 23 23 A E H > S+ 0 0 96 -4,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.948 113.9 40.8 -61.8 -53.7 -8.3 10.1 37.3 24 24 A Y H X S+ 0 0 13 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.861 116.8 49.9 -62.3 -43.7 -4.7 9.3 36.3 25 25 A G H X S+ 0 0 2 -4,-2.9 4,-2.3 -5,-0.3 -2,-0.2 0.925 113.0 46.2 -57.8 -44.2 -5.7 8.4 32.7 26 26 A A H X S+ 0 0 12 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.924 112.9 50.8 -68.2 -42.3 -7.7 11.5 32.3 27 27 A E H X S+ 0 0 30 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.896 109.4 49.5 -56.2 -47.6 -4.9 13.5 33.7 28 28 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.907 111.0 50.6 -60.0 -40.9 -2.3 11.9 31.4 29 29 A L H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.948 110.9 48.9 -65.2 -47.2 -4.6 12.7 28.4 30 30 A E H X S+ 0 0 43 -4,-2.7 4,-2.1 1,-0.2 5,-0.3 0.922 109.5 51.3 -58.3 -44.5 -4.9 16.3 29.5 31 31 A R H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.899 111.3 49.5 -53.0 -45.7 -1.1 16.6 29.9 32 32 A M H X S+ 0 0 10 -4,-2.3 4,-3.1 1,-0.2 7,-0.3 0.924 109.4 50.6 -60.5 -55.0 -0.7 15.2 26.4 33 33 A F H < S+ 0 0 14 -4,-2.9 7,-0.2 1,-0.2 -1,-0.2 0.874 117.3 38.7 -54.3 -40.0 -3.3 17.6 24.9 34 34 A L H < S+ 0 0 80 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.870 122.9 40.4 -78.5 -39.1 -1.6 20.8 26.4 35 35 A S H < S+ 0 0 15 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.872 129.2 27.7 -79.1 -37.7 2.0 19.7 26.0 36 36 A F >< - 0 0 37 -4,-3.1 3,-2.4 -5,-0.3 -1,-0.3 -0.739 69.0-179.6-125.1 78.7 1.7 18.2 22.5 37 37 A P G > S+ 0 0 43 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.694 74.6 72.4 -55.2 -26.5 -1.3 20.0 20.8 38 38 A T G > S+ 0 0 38 1,-0.3 3,-1.6 2,-0.2 4,-0.1 0.776 84.6 69.0 -64.2 -20.9 -0.9 18.0 17.6 39 39 A T G X S+ 0 0 2 -3,-2.4 3,-1.7 -7,-0.3 -1,-0.3 0.750 83.0 71.6 -67.4 -22.9 -2.3 15.0 19.5 40 40 A K G X S+ 0 0 65 -3,-1.8 3,-1.5 1,-0.3 -1,-0.3 0.614 77.4 81.3 -61.8 -20.4 -5.7 16.9 19.6 41 41 A T G < S+ 0 0 9 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.696 88.6 53.3 -60.1 -22.1 -5.9 16.1 15.9 42 42 A Y G < S+ 0 0 20 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.481 110.4 47.2 -87.2 -8.2 -7.2 12.6 16.9 43 43 A F X + 0 0 29 -3,-1.5 3,-1.5 -4,-0.1 -1,-0.2 -0.313 58.5 129.9-129.4 41.2 -10.0 13.9 19.1 44 44 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.704 76.3 62.4 -70.3 -14.1 -11.8 16.6 17.1 45 45 A H T 3 S+ 0 0 123 -3,-0.1 2,-0.4 2,-0.1 -2,-0.0 0.175 95.0 81.2 -92.8 12.0 -15.0 14.7 18.1 46 46 A F S < S- 0 0 44 -3,-1.5 2,-0.8 8,-0.0 -3,-0.1 -0.908 81.3-124.5-114.4 148.2 -14.4 15.3 21.8 47 47 A D - 0 0 85 -2,-0.4 8,-0.5 1,-0.1 7,-0.2 -0.855 30.5-175.1 -77.1 110.7 -15.0 18.2 24.1 48 48 A L + 0 0 52 -2,-0.8 -1,-0.1 6,-0.1 3,-0.1 0.160 33.6 134.4 -96.4 15.2 -11.4 18.5 25.3 49 49 A S S > S- 0 0 57 1,-0.1 3,-2.2 2,-0.1 6,-0.2 -0.310 73.7 -84.8 -58.5 148.4 -12.4 21.3 27.8 50 50 A H T 3 S+ 0 0 158 1,-0.3 -1,-0.1 5,-0.1 -2,-0.0 -0.338 117.8 16.4 -54.3 125.2 -10.9 20.8 31.2 51 51 A G T 3 S+ 0 0 42 1,-0.2 -1,-0.3 -3,-0.1 5,-0.1 0.293 87.7 159.5 96.5 -9.7 -13.1 18.5 33.2 52 52 A S <> - 0 0 8 -3,-2.2 4,-1.9 1,-0.1 -1,-0.2 -0.037 45.7-132.5 -57.0 144.1 -15.1 17.2 30.2 53 53 A A H > S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.872 105.1 57.6 -67.0 -32.0 -16.9 13.9 30.6 54 54 A Q H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 108.0 45.1 -64.7 -41.0 -15.5 12.6 27.3 55 55 A V H > S+ 0 0 12 -8,-0.5 4,-2.7 -6,-0.2 -1,-0.2 0.897 113.9 50.9 -67.0 -38.9 -11.9 13.0 28.4 56 56 A K H X S+ 0 0 122 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.937 111.5 46.7 -68.4 -44.9 -12.7 11.5 31.8 57 57 A G H X S+ 0 0 39 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.914 114.3 46.2 -62.1 -43.3 -14.3 8.4 30.3 58 58 A H H X S+ 0 0 47 -4,-2.2 4,-3.2 -5,-0.2 5,-0.3 0.933 108.2 57.6 -66.7 -40.9 -11.5 7.8 27.7 59 59 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.915 106.9 50.0 -47.7 -51.0 -8.9 8.3 30.5 60 60 A K H X S+ 0 0 105 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.933 110.3 48.1 -54.8 -48.6 -10.6 5.5 32.3 61 61 A K H X S+ 0 0 145 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.918 111.9 49.6 -64.9 -40.3 -10.6 3.2 29.3 62 62 A V H X S+ 0 0 26 -4,-3.2 4,-1.8 2,-0.2 -2,-0.2 0.959 114.5 44.4 -62.3 -45.5 -7.0 3.9 28.6 63 63 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.899 112.2 52.8 -68.0 -36.9 -6.0 3.2 32.3 64 64 A D H X S+ 0 0 65 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.855 107.5 51.5 -67.8 -34.7 -8.2 0.1 32.4 65 65 A A H X S+ 0 0 22 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.874 109.5 50.1 -66.4 -36.9 -6.5 -1.3 29.3 66 66 A L H X S+ 0 0 11 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.878 109.4 50.6 -69.7 -36.1 -3.1 -0.7 31.0 67 67 A T H X S+ 0 0 55 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.905 109.7 51.7 -64.9 -40.6 -4.4 -2.5 34.1 68 68 A N H X S+ 0 0 51 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.962 111.4 47.2 -52.9 -51.7 -5.4 -5.2 31.7 69 69 A A H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.921 112.8 47.5 -61.9 -45.6 -1.8 -5.1 30.3 70 70 A V H >< S+ 0 0 12 -4,-3.2 3,-1.3 1,-0.2 -1,-0.2 0.927 111.8 51.2 -58.4 -42.3 -0.2 -5.2 33.8 71 71 A A H 3< S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.654 120.0 35.3 -73.9 -16.2 -2.4 -8.1 34.8 72 72 A H T X< S+ 0 0 95 -4,-1.1 3,-1.8 -3,-0.6 -1,-0.3 -0.216 73.5 140.0-127.8 42.5 -1.5 -10.0 31.7 73 73 A V G X + 0 0 13 -3,-1.3 3,-0.5 1,-0.3 -71,-0.1 0.761 69.1 58.6 -62.2 -24.1 2.1 -8.9 31.4 74 74 A D G 3 S+ 0 0 119 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.145 121.2 25.0 -88.6 21.0 3.2 -12.5 30.4 75 75 A D G <> S+ 0 0 83 -3,-1.8 4,-1.8 -6,-0.2 -1,-0.2 -0.065 72.2 148.0-178.1 50.4 0.9 -12.5 27.4 76 76 A M H <> + 0 0 13 -3,-0.5 4,-2.5 1,-0.2 5,-0.1 0.828 66.9 62.5 -74.4 -34.5 0.2 -8.9 26.3 77 77 A P H 4 S+ 0 0 80 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.947 111.6 39.4 -62.7 -36.4 -0.2 -9.4 22.6 78 78 A N H >4 S+ 0 0 112 2,-0.2 3,-1.2 1,-0.2 4,-0.4 0.938 116.1 50.4 -68.9 -46.1 -3.3 -11.6 23.3 79 79 A A H 3< S+ 0 0 30 -4,-1.8 3,-0.2 1,-0.3 4,-0.2 0.837 119.5 38.6 -57.6 -33.5 -4.7 -9.5 26.1 80 80 A L T 3X S+ 0 0 3 -4,-2.5 4,-2.9 1,-0.2 -1,-0.3 0.351 84.3 109.3 -98.8 5.0 -4.3 -6.5 23.9 81 81 A S H <> S+ 0 0 41 -3,-1.2 4,-2.3 -4,-0.3 5,-0.2 0.859 78.3 46.7 -57.4 -44.7 -5.4 -8.1 20.6 82 82 A A H > S+ 0 0 77 -4,-0.4 4,-2.3 -3,-0.2 -1,-0.2 0.906 114.7 47.6 -64.3 -41.5 -8.8 -6.4 20.3 83 83 A L H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.862 110.3 51.6 -68.6 -36.9 -7.3 -3.0 21.0 84 84 A S H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.901 109.8 50.7 -65.9 -38.8 -4.4 -3.5 18.6 85 85 A D H X S+ 0 0 65 -4,-2.3 4,-3.0 -5,-0.2 5,-0.4 0.952 111.0 50.7 -56.7 -48.8 -7.0 -4.4 15.9 86 86 A L H X>S+ 0 0 75 -4,-2.3 5,-2.0 1,-0.2 4,-1.9 0.896 113.1 41.2 -60.9 -45.5 -8.8 -1.3 16.7 87 87 A H H <>S+ 0 0 34 -4,-2.5 5,-2.5 3,-0.2 6,-0.4 0.876 119.1 47.7 -71.8 -33.4 -5.9 1.1 16.5 88 88 A A H <5S+ 0 0 7 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.910 123.7 28.0 -71.3 -40.0 -4.5 -0.6 13.4 89 89 A H H <5S+ 0 0 104 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.792 135.6 10.8 -98.3 -29.1 -7.7 -0.8 11.4 90 90 A K T <5S+ 0 0 133 -4,-1.9 -3,-0.2 -5,-0.4 -4,-0.1 0.816 126.6 38.6-116.0 -64.9 -9.8 2.1 12.5 91 91 A L T - 0 0 4 -2,-0.4 3,-1.9 1,-0.2 4,-0.4 -0.273 29.7-121.5 -59.6 135.3 0.4 7.6 13.9 95 95 A P T >> S+ 0 0 41 0, 0.0 3,-1.4 0, 0.0 4,-0.7 0.762 104.9 72.0 -51.5 -25.3 2.9 5.6 16.0 96 96 A V H >> S+ 0 0 45 1,-0.3 4,-1.0 2,-0.2 3,-0.9 0.873 87.2 63.8 -63.5 -28.3 4.8 8.7 17.1 97 97 A N H <> S+ 0 0 8 -3,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.745 88.6 68.0 -69.3 -18.7 1.9 9.7 19.4 98 98 A F H <> S+ 0 0 23 -3,-1.4 4,-2.3 -4,-0.4 -1,-0.2 0.890 98.3 51.9 -68.0 -33.1 2.3 6.7 21.5 99 99 A K H - 0 0 59 -2,-2.2 4,-2.3 -3,-0.1 5,-0.2 -0.163 61.3 -98.7 -74.2 177.0 12.3 5.5 41.8 119 119 A P H > S+ 0 0 22 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.933 125.7 48.7 -62.1 -42.7 14.8 5.6 39.0 120 120 A A H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.905 113.3 47.0 -60.3 -41.3 14.6 1.8 38.5 121 121 A V H > S+ 0 0 15 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.902 109.0 54.7 -71.4 -40.1 10.8 1.9 38.5 122 122 A H H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.931 109.6 49.0 -54.6 -52.7 10.8 4.8 36.0 123 123 A A H X S+ 0 0 16 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.917 111.7 46.3 -53.9 -49.2 12.9 2.7 33.7 124 124 A S H X S+ 0 0 3 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.895 113.9 49.9 -65.1 -39.0 10.7 -0.5 33.9 125 125 A L H X S+ 0 0 3 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.912 108.5 51.5 -66.6 -40.4 7.6 1.6 33.4 126 126 A D H X S+ 0 0 18 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.921 113.4 45.6 -61.3 -40.5 9.1 3.3 30.4 127 127 A K H X S+ 0 0 22 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.930 112.3 51.5 -65.9 -44.3 9.9 -0.1 28.9 128 128 A F H X S+ 0 0 4 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.944 110.9 46.1 -58.6 -53.3 6.4 -1.4 29.8 129 129 A L H X S+ 0 0 6 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.892 111.7 52.3 -61.1 -40.4 4.6 1.5 28.1 130 130 A A H X S+ 0 0 40 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.889 110.6 49.4 -58.2 -37.7 6.9 1.1 25.0 131 131 A S H X S+ 0 0 27 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 111.1 48.2 -66.6 -44.3 6.0 -2.6 25.0 132 132 A V H X S+ 0 0 11 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.939 111.8 50.0 -58.3 -46.7 2.3 -1.7 25.2 133 133 A S H X S+ 0 0 16 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.900 109.1 52.6 -62.3 -43.1 2.8 0.8 22.4 134 134 A T H >X S+ 0 0 91 -4,-2.7 4,-0.7 1,-0.2 3,-0.7 0.941 110.9 45.5 -59.0 -50.7 4.5 -1.9 20.3 135 135 A V H >< S+ 0 0 16 -4,-2.5 3,-1.1 1,-0.2 4,-0.3 0.923 111.3 54.3 -58.5 -39.0 1.7 -4.4 20.7 136 136 A L H 3< S+ 0 0 16 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.716 117.6 35.2 -71.5 -19.6 -0.8 -1.6 19.9 137 137 A T H X< S+ 0 0 34 -4,-1.2 3,-1.5 -3,-0.7 -1,-0.3 0.342 88.3 101.4-108.1 4.4 0.9 -0.7 16.7 138 138 A S T << S+ 0 0 54 -3,-1.1 3,-0.2 -4,-0.7 -2,-0.1 0.718 85.8 43.5 -67.6 -21.9 2.0 -4.3 15.7 139 139 A K T 3 S+ 0 0 67 -4,-0.3 -1,-0.3 -55,-0.2 -2,-0.1 0.264 79.8 108.2-106.5 11.0 -0.9 -4.8 13.1 140 140 A Y < 0 0 16 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.796 360.0 360.0 -61.2 -33.5 -0.6 -1.3 11.5 141 141 A R 0 0 84 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.356 360.0 360.0-159.9 360.0 0.9 -2.7 8.3 142 !* 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 0.0 143 1 B V 0 0 55 0, 0.0 2,-2.5 0, 0.0 79,-0.0 0.000 360.0 360.0 360.0 122.6 10.9 29.5 21.8 144 2 B H + 0 0 157 130,-0.1 2,-0.3 77,-0.0 77,-0.1 -0.352 360.0 160.7 -77.4 72.6 7.3 30.8 21.7 145 3 B L - 0 0 17 -2,-2.5 126,-0.0 75,-0.2 3,-0.0 -0.634 38.6-120.9 -85.9 147.7 6.3 30.9 25.4 146 4 B T > - 0 0 68 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.375 29.5-107.3 -71.2 157.7 3.4 33.0 26.5 147 5 B P H > S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.956 122.5 43.7 -55.4 -40.4 4.1 35.6 29.1 148 6 B E H > S+ 0 0 151 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.839 109.2 57.9 -76.5 -25.7 2.3 33.6 31.8 149 7 B E H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 106.8 48.4 -64.3 -45.2 4.1 30.4 30.7 150 8 B K H X S+ 0 0 66 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.934 111.2 52.0 -57.3 -44.4 7.4 32.2 31.2 151 9 B S H X S+ 0 0 71 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.922 108.0 49.7 -56.4 -49.2 6.0 33.2 34.6 152 10 B A H X S+ 0 0 29 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.901 110.8 50.4 -57.3 -41.0 5.1 29.6 35.5 153 11 B V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.948 114.1 43.7 -65.5 -49.6 8.5 28.3 34.5 154 12 B T H X S+ 0 0 81 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.936 111.9 52.1 -62.7 -49.2 10.4 30.9 36.6 155 13 B A H < S+ 0 0 67 -4,-2.9 3,-0.3 1,-0.2 4,-0.3 0.956 115.1 42.0 -51.5 -53.5 8.1 30.6 39.6 156 14 B L H >< S+ 0 0 5 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.895 109.7 58.2 -62.2 -38.1 8.6 26.9 39.7 157 15 B W H >< S+ 0 0 26 -4,-2.4 3,-2.2 1,-0.3 -1,-0.2 0.836 91.4 71.7 -68.8 -29.6 12.3 27.2 39.0 158 16 B G T 3< S+ 0 0 70 -4,-2.2 -1,-0.3 -3,-0.3 -2,-0.2 0.629 96.9 51.3 -53.2 -17.4 12.8 29.3 42.1 159 17 B K T < S+ 0 0 115 -3,-1.9 2,-0.5 -4,-0.3 -1,-0.3 0.378 89.7 104.2-103.6 2.1 12.2 26.3 44.2 160 18 B V < - 0 0 17 -3,-2.2 2,-0.5 -4,-0.1 96,-0.0 -0.740 53.7-159.1 -91.9 125.9 14.7 24.1 42.5 161 19 B N > - 0 0 83 -2,-0.5 4,-3.6 1,-0.1 -2,-0.0 -0.909 15.4-153.5 -95.4 140.9 18.1 23.2 43.8 162 20 B V H >>S+ 0 0 25 -2,-0.5 4,-3.5 2,-0.3 5,-1.3 0.829 83.5 53.1 -94.5 -40.0 20.2 22.2 41.0 163 21 B D H >5S+ 0 0 53 3,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.930 122.2 41.8 -60.8 -41.9 23.0 19.9 42.0 164 22 B E H >5S+ 0 0 93 3,-0.2 4,-2.1 2,-0.2 -2,-0.3 0.977 128.0 29.7 -60.7 -60.6 20.1 18.1 43.4 165 23 B V H X5S+ 0 0 0 -4,-3.6 4,-3.1 2,-0.2 5,-0.3 0.960 126.2 43.0 -73.4 -51.6 17.9 18.7 40.3 166 24 B G H X5S+ 0 0 1 -4,-3.5 4,-2.7 1,-0.2 5,-0.4 0.961 119.3 47.0 -51.9 -52.1 20.6 18.9 37.7 167 25 B G H X< S- 0 0 25 -4,-2.5 3,-2.3 -5,-0.4 -1,-0.3 -0.760 75.9-179.7-128.6 71.6 18.3 5.4 28.7 178 36 B P G > + 0 0 38 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.703 67.5 76.7 -64.8 -13.1 21.6 3.8 29.6 179 37 B W G > S+ 0 0 19 1,-0.3 3,-1.8 2,-0.2 4,-0.1 0.747 80.9 72.6 -68.5 -16.2 23.2 4.3 26.2 180 38 B T G X S+ 0 0 2 -3,-2.3 3,-0.8 -7,-0.3 -1,-0.3 0.510 80.4 74.0 -70.8 -7.1 23.7 7.9 27.2 181 39 B Q G X + 0 0 37 -3,-2.0 3,-4.2 1,-0.2 -1,-0.3 0.643 67.6 93.3 -79.9 -18.1 26.4 6.6 29.5 182 40 B R G X S+ 0 0 60 -3,-1.8 3,-0.5 1,-0.3 -1,-0.2 0.742 82.8 54.5 -44.5 -27.8 28.5 6.1 26.4 183 41 B F G < S+ 0 0 58 -3,-0.8 -1,-0.3 1,-0.2 3,-0.2 0.383 104.9 63.4 -85.8 8.0 29.9 9.5 27.2 184 42 B F G X + 0 0 23 -3,-4.2 3,-1.6 1,-0.1 4,-0.2 0.064 46.5 120.5-133.7 14.1 30.7 8.1 30.7 185 43 B E G X S+ 0 0 125 -3,-0.5 3,-1.4 1,-0.2 -1,-0.1 0.853 76.9 67.2 -38.8 -35.9 33.2 5.3 30.6 186 44 B S G 3 S+ 0 0 108 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.837 85.2 70.2 -68.0 -22.0 35.3 7.6 32.8 187 45 B F G < S- 0 0 28 -3,-1.6 2,-0.5 1,-0.2 -1,-0.3 0.456 79.1-159.2 -78.0 -5.0 32.9 7.4 35.8 188 46 B G S < S+ 0 0 64 -3,-1.4 2,-0.8 -4,-0.2 -1,-0.2 -0.442 70.7 49.1 65.6-111.4 33.6 3.7 36.8 189 47 B D + 0 0 92 -2,-0.5 10,-0.0 1,-0.2 -1,-0.0 -0.549 50.2 127.0 -75.4 110.4 30.6 2.7 38.8 190 48 B L + 0 0 17 -2,-0.8 -1,-0.2 -16,-0.0 6,-0.1 -0.415 43.6 124.7-136.0 29.2 27.5 3.6 36.9 191 49 B S S S+ 0 0 94 1,-0.1 -2,-0.1 4,-0.0 3,-0.1 0.736 70.7 18.2 -76.1 -24.3 26.9 -0.1 37.6 192 50 B T S > S- 0 0 67 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.958 81.8-105.6-138.2 167.7 23.5 0.4 39.4 193 51 B P H > S+ 0 0 44 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.938 122.7 48.3 -56.9 -49.8 20.8 3.0 39.7 194 52 B D H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.912 110.6 53.8 -57.2 -42.6 21.9 3.9 43.2 195 53 B A H > S+ 0 0 14 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.909 111.8 43.6 -52.5 -47.3 25.5 4.1 41.9 196 54 B V H >< S+ 0 0 2 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.945 114.0 48.8 -69.8 -46.3 24.5 6.5 39.2 197 55 B M H 3< S+ 0 0 42 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.806 116.2 43.3 -66.4 -28.9 22.4 8.7 41.4 198 56 B G H 3< S+ 0 0 34 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.536 82.6 122.0 -93.6 -5.0 25.0 8.9 44.1 199 57 B N S+ 0 0 88 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.824 96.7 56.8 -67.7 -22.9 29.6 12.8 42.7 201 59 B K H > S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.900 106.8 45.9 -67.6 -51.0 30.7 13.0 39.0 202 60 B V H > S+ 0 0 0 2,-0.2 4,-2.9 -6,-0.2 5,-0.2 0.904 112.8 53.1 -56.4 -44.2 27.2 12.8 37.7 203 61 B K H X S+ 0 0 89 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.945 108.3 47.7 -63.5 -48.5 26.2 15.3 40.3 204 62 B A H X S+ 0 0 55 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.864 114.5 47.3 -63.3 -35.1 28.8 17.9 39.3 205 63 B H H X S+ 0 0 57 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.895 108.2 55.0 -72.9 -37.3 28.0 17.5 35.6 206 64 B G H X S+ 0 0 1 -4,-2.9 4,-3.3 2,-0.2 5,-0.3 0.917 109.0 49.9 -52.7 -48.7 24.2 17.8 36.4 207 65 B K H X S+ 0 0 105 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.947 110.7 47.5 -56.8 -51.2 25.0 21.1 38.0 208 66 B K H X S+ 0 0 138 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.921 115.5 46.4 -58.2 -46.2 27.0 22.3 35.1 209 67 B V H X S+ 0 0 42 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.944 115.0 43.4 -64.5 -48.8 24.3 21.3 32.7 210 68 B L H X S+ 0 0 5 -4,-3.3 4,-3.1 2,-0.2 -2,-0.2 0.820 108.7 59.9 -70.9 -24.4 21.3 22.8 34.6 211 69 B G H X S+ 0 0 37 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.931 108.4 44.1 -64.1 -44.9 23.3 26.0 35.3 212 70 B A H X S+ 0 0 33 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.915 114.3 50.2 -64.4 -45.4 23.6 26.5 31.6 213 71 B F H X S+ 0 0 14 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.885 108.2 53.5 -59.4 -36.5 19.9 25.6 31.3 214 72 B S H >X S+ 0 0 41 -4,-3.1 3,-0.8 1,-0.2 4,-0.6 0.883 105.8 52.4 -64.9 -44.6 19.0 28.1 34.1 215 73 B D H >< S+ 0 0 87 -4,-2.1 3,-1.4 1,-0.3 4,-0.3 0.862 100.4 62.8 -66.0 -31.9 20.8 30.9 32.3 216 74 B G H >< S+ 0 0 0 -4,-1.6 3,-1.6 1,-0.3 -1,-0.3 0.790 90.3 67.0 -62.2 -26.0 18.8 30.1 29.2 217 75 B L H X< S+ 0 0 22 -3,-0.8 3,-0.7 -4,-0.7 -1,-0.3 0.786 97.1 55.3 -62.7 -25.1 15.6 30.9 31.2 218 76 B A T << S+ 0 0 71 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.550 113.9 41.0 -77.3 -8.7 16.9 34.5 31.2 219 77 B H T X + 0 0 63 -3,-1.6 3,-4.0 -4,-0.3 7,-0.2 -0.144 66.7 144.2-131.4 36.4 17.2 34.4 27.4 220 78 B L T < S+ 0 0 7 -3,-0.7 3,-0.4 1,-0.3 -75,-0.2 0.696 80.0 48.8 -65.9 -15.7 14.0 32.6 26.4 221 79 B D T 3 S+ 0 0 126 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.508 115.9 46.9 -93.3 -8.7 13.8 34.8 23.3 222 80 B N <> + 0 0 84 -3,-4.0 4,-2.4 -6,-0.2 -1,-0.2 -0.402 64.0 132.0-128.8 55.2 17.4 34.1 22.6 223 81 B L H > S+ 0 0 9 -3,-0.4 4,-1.7 2,-0.2 5,-0.2 0.982 77.1 47.4 -73.2 -50.1 18.0 30.3 22.9 224 82 B K H >> S+ 0 0 117 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.964 117.3 47.1 -55.4 -48.9 19.9 29.8 19.6 225 83 B G H >4 S+ 0 0 39 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.948 111.7 46.2 -49.4 -63.4 22.0 32.8 20.5 226 84 B T H 3< S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.689 120.5 39.6 -63.7 -14.9 22.8 31.9 24.1 227 85 B F H S+ 0 0 114 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.894 118.9 51.5 -69.8 -28.5 29.1 28.4 21.0 230 88 B L H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -2,-0.3 0.869 106.6 53.6 -68.5 -36.1 27.9 25.6 23.4 231 89 B S H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.956 108.1 50.9 -63.5 -43.9 26.2 23.9 20.4 232 90 B E H X S+ 0 0 89 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.882 108.8 51.1 -59.6 -40.9 29.5 24.0 18.5 233 91 B L H X>S+ 0 0 77 -4,-1.8 4,-2.0 1,-0.2 5,-1.8 0.946 108.5 50.6 -60.7 -48.6 31.4 22.4 21.4 234 92 B H H <>S+ 0 0 29 -4,-2.1 6,-2.1 3,-0.2 5,-0.6 0.854 118.4 39.0 -62.8 -31.3 28.9 19.5 21.8 235 93 B C H X5S+ 0 0 11 -4,-1.9 4,-0.6 4,-0.2 -2,-0.2 0.975 122.2 37.2 -78.0 -57.8 29.2 18.8 18.0 236 94 B D H <5S+ 0 0 72 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.851 133.7 12.5 -72.8 -37.6 32.9 19.3 17.3 237 95 B K T <5S+ 0 0 155 -4,-2.0 -3,-0.2 -5,-0.4 -1,-0.2 0.834 130.6 39.1-107.4 -42.3 34.6 18.0 20.5 238 96 B L T 4 - 0 0 3 -2,-0.7 3,-2.4 1,-0.2 4,-0.3 -0.440 19.9-131.0 -59.6 122.6 24.0 13.1 19.3 242 100 B P T >> S+ 0 0 3 0, 0.0 4,-1.2 0, 0.0 3,-1.1 0.635 101.9 78.2 -53.7 -17.3 21.3 15.9 19.9 243 101 B E H 3> S+ 0 0 47 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.864 84.6 62.9 -59.2 -33.2 18.8 13.2 20.5 244 102 B N H <> S+ 0 0 9 -3,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.824 98.3 55.3 -56.7 -34.6 20.4 12.9 24.0 245 103 B F H <> S+ 0 0 24 -3,-1.1 4,-2.0 -4,-0.3 -1,-0.2 0.857 107.3 49.4 -66.1 -42.0 19.3 16.6 24.7 246 104 B R H X S+ 0 0 95 -4,-1.2 4,-2.0 -3,-0.3 -2,-0.2 0.920 112.0 47.9 -62.2 -45.6 15.7 15.6 23.9 247 105 B L H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 110.7 50.6 -62.6 -44.0 15.9 12.6 26.2 248 106 B L H X S+ 0 0 32 -4,-2.5 4,-3.5 1,-0.2 -1,-0.2 0.909 108.1 55.1 -59.8 -39.3 17.4 14.7 29.0 249 107 B G H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.894 108.2 46.4 -61.4 -42.4 14.6 17.2 28.5 250 108 B N H X S+ 0 0 47 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.927 114.2 48.4 -69.4 -37.8 11.9 14.5 29.0 251 109 B V H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.923 107.8 54.5 -63.7 -43.0 13.7 13.2 32.1 252 110 B L H X S+ 0 0 6 -4,-3.5 4,-2.4 1,-0.2 -2,-0.2 0.930 109.3 49.0 -54.5 -44.8 14.1 16.7 33.4 253 111 B V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.929 111.2 49.0 -59.9 -47.3 10.3 17.1 33.1 254 112 B C H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.865 112.0 49.3 -57.5 -39.3 9.7 13.7 34.9 255 113 B V H X S+ 0 0 5 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.875 109.7 50.9 -69.5 -38.4 12.1 14.8 37.7 256 114 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.886 112.0 46.9 -68.1 -40.7 10.3 18.1 38.0 257 115 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 7,-0.2 0.939 113.8 48.6 -61.8 -47.9 6.9 16.2 38.2 258 116 B H H < S+ 0 0 50 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.892 116.8 42.4 -60.3 -38.6 8.4 13.8 40.8 259 117 B H H < S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.836 124.5 32.3 -79.9 -38.8 9.9 16.6 42.8 260 118 B F H >< S- 0 0 23 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.591 84.7-175.3 -98.7 -12.5 6.9 19.1 42.8 261 119 B G G >< S+ 0 0 15 -4,-2.4 3,-2.8 1,-0.3 -1,-0.2 -0.217 71.0 5.5 57.3-135.8 4.0 16.6 42.6 262 120 B K G 3 S+ 0 0 170 1,-0.3 -1,-0.3 -151,-0.3 -151,-0.1 0.743 124.3 68.3 -52.0 -31.7 0.6 18.2 42.3 263 121 B E G < S+ 0 0 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1,-0.3 -3,-0.2 0.804 130.0 28.6 -79.9 -28.1 21.2 14.5 4.9 325 36 C F >< - 0 0 39 -4,-2.5 3,-2.3 -5,-0.3 4,-0.3 -0.670 67.6-176.9-138.3 73.6 21.4 14.0 8.7 326 37 C P G > S+ 0 0 46 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.765 75.4 72.4 -52.2 -29.0 24.7 15.5 9.9 327 38 C T G > S+ 0 0 37 1,-0.3 3,-1.7 2,-0.2 4,-0.1 0.806 83.9 66.6 -59.6 -27.7 24.0 14.4 13.6 328 39 C T G X S+ 0 0 2 -3,-2.3 3,-1.6 -7,-0.3 -1,-0.3 0.732 85.4 73.1 -64.3 -20.5 24.6 10.8 12.7 329 40 C K G X S+ 0 0 62 -3,-2.1 3,-1.8 -4,-0.3 -1,-0.3 0.667 76.0 80.8 -69.0 -14.2 28.3 11.8 12.1 330 41 C T G < S+ 0 0 10 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.702 87.0 56.5 -65.4 -15.9 28.6 12.1 15.9 331 42 C Y G < S+ 0 0 22 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.426 105.3 52.0 -92.5 -1.2 29.1 8.2 16.0 332 43 C F X + 0 0 29 -3,-1.8 3,-0.9 1,-0.1 -1,-0.2 -0.368 56.9 140.5-134.0 50.6 32.1 8.3 13.6 333 44 C P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.733 76.7 54.0 -71.6 -20.3 34.5 10.8 15.1 334 45 C H T 3 S+ 0 0 120 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.627 95.5 86.1 -84.6 -17.8 37.3 8.5 14.1 335 46 C F S < S- 0 0 45 -3,-0.9 2,-0.6 -6,-0.2 -3,-0.1 -0.607 77.0-128.9 -87.7 143.0 36.3 8.2 10.4 336 47 C D - 0 0 88 -2,-0.3 8,-0.4 1,-0.1 7,-0.2 -0.810 28.1-171.0 -73.8 122.1 37.2 10.4 7.5 337 48 C L + 0 0 44 -2,-0.6 3,-0.1 6,-0.1 -1,-0.1 0.261 36.4 127.6-107.6 13.7 33.7 10.9 6.2 338 49 C S S > S- 0 0 64 1,-0.2 3,-2.3 2,-0.1 6,-0.2 -0.255 76.3 -78.8 -68.8 155.9 34.6 12.7 3.0 339 50 C H T 3 S+ 0 0 149 1,-0.3 -1,-0.2 5,-0.0 -2,-0.0 -0.297 121.5 23.6 -52.3 134.9 33.2 11.4 -0.3 340 51 C G T 3 S+ 0 0 34 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.295 83.1 160.8 96.7 -11.1 35.2 8.4 -1.4 341 52 C S <> - 0 0 12 -3,-2.3 4,-2.4 1,-0.2 -1,-0.3 -0.173 37.2-148.8 -51.5 127.2 36.4 7.5 2.1 342 53 C A H > S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.790 99.0 59.1 -68.3 -26.7 37.6 3.9 2.3 343 54 C Q H > S+ 0 0 86 2,-0.2 4,-2.4 -7,-0.2 -1,-0.2 0.907 108.4 43.9 -63.5 -42.0 36.4 3.8 5.9 344 55 C V H > S+ 0 0 10 -8,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.920 115.3 49.5 -70.0 -43.6 32.9 4.7 4.8 345 56 C K H X S+ 0 0 111 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.916 113.5 45.1 -61.1 -43.5 33.2 2.2 1.9 346 57 C G H X S+ 0 0 26 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.919 113.5 49.3 -71.6 -39.4 34.4 -0.6 4.2 347 58 C H H X S+ 0 0 51 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.884 109.7 54.3 -65.6 -31.3 31.8 0.2 6.9 348 59 C G H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.882 102.7 55.2 -69.3 -39.3 29.2 0.1 4.1 349 60 C K H X S+ 0 0 110 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.939 109.3 47.8 -56.5 -47.8 30.2 -3.3 3.0 350 61 C K H X S+ 0 0 146 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.896 112.6 47.3 -63.5 -40.0 29.7 -4.6 6.5 351 62 C V H X S+ 0 0 28 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.948 113.6 48.5 -63.1 -48.4 26.3 -3.0 6.9 352 63 C A H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.939 110.7 52.3 -62.0 -42.4 25.2 -4.3 3.5 353 64 C D H X S+ 0 0 89 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.856 106.7 51.7 -59.5 -40.4 26.5 -7.8 4.5 354 65 C A H X S+ 0 0 23 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.915 108.8 51.1 -60.0 -46.1 24.5 -7.8 7.7 355 66 C L H X S+ 0 0 8 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3,-0.1 0.382 87.2 76.1 -83.8 3.6 -14.0 9.3 0.5 476 45 D F G < S- 0 0 35 -3,-2.2 2,-0.4 1,-0.3 14,-0.3 0.530 97.0-140.5 -85.7 -5.7 -11.5 8.5 -2.2 477 46 D G < + 0 0 46 -3,-1.0 2,-0.5 -4,-0.2 -1,-0.3 -0.684 60.1 31.2 89.1-135.6 -12.9 4.9 -2.2 478 47 D D + 0 0 93 -2,-0.4 10,-0.1 1,-0.1 3,-0.0 -0.561 49.9 147.6 -80.7 124.1 -11.0 1.7 -2.6 479 48 D L + 0 0 11 -2,-0.5 -1,-0.1 7,-0.0 6,-0.1 -0.047 33.4 118.9-136.0 23.3 -7.5 1.8 -1.2 480 49 D S S S+ 0 0 89 4,-0.1 3,-0.1 5,-0.0 -2,-0.0 0.444 73.9 28.0 -85.2 -10.7 -7.3 -1.9 -0.1 481 50 D T S > S- 0 0 70 1,-0.1 4,-3.1 -3,-0.0 5,-0.3 -0.965 82.7-110.6-141.3 164.2 -4.4 -3.0 -2.2 482 51 D P H > S+ 0 0 48 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.944 122.4 51.7 -58.8 -38.8 -1.3 -1.4 -3.6 483 52 D D H > S+ 0 0 135 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.932 109.7 49.3 -66.2 -41.5 -2.9 -1.8 -7.0 484 53 D A H 4 S+ 0 0 18 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.922 113.7 45.6 -61.8 -43.8 -6.1 -0.2 -5.8 485 54 D V H >< S+ 0 0 1 -4,-3.1 3,-0.8 1,-0.2 -1,-0.2 0.900 114.3 46.7 -64.5 -44.1 -4.3 2.8 -4.4 486 55 D M H 3< S+ 0 0 49 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.708 115.6 46.3 -78.4 -14.6 -2.0 3.4 -7.3 487 56 D G T 3< S+ 0 0 53 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.397 85.2 115.6-102.4 -0.6 -4.9 3.0 -9.8 488 57 D N <> - 0 0 14 -3,-0.8 4,-2.1 -4,-0.5 5,-0.2 -0.566 53.2-156.6 -71.7 120.2 -7.3 5.3 -7.8 489 58 D P H > S+ 0 0 96 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.832 91.6 53.4 -70.8 -30.1 -8.1 8.5 -9.7 490 59 D K H > S+ 0 0 120 -14,-0.3 4,-2.7 2,-0.2 5,-0.2 0.868 108.1 53.2 -68.0 -38.1 -9.1 10.6 -6.6 491 60 D V H > S+ 0 0 2 -15,-0.2 4,-2.9 2,-0.2 5,-0.2 0.973 111.5 45.2 -59.3 -49.1 -5.6 9.7 -5.2 492 61 D K H X S+ 0 0 99 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.921 113.4 50.5 -58.3 -42.1 -3.9 10.9 -8.4 493 62 D A H X S+ 0 0 35 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.918 113.7 43.2 -62.4 -47.1 -6.0 14.0 -8.4 494 63 D H H X S+ 0 0 50 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.923 109.0 58.7 -66.6 -40.6 -5.3 15.0 -4.9 495 64 D G H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.3 5,-0.3 0.858 104.6 51.6 -53.1 -43.8 -1.6 14.1 -5.3 496 65 D K H X S+ 0 0 87 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.3 0.897 110.3 48.7 -68.0 -32.4 -1.4 16.7 -8.1 497 66 D K H X S+ 0 0 149 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.962 112.7 46.9 -68.0 -50.3 -3.0 19.3 -5.8 498 67 D V H X S+ 0 0 45 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.929 116.9 42.4 -46.7 -51.8 -0.6 18.5 -2.8 499 68 D L H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.751 108.8 59.7 -80.2 -24.5 2.6 18.6 -4.9 500 69 D G H X S+ 0 0 21 -4,-1.4 4,-1.9 -5,-0.3 -1,-0.2 0.925 108.5 44.8 -65.1 -44.8 1.4 21.6 -6.9 501 70 D A H X S+ 0 0 28 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.874 112.0 52.3 -67.9 -35.3 1.3 23.5 -3.6 502 71 D F H X S+ 0 0 18 -4,-1.9 4,-0.8 2,-0.2 3,-0.3 0.932 108.5 52.0 -57.6 -49.0 4.6 22.0 -2.6 503 72 D S H >< S+ 0 0 30 -4,-2.6 3,-1.1 1,-0.3 4,-0.4 0.882 104.5 54.2 -54.4 -47.2 6.0 23.3 -6.0 504 73 D D H >< S+ 0 0 112 -4,-1.9 3,-1.1 1,-0.3 -1,-0.3 0.842 104.2 59.3 -59.3 -34.6 4.7 26.8 -5.4 505 74 D G H >< S+ 0 0 0 -4,-1.3 3,-2.1 -3,-0.3 -1,-0.3 0.767 88.3 70.1 -67.0 -25.0 6.7 26.6 -2.1 506 75 D L G X< S+ 0 0 27 -3,-1.1 3,-0.6 -4,-0.8 -1,-0.2 0.692 92.3 60.6 -70.4 -15.3 10.0 26.0 -3.8 507 76 D A G < S+ 0 0 78 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.373 107.8 45.6 -90.0 4.7 9.9 29.6 -5.0 508 77 D H G X + 0 0 104 -3,-2.1 3,-2.4 1,-0.1 -1,-0.2 -0.165 64.6 146.2-138.2 42.9 9.8 30.8 -1.4 509 78 D L T < S+ 0 0 13 -3,-0.6 3,-0.4 1,-0.3 -2,-0.1 0.674 71.1 56.0 -65.0 -19.3 12.4 28.8 0.3 510 79 D D T 3 S+ 0 0 115 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.390 116.0 33.8 -92.7 -1.8 13.3 31.6 2.7 511 80 D N <> + 0 0 97 -3,-2.4 4,-1.6 -6,-0.2 -1,-0.2 -0.307 64.6 147.1-150.7 68.2 9.8 32.1 4.1 512 81 D L H > S+ 0 0 10 -3,-0.4 4,-1.8 1,-0.2 5,-0.1 0.909 72.6 56.7 -67.8 -40.5 8.2 28.7 4.2 513 82 D K H > S+ 0 0 96 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.938 109.7 42.8 -57.5 -50.8 6.2 29.6 7.3 514 83 D G H 4 S+ 0 0 51 1,-0.2 4,-0.3 2,-0.2 3,-0.2 0.857 114.3 53.4 -64.5 -30.3 4.5 32.6 5.7 515 84 D T H < S+ 0 0 54 -4,-1.6 4,-0.2 1,-0.2 -1,-0.2 0.813 118.6 32.0 -74.5 -29.2 3.9 30.7 2.5 516 85 D F H X S+ 0 0 7 -4,-1.8 4,-2.6 -3,-0.2 -1,-0.2 0.291 85.6 107.7-114.6 8.2 2.2 27.7 4.1 517 86 D A H X S+ 0 0 20 -4,-0.7 4,-2.3 1,-0.2 5,-0.1 0.853 83.6 44.3 -59.0 -35.8 0.5 29.5 7.0 518 87 D T H > S+ 0 0 103 -4,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.929 114.8 45.5 -77.2 -48.8 -3.0 29.2 5.5 519 88 D L H > S+ 0 0 57 -4,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.791 109.7 58.1 -57.3 -39.1 -2.6 25.8 4.5 520 89 D S H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.962 108.1 46.1 -53.2 -51.3 -1.2 25.2 8.0 521 90 D E H X>S+ 0 0 85 -4,-2.3 4,-2.8 1,-0.2 5,-0.5 0.881 111.1 53.2 -60.8 -41.7 -4.4 26.5 9.5 522 91 D L H X>S+ 0 0 62 -4,-2.3 5,-2.5 1,-0.2 4,-1.6 0.920 109.1 47.6 -62.4 -44.6 -6.5 24.4 7.2 523 92 D H H <5S+ 0 0 37 -4,-2.3 6,-2.5 3,-0.2 5,-0.3 0.850 119.2 39.9 -69.4 -39.1 -4.8 21.2 8.0 524 93 D C H X5S+ 0 0 10 -4,-2.0 4,-0.7 4,-0.2 -2,-0.2 0.967 126.9 29.0 -64.7 -65.8 -5.0 21.8 11.8 525 94 D D H <5S+ 0 0 87 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.856 133.1 21.6 -78.3 -38.6 -8.5 23.3 12.1 526 95 D K T < - 0 0 3 -2,-0.6 3,-2.5 1,-0.2 4,-0.3 -0.503 19.4-132.6 -54.4 119.0 -1.4 15.1 12.5 531 100 D P T >> S+ 0 0 14 0, 0.0 3,-1.4 0, 0.0 4,-0.8 0.635 99.6 80.2 -55.0 -17.2 1.7 17.0 11.1 532 101 D E H >> S+ 0 0 30 1,-0.3 4,-2.0 2,-0.2 3,-0.8 0.854 83.1 67.2 -56.4 -28.7 3.7 13.8 11.5 533 102 D N H <> S+ 0 0 13 -3,-2.5 4,-2.4 1,-0.3 -1,-0.3 0.818 92.9 57.7 -58.1 -34.9 2.0 12.9 8.1 534 103 D F H <> S+ 0 0 25 -3,-1.4 4,-1.9 -4,-0.3 -1,-0.3 0.854 104.1 50.8 -65.9 -35.0 3.9 15.7 6.5 535 104 D R H < S- 0 0 27 -4,-2.9 3,-1.6 -5,-0.2 -2,-0.2 0.644 85.1-176.3 -94.0 -9.1 15.8 10.1 -11.4 550 119 D G G >< + 0 0 14 -4,-2.1 3,-2.8 -5,-0.3 -1,-0.2 -0.226 68.2 7.4 48.0-133.4 18.1 7.3 -10.3 551 120 D K G 3 S+ 0 0 179 -151,-0.3 -1,-0.2 1,-0.3 -150,-0.1 0.699 122.1 67.9 -52.6 -24.4 21.8 8.2 -10.2 552 121 D E G < S+ 0 0 66 -3,-1.6 2,-1.7 1,-0.2 -1,-0.3 0.682 82.3 78.1 -70.3 -19.6 21.1 11.9 -10.8 553 122 D F S < S- 0 0 0 -3,-2.8 -1,-0.2 -7,-0.2 -153,-0.1 -0.609 80.0-177.5 -84.8 72.0 19.5 12.0 -7.4 554 123 D T > - 0 0 50 -2,-1.7 4,-3.1 1,-0.1 5,-0.3 -0.173 42.2-100.8 -75.3 165.0 22.9 12.1 -5.8 555 124 D P H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.925 125.9 49.8 -48.3 -46.9 23.6 12.1 -2.0 556 125 D P H > S+ 0 0 68 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.879 110.7 47.8 -60.8 -38.9 24.2 15.8 -2.2 557 126 D V H > S+ 0 0 18 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.909 112.1 51.8 -65.5 -41.6 20.9 16.4 -4.1 558 127 D Q H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.949 105.5 54.6 -56.4 -47.8 19.1 14.2 -1.6 559 128 D A H X S+ 0 0 3 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.902 108.1 49.7 -57.0 -39.4 20.6 16.2 1.3 560 129 D A H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.934 112.4 45.9 -62.5 -49.1 19.2 19.4 -0.3 561 130 D Y H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.809 107.6 58.6 -63.2 -35.3 15.7 17.9 -0.7 562 131 D Q H X S+ 0 0 8 -4,-3.1 4,-2.0 -5,-0.2 5,-0.2 0.932 107.1 47.2 -62.8 -42.0 15.8 16.5 2.8 563 132 D K H X S+ 0 0 75 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.902 113.7 49.2 -62.5 -41.1 16.3 20.1 4.1 564 133 D V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.952 112.2 45.5 -63.4 -47.2 13.4 21.3 1.9 565 134 D V H X S+ 0 0 9 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.874 112.6 50.2 -72.2 -34.0 10.9 18.6 2.9 566 135 D A H X S+ 0 0 49 -4,-2.0 4,-2.4 -5,-0.3 5,-0.3 0.924 112.2 51.1 -69.5 -36.9 11.7 19.0 6.6 567 136 D G H X S+ 0 0 4 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.905 109.9 47.3 -60.6 -48.5 11.2 22.8 6.0 568 137 D V H X S+ 0 0 10 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.911 112.7 50.3 -59.8 -46.4 7.8 22.4 4.4 569 138 D A H X S+ 0 0 10 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.939 110.7 47.0 -58.6 -38.6 6.7 20.1 7.1 570 139 D N H X S+ 0 0 99 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.907 113.3 52.4 -75.2 -32.6 7.7 22.4 9.9 571 140 D A H >< S+ 0 0 1 -4,-2.4 3,-0.6 -5,-0.3 4,-0.3 0.918 109.3 45.8 -66.2 -41.0 6.0 25.1 8.0 572 141 D L H 3< S+ 0 0 18 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.719 115.8 49.4 -75.5 -18.9 2.7 23.2 7.6 573 142 D A H >< S+ 0 0 30 -4,-1.5 3,-1.6 -5,-0.2 -1,-0.2 0.615 88.1 89.0 -86.9 -11.0 2.9 22.3 11.3 574 143 D H T << S+ 0 0 77 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.1 0.718 84.3 47.3 -67.3 -29.3 3.6 25.8 12.5 575 144 D K T 3 S+ 0 0 84 -4,-0.3 -1,-0.3 -3,-0.3 2,-0.1 0.284 81.6 123.7-100.4 10.5 0.0 27.1 13.0 576 145 D Y < 0 0 26 -3,-1.6 -538,-0.1 -52,-0.1 -55,-0.1 -0.467 360.0 360.0 -67.9 143.9 -1.1 24.0 14.9 577 146 D H 0 0 127 -540,-0.2 -537,-0.1 -2,-0.1 -2,-0.1 -0.923 360.0 360.0-154.7 360.0 -2.6 24.8 18.3