==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 19-MAY-01 1J7W . COMPND 2 MOLECULE: HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.E.MIELE,F.DRAGHI,A.ARCOVITO,A.BELLELLI,M.BRUNORI, . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 77.0 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 . 86 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 1 1 0 0 3 0 2 0 0 3 4 1 2 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 M 0 0 193 0, 0.0 2,-0.5 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0 134.5 10.3 21.3 7.0 2 2 A L - 0 0 20 71,-0.1 122,-0.0 125,-0.1 3,-0.0 -0.708 360.0-146.5 -83.2 128.4 6.7 22.1 7.8 3 3 A S > - 0 0 44 -2,-0.5 4,-3.4 1,-0.1 5,-0.2 -0.388 29.6-101.0 -83.3 171.8 4.8 23.9 5.0 4 4 A P H > S+ 0 0 106 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.948 127.7 48.1 -60.1 -45.8 2.1 26.6 5.4 5 5 A A H > S+ 0 0 59 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.955 109.7 53.7 -64.1 -40.0 -0.6 23.9 4.6 6 6 A D H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.962 111.1 46.1 -57.4 -46.4 1.2 21.6 7.2 7 7 A K H X S+ 0 0 54 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.916 112.1 49.8 -62.5 -42.6 0.9 24.3 9.8 8 8 A T H X S+ 0 0 96 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.910 111.5 49.2 -60.1 -45.1 -2.7 25.1 9.0 9 9 A N H X S+ 0 0 45 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.919 112.9 46.6 -58.0 -46.2 -3.7 21.3 9.2 10 10 A V H X S+ 0 0 3 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.979 113.3 47.9 -64.3 -49.6 -1.9 20.8 12.6 11 11 A K H X S+ 0 0 99 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.940 114.6 47.2 -61.3 -38.9 -3.5 24.0 14.1 12 12 A A H X S+ 0 0 65 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.880 114.6 45.5 -66.2 -40.9 -7.0 23.0 12.9 13 13 A A H X S+ 0 0 4 -4,-2.3 4,-1.7 1,-0.2 3,-0.4 0.960 116.5 44.6 -68.0 -47.2 -6.7 19.3 14.1 14 14 A W H X S+ 0 0 35 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.762 107.2 59.8 -68.3 -28.9 -5.3 20.3 17.5 15 15 A G H < S+ 0 0 56 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.862 106.4 48.8 -62.2 -37.3 -7.9 23.1 17.8 16 16 A K H < S+ 0 0 123 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.874 105.1 56.7 -71.0 -38.2 -10.5 20.3 17.5 17 17 A V H >< S+ 0 0 1 -4,-1.7 3,-2.2 1,-0.1 -2,-0.2 0.970 82.9 141.4 -51.9 -55.3 -8.8 18.3 20.2 18 18 A G G >< S+ 0 0 40 -4,-2.2 3,-1.3 1,-0.3 -1,-0.1 -0.188 70.3 5.2 62.4-126.3 -9.2 21.3 22.4 19 19 A A G 3 S+ 0 0 104 1,-0.3 3,-0.4 -3,-0.1 -1,-0.3 0.537 120.9 70.7 -74.9 -4.3 -10.0 20.5 26.0 20 20 A H G <> + 0 0 92 -3,-2.2 4,-2.4 1,-0.2 5,-0.3 0.432 66.6 107.6 -87.7 -5.3 -9.6 16.7 25.5 21 21 A A H <> S+ 0 0 10 -3,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.874 78.2 46.1 -32.1 -62.1 -5.8 17.1 25.1 22 22 A G H > S+ 0 0 13 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.940 111.9 49.9 -54.8 -52.8 -5.0 15.5 28.5 23 23 A E H > S+ 0 0 116 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.842 112.8 48.0 -54.1 -41.2 -7.4 12.5 28.1 24 24 A Y H X S+ 0 0 25 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.829 107.3 55.3 -74.7 -33.9 -5.9 11.8 24.6 25 25 A G H X S+ 0 0 5 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.917 110.2 47.0 -60.5 -44.8 -2.4 12.1 26.0 26 26 A A H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.923 111.3 49.6 -62.9 -48.9 -3.3 9.4 28.6 27 27 A E H X S+ 0 0 33 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.924 109.2 54.2 -57.4 -37.3 -4.9 7.0 26.0 28 28 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.918 108.4 47.9 -63.3 -42.8 -1.8 7.4 23.8 29 29 A L H X S+ 0 0 5 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.944 111.7 50.2 -61.2 -47.8 0.5 6.3 26.7 30 30 A E H X S+ 0 0 43 -4,-2.3 4,-2.0 1,-0.2 5,-0.3 0.919 110.3 49.9 -60.5 -47.4 -1.8 3.3 27.4 31 31 A R H X S+ 0 0 4 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.899 111.4 50.6 -53.3 -42.3 -1.8 2.2 23.8 32 32 A M H X S+ 0 0 9 -4,-2.1 4,-2.4 -5,-0.2 7,-0.3 0.945 109.0 48.3 -62.9 -54.0 2.0 2.5 23.8 33 33 A F H < S+ 0 0 11 -4,-2.6 7,-0.2 1,-0.2 -1,-0.2 0.839 117.3 42.4 -56.5 -38.2 2.6 0.4 26.9 34 34 A L H < S+ 0 0 79 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.880 120.7 40.1 -81.2 -32.7 0.3 -2.4 25.7 35 35 A S H < S+ 0 0 15 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.803 127.8 28.8 -83.7 -38.5 1.5 -2.5 22.1 36 36 A F >< - 0 0 40 -4,-2.4 3,-2.5 -5,-0.3 4,-0.3 -0.633 68.1-178.5-122.5 77.9 5.2 -2.0 22.7 37 37 A P G > S+ 0 0 48 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.733 74.3 73.1 -54.4 -22.6 6.1 -3.5 26.1 38 38 A T G > S+ 0 0 40 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.752 86.6 67.5 -63.7 -26.8 9.8 -2.5 25.9 39 39 A T G X S+ 0 0 3 -3,-2.5 3,-1.6 -7,-0.3 4,-0.3 0.779 83.2 73.2 -67.9 -18.9 8.6 1.1 26.5 40 40 A K G X S+ 0 0 70 -3,-1.6 3,-1.3 -4,-0.3 -1,-0.2 0.732 76.5 80.0 -63.9 -16.8 7.5 0.1 30.1 41 41 A T G < S+ 0 0 9 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.1 0.711 87.9 55.1 -67.4 -21.1 11.3 -0.1 31.0 42 42 A Y G < S+ 0 0 21 -3,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.525 108.4 50.5 -81.3 -5.1 11.4 3.9 31.4 43 43 A F X + 0 0 34 -3,-1.3 3,-1.3 -4,-0.3 -1,-0.2 -0.267 58.0 134.5-127.7 43.4 8.4 3.8 33.9 44 44 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.806 76.2 58.7 -71.2 -17.0 9.3 1.2 36.7 45 45 A H T 3 S+ 0 0 131 -3,-0.2 2,-0.4 2,-0.1 -2,-0.1 0.387 95.7 85.4 -90.8 4.5 8.2 3.7 39.4 46 46 A F S < S- 0 0 46 -3,-1.3 2,-0.7 8,-0.0 -3,-0.1 -0.829 78.9-125.1-111.9 144.6 4.6 4.0 37.9 47 47 A D - 0 0 85 -2,-0.4 8,-0.4 1,-0.1 7,-0.1 -0.702 29.6-175.4 -79.0 118.8 1.4 2.0 38.3 48 48 A L + 0 0 50 -2,-0.7 -1,-0.1 6,-0.1 3,-0.1 0.334 35.9 126.4-106.8 11.5 0.7 1.2 34.6 49 49 A S S > S- 0 0 66 1,-0.2 3,-1.9 2,-0.1 6,-0.2 -0.170 76.6 -82.0 -65.5 163.1 -2.6 -0.5 35.1 50 50 A H T 3 S+ 0 0 149 1,-0.3 -1,-0.2 5,-0.0 -2,-0.0 -0.390 118.8 23.4 -61.5 139.0 -5.6 0.7 33.2 51 51 A G T 3 S+ 0 0 40 1,-0.2 -1,-0.3 -3,-0.1 5,-0.1 0.229 83.2 159.3 88.3 -14.6 -7.1 3.8 34.9 52 52 A S <> - 0 0 12 -3,-1.9 4,-2.7 1,-0.1 -1,-0.2 -0.096 38.1-147.9 -53.3 129.6 -3.9 4.9 36.7 53 53 A A H > S+ 0 0 76 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.829 98.4 58.8 -66.7 -31.6 -3.8 8.6 37.8 54 54 A Q H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.917 109.0 45.1 -64.5 -42.5 0.0 8.7 37.3 55 55 A V H > S+ 0 0 12 -8,-0.4 4,-3.4 2,-0.2 -2,-0.2 0.922 114.4 49.2 -61.6 -47.8 -0.5 7.8 33.6 56 56 A K H X S+ 0 0 122 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.973 112.7 47.1 -49.5 -55.9 -3.4 10.3 33.5 57 57 A G H X S+ 0 0 38 -4,-3.5 4,-1.7 2,-0.2 -2,-0.2 0.894 113.7 46.5 -61.3 -37.2 -1.2 13.0 35.0 58 58 A H H X S+ 0 0 48 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.970 106.4 62.0 -68.2 -45.8 1.7 12.2 32.7 59 59 A G H X S+ 0 0 0 -4,-3.4 4,-2.9 1,-0.2 -2,-0.2 0.874 105.6 45.9 -29.9 -58.5 -0.8 12.2 29.8 60 60 A K H X S+ 0 0 109 -4,-2.0 4,-3.4 2,-0.2 5,-0.2 0.902 109.4 52.1 -67.9 -42.8 -1.7 15.8 30.5 61 61 A K H X S+ 0 0 154 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.940 112.9 45.7 -59.9 -39.5 1.9 17.0 30.8 62 62 A V H X S+ 0 0 28 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.984 115.3 49.0 -66.0 -45.9 2.7 15.4 27.4 63 63 A A H X S+ 0 0 3 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.867 109.0 51.4 -54.0 -49.0 -0.5 16.9 26.0 64 64 A D H X S+ 0 0 76 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.897 107.1 53.0 -61.9 -39.9 0.3 20.4 27.4 65 65 A A H X S+ 0 0 26 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.900 107.9 51.2 -67.2 -35.1 3.8 20.4 25.9 66 66 A L H X S+ 0 0 17 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.933 107.9 53.3 -61.0 -47.6 2.3 19.5 22.3 67 67 A T H X S+ 0 0 57 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.930 109.1 48.5 -52.6 -47.2 -0.1 22.4 22.7 68 68 A N H X S+ 0 0 62 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.942 111.6 49.3 -65.0 -38.3 2.8 24.7 23.4 69 69 A A H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.908 110.3 50.6 -64.0 -38.6 4.7 23.4 20.4 70 70 A V H >< S+ 0 0 10 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.950 110.8 49.8 -64.7 -45.7 1.6 23.9 18.2 71 71 A A H 3< S+ 0 0 64 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.770 119.4 37.6 -62.8 -24.9 1.3 27.5 19.5 72 72 A H T >< S+ 0 0 81 -4,-1.5 3,-1.9 -5,-0.2 -1,-0.3 -0.204 74.5 143.7-115.0 38.9 5.0 28.1 18.7 73 73 A V T < S+ 0 0 15 -3,-1.4 3,-0.4 1,-0.3 -1,-0.1 0.786 73.4 47.6 -60.0 -26.2 5.2 26.1 15.5 74 74 A D T 3 S+ 0 0 125 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.606 120.8 37.5 -88.7 -4.6 7.6 28.6 13.9 75 75 A D S <> S+ 0 0 72 -3,-1.9 4,-1.8 -6,-0.2 3,-0.5 -0.246 71.5 141.1-140.4 52.6 9.9 28.7 16.9 76 76 A M H > + 0 0 11 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.855 63.7 58.9 -70.5 -38.9 10.0 25.1 18.4 77 77 A P H 4 S+ 0 0 76 0, 0.0 -1,-0.2 0, 0.0 7,-0.2 0.872 111.5 46.4 -63.5 -30.1 13.6 24.6 19.5 78 78 A N H >4 S+ 0 0 108 -3,-0.5 3,-1.1 2,-0.2 4,-0.4 0.941 113.3 45.9 -75.8 -47.1 13.2 27.6 21.8 79 79 A A H 3< S+ 0 0 31 -4,-1.8 3,-0.3 1,-0.2 4,-0.2 0.851 121.8 38.3 -67.1 -34.1 9.8 26.6 23.3 80 80 A L T 3X S+ 0 0 6 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.304 84.0 107.7 -99.9 10.1 11.0 23.0 23.9 81 81 A S H <> S+ 0 0 40 -3,-1.1 4,-2.0 1,-0.3 5,-0.2 0.884 80.2 48.0 -56.3 -49.2 14.5 23.8 24.9 82 82 A A H > S+ 0 0 76 -4,-0.4 4,-1.6 -3,-0.3 -1,-0.3 0.888 114.6 48.2 -57.7 -38.6 13.9 23.0 28.6 83 83 A L H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.917 107.2 53.7 -68.9 -44.5 12.3 19.7 27.5 84 84 A S H X S+ 0 0 3 -4,-3.2 4,-2.2 1,-0.2 5,-0.2 0.918 109.4 49.9 -55.5 -42.0 15.1 18.8 25.1 85 85 A D H X S+ 0 0 70 -4,-2.0 4,-2.1 1,-0.2 5,-0.4 0.874 108.3 52.6 -66.3 -38.7 17.6 19.2 28.0 86 86 A L H X>S+ 0 0 78 -4,-1.6 5,-2.2 -5,-0.2 4,-1.1 0.887 112.8 42.8 -70.3 -34.2 15.6 17.0 30.4 87 87 A H H <>S+ 0 0 38 -4,-2.2 5,-3.5 3,-0.2 6,-0.4 0.973 118.2 44.2 -78.3 -38.0 15.3 14.1 28.0 88 88 A A H <5S+ 0 0 5 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.881 126.2 26.5 -66.1 -48.6 18.9 14.2 26.8 89 89 A H H <5S+ 0 0 114 -4,-2.1 -1,-0.2 -5,-0.2 -3,-0.2 0.613 134.6 19.2 -97.4 -18.8 20.8 14.7 30.1 90 90 A K T <5S+ 0 0 138 -4,-1.1 -3,-0.2 -5,-0.4 -4,-0.1 0.747 129.4 27.2-115.9 -70.2 18.4 13.1 32.7 91 91 A L T - 0 0 6 -2,-0.4 3,-1.9 1,-0.2 4,-0.3 -0.334 31.4-123.2 -50.4 135.2 16.5 5.9 23.5 95 95 A P T >> S+ 0 0 46 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.646 104.9 74.9 -58.1 -16.2 15.5 8.0 20.5 96 96 A V H >> S+ 0 0 38 1,-0.2 4,-0.8 2,-0.2 3,-0.7 0.860 84.9 61.3 -66.1 -34.4 13.7 4.9 19.1 97 97 A N H <> S+ 0 0 12 -3,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.677 89.1 71.0 -69.4 -18.7 10.8 5.2 21.5 98 98 A F H <> S+ 0 0 25 -3,-0.8 4,-2.1 -4,-0.3 -1,-0.2 0.926 97.8 50.4 -66.1 -34.4 9.8 8.7 20.2 99 99 A K H X S+ 0 0 7 -4,-2.2 4,-2.2 1,-0.2 3,-0.7 0.962 111.2 50.4 -58.0 -44.4 -6.2 11.0 17.1 110 110 A A H 3< S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.853 107.8 52.5 -58.8 -45.1 -7.7 8.8 14.4 111 111 A A H 3< S+ 0 0 9 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.728 119.0 34.7 -67.5 -31.7 -9.9 7.0 16.9 112 112 A H H << S+ 0 0 59 -4,-1.5 -2,-0.2 -3,-0.7 -1,-0.2 0.606 114.5 53.7 -98.4 -10.9 -11.4 10.3 18.2 113 113 A L X + 0 0 3 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.1 -0.526 54.6 161.3-120.3 66.6 -11.5 12.6 15.0 114 114 A P T 4 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.764 81.4 38.8 -59.8 -25.6 -13.5 10.6 12.4 115 115 A A T 4 S+ 0 0 73 -3,-0.1 -2,-0.1 1,-0.1 3,-0.1 0.859 119.1 40.8 -93.6 -43.8 -14.1 13.8 10.4 116 116 A E T 4 S+ 0 0 52 1,-0.2 2,-2.7 -103,-0.1 5,-0.2 0.786 90.4 88.2 -83.3 -24.5 -10.8 15.8 10.7 117 117 A F < + 0 0 2 -4,-2.3 -1,-0.2 -8,-0.2 141,-0.0 -0.255 59.6 158.3 -75.5 62.2 -8.3 12.8 10.3 118 118 A T > - 0 0 58 -2,-2.7 4,-2.7 1,-0.1 5,-0.3 -0.370 59.4 -99.8 -70.6 167.4 -8.2 13.0 6.4 119 119 A P H > S+ 0 0 24 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.945 125.0 50.2 -52.2 -49.0 -5.2 11.6 4.4 120 120 A A H > S+ 0 0 34 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.901 113.0 44.5 -56.6 -45.2 -3.7 15.1 4.1 121 121 A V H > S+ 0 0 15 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.862 108.9 56.2 -73.5 -37.8 -4.0 15.9 7.9 122 122 A H H X S+ 0 0 2 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.906 109.5 48.3 -52.5 -46.2 -2.6 12.4 8.8 123 123 A A H X S+ 0 0 17 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.896 112.5 47.4 -63.2 -42.4 0.4 13.3 6.7 124 124 A S H X S+ 0 0 2 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.891 111.5 49.7 -68.7 -40.4 0.8 16.7 8.3 125 125 A L H X S+ 0 0 3 -4,-2.9 4,-3.4 2,-0.2 5,-0.2 0.874 109.0 52.4 -66.4 -33.4 0.5 15.4 11.9 126 126 A D H X S+ 0 0 19 -4,-1.8 4,-2.0 -5,-0.2 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-15.6 23.6 147 5 B P H > S+ 0 0 85 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.904 123.9 51.8 -60.0 -43.4 -6.8 -16.8 23.5 148 6 B E H > S+ 0 0 133 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.968 110.9 47.2 -58.6 -47.1 -7.8 -13.1 24.2 149 7 B E H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.902 111.2 49.3 -63.6 -45.9 -5.6 -11.8 21.3 150 8 B K H X S+ 0 0 76 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.937 112.9 48.0 -60.6 -46.0 -6.8 -14.3 18.7 151 9 B S H X S+ 0 0 78 -4,-2.0 4,-2.3 -5,-0.3 5,-0.3 0.887 110.6 50.6 -60.0 -46.6 -10.5 -13.6 19.6 152 10 B A H X S+ 0 0 25 -4,-2.2 4,-1.3 1,-0.2 5,-0.2 0.901 113.6 46.7 -60.3 -40.7 -10.0 -9.8 19.4 153 11 B V H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.949 114.3 44.7 -63.0 -54.0 -8.3 -10.2 16.0 154 12 B T H X S+ 0 0 86 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.919 112.0 50.6 -63.4 -37.9 -10.9 -12.6 14.4 155 13 B A H < S+ 0 0 66 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.896 113.0 44.9 -72.0 -36.9 -14.1 -10.8 15.6 156 14 B L H >X S+ 0 0 12 -4,-1.3 3,-2.2 -5,-0.3 4,-0.5 0.960 110.3 53.9 -73.1 -45.9 -13.0 -7.3 14.4 157 15 B W H >< S+ 0 0 26 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.778 96.4 68.6 -60.8 -27.0 -11.8 -8.7 11.0 158 16 B G T 3< S+ 0 0 71 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.688 103.5 45.0 -56.0 -31.5 -15.4 -10.3 10.7 159 17 B K T <4 S+ 0 0 118 -3,-2.2 2,-0.4 -4,-0.5 -1,-0.2 0.375 89.7 106.0 -94.6 -6.0 -16.7 -6.6 10.3 160 18 B V << - 0 0 16 -3,-0.9 2,-1.0 -4,-0.5 3,-0.1 -0.613 62.8-144.5 -82.6 129.0 -14.1 -5.3 7.9 161 19 B N > - 0 0 91 -2,-0.4 4,-2.7 1,-0.2 5,-0.4 -0.824 18.5-155.9 -86.4 109.2 -15.0 -4.8 4.2 162 20 B V H > S+ 0 0 32 -2,-1.0 4,-2.2 1,-0.2 5,-0.2 0.805 85.2 51.3 -54.3 -46.7 -11.7 -5.8 2.7 163 21 B D H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 115.1 43.7 -63.7 -44.8 -11.9 -3.9 -0.6 164 22 B E H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.1 5,-0.2 0.912 117.5 42.7 -63.2 -51.6 -12.8 -0.6 1.2 165 23 B V H X S+ 0 0 3 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.952 114.8 52.7 -64.3 -39.7 -10.2 -0.9 4.0 166 24 B G H X S+ 0 0 1 -4,-2.2 4,-2.1 -5,-0.4 5,-0.3 0.930 108.4 49.1 -60.0 -46.8 -7.6 -2.1 1.5 167 25 B G H X S+ 0 0 12 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.895 116.3 42.5 -61.9 -40.2 -8.1 0.9 -0.8 168 26 B E H X S+ 0 0 52 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.922 113.0 50.4 -74.1 -45.5 -7.9 3.4 2.0 169 27 B A H X S+ 0 0 2 -4,-3.1 4,-1.6 -5,-0.2 -2,-0.2 0.916 114.9 43.6 -58.9 -45.0 -4.9 1.8 3.8 170 28 B Y H X S+ 0 0 26 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.840 112.5 53.3 -70.8 -33.8 -2.8 1.6 0.6 171 29 B G H X S+ 0 0 0 -4,-1.3 4,-1.5 -5,-0.3 -2,-0.2 0.910 108.9 48.0 -66.6 -42.5 -3.8 5.1 -0.5 172 30 B R H X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.850 105.1 61.7 -68.8 -28.5 -2.7 6.6 2.8 173 31 B L H X S+ 0 0 6 -4,-1.6 4,-1.8 -5,-0.2 7,-0.3 0.944 107.0 43.8 -55.7 -49.6 0.6 4.7 2.4 174 32 B L H < S+ 0 0 0 -4,-1.6 7,-0.2 1,-0.2 -1,-0.2 0.820 118.4 45.0 -67.4 -31.5 1.4 6.5 -0.8 175 33 B V H < S+ 0 0 19 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.923 117.3 39.2 -78.3 -45.9 0.3 9.9 0.7 176 34 B V H < S+ 0 0 1 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.803 129.9 28.5 -82.1 -31.5 2.0 9.8 4.1 177 35 B Y S >< S- 0 0 26 -4,-1.8 3,-2.4 -5,-0.4 -1,-0.3 -0.655 74.2-179.3-125.3 76.2 5.3 8.1 3.0 178 36 B P G > + 0 0 31 0, 0.0 3,-1.5 0, 0.0 4,-0.1 0.610 69.9 74.8 -58.2 -14.0 5.5 9.3 -0.6 179 37 B W G > S+ 0 0 23 1,-0.3 3,-1.6 2,-0.2 204,-0.1 0.770 81.8 70.5 -77.1 -12.1 8.8 7.5 -1.3 180 38 B T G X S+ 0 0 2 -3,-2.4 3,-1.3 -7,-0.3 -1,-0.3 0.677 79.0 79.9 -70.6 -14.6 6.8 4.2 -1.4 181 39 B Q G X + 0 0 37 -3,-1.5 3,-1.7 1,-0.3 -1,-0.3 0.659 67.0 89.3 -67.3 -8.1 5.5 5.7 -4.7 182 40 B R G < S+ 0 0 64 -3,-1.6 3,-0.3 1,-0.3 -1,-0.3 0.637 85.3 50.3 -64.1 -21.9 8.8 4.5 -6.3 183 41 B F G < S+ 0 0 56 -3,-1.3 -1,-0.3 1,-0.2 3,-0.2 0.431 107.9 55.8 -84.3 -14.4 7.2 1.0 -7.2 184 42 B F X + 0 0 21 -3,-1.7 3,-2.6 -4,-0.2 4,-0.3 0.064 53.5 129.9-118.8 32.1 4.1 2.5 -8.8 185 43 B E G > S+ 0 0 135 -3,-0.3 3,-0.7 1,-0.3 -1,-0.1 0.738 77.3 59.9 -54.0 -29.2 5.2 4.8 -11.6 186 44 B S G 3 S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.434 83.4 81.0 -79.9 -0.1 2.7 3.0 -13.9 187 45 B F G < S- 0 0 31 -3,-2.6 2,-0.4 1,-0.3 14,-0.3 0.609 89.2-142.0 -84.8 -9.4 -0.3 3.9 -11.7 188 46 B G < + 0 0 58 -3,-0.7 2,-0.6 -4,-0.3 -1,-0.3 -0.759 63.4 34.0 93.7-135.9 -0.6 7.4 -13.2 189 47 B D + 0 0 104 -2,-0.4 10,-0.1 1,-0.1 -4,-0.0 -0.550 54.1 142.4 -75.0 111.0 -1.5 10.5 -11.2 190 48 B L + 0 0 17 -2,-0.6 -1,-0.1 -5,-0.0 6,-0.1 0.084 34.9 110.9-129.3 17.4 -0.2 10.4 -7.7 191 49 B S S S+ 0 0 92 4,-0.0 -2,-0.0 5,-0.0 3,-0.0 0.766 78.6 27.7 -63.6 -42.7 0.8 14.2 -7.2 192 50 B T S > S- 0 0 67 1,-0.1 4,-2.3 -3,-0.0 3,-0.2 -0.916 86.3-107.8-120.1 164.8 -1.8 15.4 -4.6 193 51 B P H > S+ 0 0 50 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.880 118.4 53.7 -57.1 -45.6 -3.7 13.4 -1.9 194 52 B D H > S+ 0 0 138 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.932 107.6 49.2 -58.6 -46.3 -7.0 13.6 -3.8 195 53 B A H 4 S+ 0 0 19 -3,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.901 114.2 47.3 -61.7 -41.6 -5.4 12.1 -7.0 196 54 B V H >< S+ 0 0 2 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.967 111.0 50.8 -63.7 -51.4 -3.9 9.3 -4.9 197 55 B M H 3< S+ 0 0 41 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.746 116.8 37.6 -64.7 -25.2 -7.1 8.5 -3.0 198 56 B G T 3< S+ 0 0 46 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.349 83.2 123.4-108.9 13.3 -9.4 8.2 -6.0 199 57 B N <> - 0 0 16 -3,-1.3 4,-2.1 -4,-0.5 3,-0.2 -0.508 53.8-150.0 -72.3 126.1 -6.8 6.5 -8.3 200 58 B P H > S+ 0 0 97 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.865 95.3 53.4 -69.1 -35.1 -8.5 3.2 -9.4 201 59 B K H > S+ 0 0 114 -14,-0.3 4,-2.0 2,-0.2 5,-0.1 0.799 108.0 52.9 -69.0 -30.8 -5.2 1.3 -9.8 202 60 B V H > S+ 0 0 1 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.919 110.6 46.3 -68.1 -44.5 -4.4 2.3 -6.2 203 61 B K H X S+ 0 0 101 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.903 111.0 52.4 -63.8 -38.7 -7.7 0.9 -5.0 204 62 B A H X S+ 0 0 39 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.931 109.8 48.8 -66.8 -39.7 -7.2 -2.3 -7.0 205 63 B Q H X S+ 0 0 45 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.874 109.8 50.9 -65.6 -44.1 -3.7 -3.0 -5.5 206 64 B G H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.921 109.5 52.6 -58.4 -43.9 -5.0 -2.4 -2.0 207 65 B K H X S+ 0 0 84 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.972 110.3 47.0 -49.5 -58.2 -7.7 -4.9 -2.8 208 66 B K H X S+ 0 0 151 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.911 115.6 44.4 -52.6 -47.9 -5.2 -7.5 -3.9 209 67 B V H X S+ 0 0 42 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.944 112.2 47.1 -69.7 -50.7 -2.9 -7.1 -1.0 210 68 B L H X S+ 0 0 5 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.811 108.0 59.7 -62.7 -29.1 -5.4 -7.0 1.9 211 69 B G H X S+ 0 0 23 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.925 108.3 42.6 -63.3 -44.7 -7.1 -10.0 0.4 212 70 B A H X S+ 0 0 30 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.887 113.2 54.3 -69.2 -34.2 -3.9 -12.0 0.7 213 71 B F H X S+ 0 0 19 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.928 106.7 51.6 -58.9 -49.8 -3.4 -10.5 4.1 214 72 B S H >X S+ 0 0 32 -4,-2.9 3,-0.7 1,-0.2 4,-0.6 0.922 104.8 55.3 -57.5 -42.1 -6.9 -11.7 5.1 215 73 B D H >X S+ 0 0 109 -4,-2.1 3,-1.5 1,-0.2 4,-0.6 0.931 103.2 57.2 -62.2 -35.1 -6.2 -15.3 3.9 216 74 B G H >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.3 -1,-0.2 0.825 92.1 68.9 -62.8 -30.7 -3.1 -15.4 6.3 217 75 B L H X< S+ 0 0 20 -4,-1.1 3,-0.5 -3,-0.7 -1,-0.3 0.789 96.8 54.2 -59.6 -27.3 -5.4 -14.6 9.2 218 76 B A H << S+ 0 0 79 -3,-1.5 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56.4 -73.8 -32.9 36.9 2.6 1.0 314 25 C G H X S+ 0 0 7 -4,-2.0 4,-1.7 -3,-0.4 -2,-0.2 0.897 109.2 46.6 -59.9 -45.1 33.6 3.7 -0.5 315 26 C A H X S+ 0 0 16 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.873 112.4 49.8 -64.8 -37.9 33.5 0.5 -2.6 316 27 C E H X S+ 0 0 38 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.895 106.9 54.5 -68.6 -39.8 34.4 -1.7 0.3 317 28 C A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.911 109.1 49.3 -57.3 -42.3 31.7 -0.1 2.5 318 29 C L H X S+ 0 0 6 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.942 109.4 49.7 -62.6 -48.5 29.1 -1.0 -0.2 319 30 C E H X S+ 0 0 43 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.845 110.1 52.4 -60.8 -34.6 30.2 -4.6 -0.5 320 31 C R H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.887 110.2 48.5 -65.8 -39.9 30.0 -4.9 3.3 321 32 C M H X S+ 0 0 7 -4,-1.9 4,-2.5 1,-0.2 7,-0.3 0.941 110.0 50.2 -64.2 -49.4 26.5 -3.6 3.2 322 33 C F H < S+ 0 0 17 -4,-2.8 7,-0.2 1,-0.2 -1,-0.2 0.864 117.2 41.3 -56.7 -43.5 25.3 -5.9 0.4 323 34 C L H < S+ 0 0 75 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.912 121.5 38.2 -74.1 -42.3 26.7 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0.873 108.6 49.7 -65.8 -37.4 30.1 13.6 -1.9 355 66 C L H X S+ 0 0 14 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.952 109.4 51.5 -66.2 -45.1 31.4 12.9 1.6 356 67 C T H X S+ 0 0 59 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.937 109.2 50.9 -54.1 -47.0 34.6 14.8 0.9 357 68 C N H X S+ 0 0 61 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.924 110.6 50.5 -56.4 -43.9 32.4 17.8 -0.4 358 69 C A H < S+ 0 0 0 -4,-1.9 3,-0.4 2,-0.2 -2,-0.2 0.930 109.9 47.9 -65.8 -44.0 30.4 17.5 2.9 359 70 C V H >< S+ 0 0 10 -4,-2.9 3,-1.5 1,-0.2 4,-0.2 0.941 110.8 53.2 -61.1 -40.0 33.6 17.6 5.1 360 71 C A H 3< S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.828 120.6 32.1 -59.6 -34.7 34.9 20.6 3.1 361 72 C H T >< S+ 0 0 92 -4,-1.4 3,-2.7 -3,-0.4 -1,-0.3 -0.169 73.5 141.4-118.4 33.1 31.6 22.5 3.7 362 73 C V G X S+ 0 0 10 -3,-1.5 3,-0.8 1,-0.3 -1,-0.1 0.842 73.5 56.2 -45.2 -37.5 30.7 21.1 7.2 363 74 C D G 3 S+ 0 0 119 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.701 120.3 29.1 -70.4 -18.1 29.5 24.6 8.2 364 75 C D G X> S+ 0 0 74 -3,-2.7 4,-2.6 -6,-0.2 3,-0.6 -0.082 71.2 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S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.2 3,-0.6 0.875 110.3 54.6 -62.0 -41.1 37.2 3.3 8.6 399 110 C A H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.907 109.7 46.5 -58.7 -50.1 37.8 1.2 11.8 400 111 C A H 3< S+ 0 0 11 -4,-1.9 -1,-0.2 1,-0.2 151,-0.2 0.643 119.8 38.7 -62.6 -27.9 39.6 -1.6 9.8 401 112 C H H << S+ 0 0 61 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.610 115.1 47.9-104.6 -11.8 41.8 0.8 7.8 402 113 C L X + 0 0 2 -4,-2.0 4,-1.8 1,-0.2 3,-0.5 -0.431 56.2 159.7-131.3 65.2 42.8 3.5 10.3 403 114 C P T 4 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.838 77.7 48.1 -53.9 -38.7 43.9 1.8 13.5 404 115 C A T 4 S+ 0 0 80 1,-0.2 3,-0.1 -3,-0.2 -2,-0.1 0.866 116.3 38.8 -72.0 -43.5 45.8 4.9 14.7 405 116 C E T 4 S+ 0 0 48 -3,-0.5 2,-1.8 1,-0.2 -1,-0.2 0.662 89.8 89.9 -83.5 -20.7 43.0 7.5 14.2 406 117 C F < + 0 0 1 -4,-1.8 -1,-0.2 -7,-0.2 141,-0.0 -0.420 55.4 151.8 -85.2 64.8 39.9 5.6 15.3 407 118 C T > - 0 0 60 -2,-1.8 4,-2.8 -3,-0.1 3,-0.2 -0.394 63.0 -93.0 -83.1 174.0 39.9 6.5 18.9 408 119 C P H > S+ 0 0 24 0, 0.0 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-2,-0.2 0.841 110.6 54.1 -67.9 -32.9 27.3 10.5 9.2 419 130 C A H X S+ 0 0 38 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.889 108.7 49.9 -62.4 -40.0 24.0 10.8 11.0 420 131 C S H X S+ 0 0 35 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.903 109.6 49.3 -66.8 -43.3 23.9 14.5 10.0 421 132 C V H X S+ 0 0 9 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.975 110.8 50.1 -61.4 -46.8 24.7 13.7 6.3 422 133 C S H X S+ 0 0 19 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.920 110.3 52.7 -52.1 -40.7 21.8 11.1 6.3 423 134 C T H < S+ 0 0 90 -4,-2.0 3,-0.5 2,-0.2 4,-0.3 0.934 110.6 45.1 -67.3 -44.3 19.5 13.8 7.9 424 135 C V H >< S+ 0 0 21 -4,-2.4 3,-1.1 1,-0.2 4,-0.4 0.910 112.0 53.1 -67.2 -39.8 20.4 16.3 5.1 425 136 C L H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.724 116.5 37.8 -67.0 -22.6 20.0 13.7 2.3 426 137 C T T >< S+ 0 0 31 -4,-1.2 3,-1.2 -3,-0.5 -1,-0.2 0.319 87.8 97.6-110.0 11.1 16.5 12.7 3.5 427 138 C S T < S+ 0 0 63 -3,-1.1 3,-0.4 -4,-0.3 -2,-0.1 0.767 82.9 49.2 -75.4 -25.0 15.1 16.1 4.5 428 139 C K T 3 S+ 0 0 65 -4,-0.4 -1,-0.3 -55,-0.2 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8 D K H X S+ 0 0 64 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.957 111.5 49.6 -59.8 -49.0 30.2 -21.0 12.3 440 9 D S H X S+ 0 0 79 -4,-2.0 4,-2.6 -5,-0.3 5,-0.3 0.894 110.7 50.9 -59.9 -37.7 33.9 -21.9 11.7 441 10 D A H X S+ 0 0 33 -4,-2.1 4,-2.0 2,-0.2 5,-0.3 0.973 111.3 47.0 -64.3 -48.2 34.7 -18.2 10.7 442 11 D V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.943 115.8 46.3 -57.7 -48.8 33.0 -16.9 13.9 443 12 D T H X S+ 0 0 85 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.922 109.8 51.2 -63.9 -43.8 34.9 -19.5 16.1 444 13 D A H < S+ 0 0 64 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.918 113.9 44.3 -63.2 -44.0 38.4 -19.1 14.6 445 14 D L H >< S+ 0 0 15 -4,-2.0 3,-1.6 -5,-0.3 -1,-0.2 0.915 110.5 54.7 -62.8 -44.8 38.3 -15.3 15.0 446 15 D W H >< S+ 0 0 24 -4,-1.9 3,-1.7 -5,-0.3 -2,-0.2 0.850 97.1 66.5 -62.6 -26.1 36.9 -15.5 18.5 447 16 D G T 3< S+ 0 0 70 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.662 100.4 50.3 -67.8 -21.7 39.9 -17.8 19.4 448 17 D K T < S+ 0 0 129 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.3 0.295 90.9 108.6 -96.2 0.9 42.3 -14.9 19.0 449 18 D V < - 0 0 20 -3,-1.7 2,-1.0 -4,-0.2 3,-0.1 -0.602 63.8-141.5 -91.5 139.0 40.3 -12.4 21.2 450 19 D N > - 0 0 80 -2,-0.3 4,-2.6 1,-0.2 5,-0.4 -0.845 19.7-162.0 -89.5 99.7 41.2 -11.1 24.6 451 20 D V H > S+ 0 0 38 -2,-1.0 4,-1.7 1,-0.2 5,-0.2 0.914 85.1 47.6 -57.8 -34.5 37.7 -11.2 26.2 452 21 D D H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.959 115.3 44.3 -75.4 -42.0 38.6 -8.8 29.1 453 22 D E H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.929 117.5 42.9 -68.6 -48.1 40.4 -6.2 26.9 454 23 D V H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.800 111.9 55.4 -63.3 -35.2 37.7 -6.2 24.1 455 24 D G H X S+ 0 0 2 -4,-1.7 4,-2.2 -5,-0.4 5,-0.3 0.954 109.9 46.8 -65.3 -42.2 34.9 -6.2 26.7 456 25 D G H X S+ 0 0 15 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.873 115.8 45.4 -59.6 -45.5 36.4 -3.0 28.3 457 26 D E H X S+ 0 0 43 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.907 113.8 47.6 -70.9 -42.5 36.9 -1.3 24.9 458 27 D A H X S+ 0 0 3 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.932 114.5 44.3 -65.3 -46.4 33.4 -2.2 23.6 459 28 D Y H X S+ 0 0 26 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.847 113.4 51.4 -70.8 -33.8 31.4 -1.1 26.7 460 29 D G H X S+ 0 0 0 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.917 110.6 47.0 -65.6 -45.7 33.4 2.1 27.1 461 30 D R H X S+ 0 0 4 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.812 107.2 59.1 -67.3 -31.1 32.9 3.1 23.4 462 31 D L H X S+ 0 0 6 -4,-1.7 4,-2.1 1,-0.2 7,-0.3 0.966 109.9 44.3 -56.7 -49.3 29.1 2.2 23.9 463 32 D L H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 7,-0.2 0.824 118.5 41.7 -68.3 -31.8 29.1 4.8 26.7 464 33 D V H < S+ 0 0 20 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.920 119.1 41.7 -77.6 -52.3 31.1 7.5 24.8 465 34 D V H < S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.837 128.2 27.8 -69.4 -37.1 29.4 7.1 21.4 466 35 D Y S >< S- 0 0 26 -4,-2.1 3,-2.0 -5,-0.3 -1,-0.3 -0.735 75.0-177.4-120.2 75.2 25.7 6.8 22.6 467 36 D P G > + 0 0 31 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.755 70.0 74.5 -58.4 -18.2 25.8 8.7 25.9 468 37 D W G > S+ 0 0 20 1,-0.3 3,-1.8 2,-0.2 4,-0.1 0.827 82.6 71.2 -66.9 -20.9 22.2 8.0 26.9 469 38 D T G X S+ 0 0 3 -3,-2.0 3,-0.8 1,-0.3 -1,-0.3 0.609 79.8 77.3 -69.4 -10.3 23.3 4.4 27.8 470 39 D Q G X + 0 0 32 -3,-2.4 3,-2.6 1,-0.2 -1,-0.3 0.591 66.5 94.7 -71.0 -11.9 25.1 5.9 30.8 471 40 D R G < S+ 0 0 60 -3,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.692 82.8 49.7 -57.3 -23.4 21.7 6.3 32.5 472 41 D F G < S+ 0 0 57 -3,-0.8 -1,-0.3 1,-0.2 3,-0.2 0.508 106.8 58.5 -88.5 -4.1 22.2 2.9 34.3 473 42 D F X + 0 0 18 -3,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.065 51.6 121.6-126.0 25.9 25.6 3.8 35.5 474 43 D E G > S+ 0 0 151 -3,-0.3 3,-0.9 1,-0.3 -1,-0.2 0.789 79.4 60.6 -61.5 -24.1 25.6 6.9 37.7 475 44 D S G 3 S+ 0 0 101 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.530 84.9 80.7 -78.7 -4.8 27.1 4.9 40.6 476 45 D F G < S- 0 0 37 -3,-2.0 14,-0.4 1,-0.2 2,-0.4 0.500 95.2-129.9 -80.2 -7.0 30.2 4.0 38.4 477 46 D G < + 0 0 55 -3,-0.9 2,-0.4 -4,-0.2 -1,-0.2 -0.728 64.7 20.7 98.9-137.9 31.9 7.4 39.1 478 47 D D + 0 0 91 -2,-0.4 10,-0.1 1,-0.1 3,-0.0 -0.593 49.4 150.3 -80.6 125.7 33.4 9.9 36.6 479 48 D L + 0 0 22 -2,-0.4 -1,-0.1 7,-0.0 6,-0.1 -0.061 33.3 122.8-138.0 23.2 32.2 9.6 33.1 480 49 D S S S+ 0 0 91 4,-0.0 3,-0.1 2,-0.0 -2,-0.0 0.623 75.1 18.5 -71.4 -24.7 32.7 13.3 32.2 481 50 D T S > S- 0 0 70 1,-0.1 4,-2.7 -3,-0.0 5,-0.2 -0.965 85.4-101.2-139.6 166.5 35.0 12.8 29.2 482 51 D P H > S+ 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.912 121.9 50.4 -52.7 -43.5 36.0 10.0 26.8 483 52 D D H > S+ 0 0 135 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.903 109.1 49.2 -69.8 -36.5 39.2 9.4 28.8 484 53 D A H > S+ 0 0 22 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.929 113.7 48.4 -65.3 -42.5 37.5 9.2 32.1 485 54 D V H >< S+ 0 0 2 -4,-2.7 3,-1.0 2,-0.2 -2,-0.2 0.971 114.7 42.4 -58.5 -54.8 35.0 6.7 30.6 486 55 D M H 3< S+ 0 0 40 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.844 118.3 48.3 -64.3 -27.4 37.6 4.5 29.0 487 56 D G H 3< S+ 0 0 46 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.584 82.9 115.2 -87.5 -14.7 39.7 4.7 32.1 488 57 D N S+ 0 0 87 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.776 94.7 54.9 -67.6 -27.9 37.5 0.6 36.4 490 59 D K H > S+ 0 0 123 -14,-0.4 4,-2.1 2,-0.2 5,-0.2 0.919 107.9 49.0 -72.7 -39.3 33.8 0.1 37.0 491 60 D V H >> S+ 0 0 0 -15,-0.2 4,-2.8 2,-0.2 3,-0.6 0.988 110.1 52.1 -59.4 -53.8 33.1 0.4 33.3 492 61 D K H 3X S+ 0 0 117 -4,-2.5 4,-2.5 1,-0.3 -2,-0.2 0.880 110.4 47.5 -52.6 -40.4 35.9 -2.1 32.5 493 62 D A H 3X S+ 0 0 56 -4,-2.0 4,-2.3 2,-0.2 -1,-0.3 0.865 110.3 51.4 -71.6 -30.5 34.5 -4.7 34.9 494 63 D Q H X S+ 0 0 21 -4,-2.2 4,-1.2 1,-0.2 3,-0.9 0.989 110.3 54.7 -54.1 -52.4 28.5 -13.3 25.2 503 72 D S H >< S+ 0 0 25 -4,-3.4 3,-0.8 1,-0.3 4,-0.3 0.904 108.7 45.8 -51.9 -44.7 31.6 -15.5 24.9 504 73 D D H >< S+ 0 0 109 -4,-2.3 3,-1.1 1,-0.2 -1,-0.3 0.797 105.1 61.7 -75.0 -22.1 30.0 -18.5 26.5 505 74 D G H X< S+ 0 0 2 -4,-1.6 3,-1.3 -3,-0.9 -1,-0.2 0.736 89.0 72.2 -69.3 -21.9 26.9 -18.0 24.4 506 75 D L G X< S+ 0 0 16 -4,-1.2 3,-0.6 -3,-0.8 -1,-0.2 0.711 91.9 57.3 -64.6 -20.0 29.1 -18.5 21.3 507 76 D A G < S+ 0 0 81 -3,-1.1 -1,-0.3 -4,-0.3 3,-0.2 0.620 105.0 51.2 -85.1 -14.2 29.3 -22.2 22.3 508 77 D H G X + 0 0 96 -3,-1.3 3,-1.8 -4,-0.3 -1,-0.2 -0.236 62.8 142.1-115.7 43.9 25.5 -22.5 22.1 509 78 D L T < S+ 0 0 11 -3,-0.6 3,-0.4 1,-0.3 -76,-0.3 0.767 71.9 58.5 -55.4 -25.5 24.9 -21.0 18.7 510 79 D D T 3 S+ 0 0 128 1,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.705 118.0 26.7 -78.4 -23.1 22.2 -23.7 18.2 511 80 D N <> + 0 0 93 -3,-1.8 4,-1.5 -6,-0.2 -1,-0.2 -0.491 64.6 147.4-141.7 71.8 20.2 -22.6 21.2 512 81 D L H > S+ 0 0 3 -3,-0.4 4,-2.6 2,-0.2 -1,-0.1 0.817 75.4 57.3 -70.3 -37.5 20.7 -18.9 22.1 513 82 D K H 4 S+ 0 0 96 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.895 111.5 40.7 -64.4 -39.9 17.1 -18.5 23.3 514 83 D G H >4 S+ 0 0 42 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.885 115.0 52.6 -74.3 -39.8 17.4 -21.3 25.9 515 84 D T H 3< S+ 0 0 58 -4,-1.5 4,-0.2 1,-0.2 -2,-0.2 0.898 119.1 33.4 -62.6 -44.8 20.9 -20.2 26.9 516 85 D F T 3X S+ 0 0 7 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.186 86.4 105.9-101.2 12.3 19.9 -16.5 27.5 517 86 D A H <> S+ 0 0 23 -3,-0.6 4,-2.5 -4,-0.3 5,-0.2 0.954 83.0 43.4 -54.1 -53.3 16.4 -17.0 28.9 518 87 D T H > S+ 0 0 112 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.934 115.5 49.1 -65.8 -37.4 17.1 -16.3 32.6 519 88 D L H > S+ 0 0 65 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.860 109.2 53.9 -68.4 -38.1 19.3 -13.3 31.7 520 89 D S H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 5,-0.2 0.978 108.8 47.8 -56.1 -54.6 16.6 -12.0 29.4 521 90 D E H X S+ 0 0 87 -4,-2.5 4,-2.2 1,-0.2 5,-0.4 0.870 111.3 52.8 -53.2 -36.4 14.1 -12.2 32.3 522 91 D L H X>S+ 0 0 77 -4,-1.9 5,-2.2 1,-0.2 4,-1.6 0.901 105.4 51.1 -71.1 -41.1 16.5 -10.4 34.6 523 92 D H H <5S+ 0 0 37 -4,-2.2 6,-2.7 3,-0.2 5,-0.5 0.782 117.6 40.3 -64.9 -33.3 17.2 -7.4 32.3 524 93 D C H <5S+ 0 0 11 -4,-1.4 4,-0.3 4,-0.2 -2,-0.2 0.948 122.7 34.1 -81.4 -56.2 13.4 -6.7 31.9 525 94 D D H <5S+ 0 0 75 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.818 135.6 15.3 -75.4 -34.1 12.0 -7.4 35.4 526 95 D K T <5S+ 0 0 151 -4,-1.6 -3,-0.2 -5,-0.4 -1,-0.1 0.802 129.6 37.1-106.9 -49.2 14.9 -6.1 37.5 527 96 D L S - 0 0 4 -2,-0.7 3,-2.0 1,-0.2 4,-0.5 -0.359 17.7-136.4 -50.1 127.9 15.6 -1.1 27.0 531 100 D P T >> S+ 0 0 8 0, 0.0 4,-0.9 0, 0.0 3,-0.9 0.741 98.3 78.1 -67.3 -14.6 16.5 -4.0 24.5 532 101 D E H >> S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.848 84.8 63.2 -61.3 -27.8 17.5 -1.3 22.0 533 102 D N H <> S+ 0 0 11 -3,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.793 94.5 59.3 -66.6 -30.3 20.7 -0.9 24.0 534 103 D F H <> S+ 0 0 27 -3,-0.9 4,-2.2 -4,-0.5 -1,-0.2 0.853 105.0 50.1 -64.7 -33.5 21.7 -4.6 23.1 535 104 D R H < S- 0 0 18 -4,-2.8 3,-1.8 -5,-0.2 -2,-0.2 0.549 81.9-174.4 -97.8 -4.8 41.7 -7.2 13.5 550 119 D G G >< S+ 0 0 16 -4,-2.3 3,-2.2 1,-0.3 -1,-0.2 -0.149 72.4 8.7 51.3-134.0 42.0 -4.8 10.5 551 120 D K G 3 S+ 0 0 194 1,-0.3 -1,-0.3 -151,-0.2 -2,-0.1 0.736 120.5 67.2 -56.1 -23.6 42.1 -6.8 7.1 552 121 D E G < S+ 0 0 91 -3,-1.8 2,-1.4 1,-0.2 -1,-0.3 0.613 84.1 79.4 -73.0 -4.4 41.3 -10.3 8.6 553 122 D F S < S+ 0 0 0 -3,-2.2 -1,-0.2 -7,-0.2 -153,-0.1 -0.633 76.0 175.9 -96.7 62.7 37.8 -8.8 9.4 554 123 D T > - 0 0 52 -2,-1.4 4,-2.6 1,-0.1 3,-0.4 -0.413 46.5 -95.5 -67.8 168.5 36.7 -9.3 5.8 555 124 D P H > S+ 0 0 21 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.813 124.3 47.5 -50.1 -50.6 33.2 -8.6 4.5 556 125 D P H > S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.848 111.6 49.9 -65.5 -31.3 32.0 -12.3 4.9 557 126 D V H > S+ 0 0 24 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.948 111.7 49.4 -70.7 -45.9 33.4 -12.5 8.4 558 127 D Q H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.939 108.8 53.9 -51.4 -49.3 31.6 -9.3 9.3 559 128 D A H X S+ 0 0 7 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.924 109.2 46.8 -56.3 -47.0 28.4 -10.8 7.7 560 129 D A H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.936 114.0 48.2 -62.3 -45.9 28.6 -13.9 9.9 561 130 D Y H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.872 106.3 57.8 -63.5 -33.8 29.3 -11.7 13.1 562 131 D Q H X S+ 0 0 13 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.929 107.2 48.0 -61.2 -44.3 26.3 -9.3 12.1 563 132 D K H X S+ 0 0 114 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.886 112.2 49.2 -60.6 -43.3 23.9 -12.4 12.2 564 133 D V H X S+ 0 0 5 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.918 109.9 49.3 -66.5 -42.7 25.3 -13.6 15.6 565 134 D V H X S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.886 114.4 46.2 -68.0 -30.8 25.0 -10.1 17.3 566 135 D A H X S+ 0 0 48 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.866 110.8 53.7 -73.0 -33.0 21.4 -9.8 16.1 567 136 D G H X S+ 0 0 11 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.901 111.8 43.7 -67.0 -41.4 20.7 -13.3 17.2 568 137 D V H X S+ 0 0 14 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.932 112.2 52.4 -69.5 -41.5 22.0 -12.6 20.7 569 138 D A H X S+ 0 0 5 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.933 113.3 46.1 -58.3 -43.2 20.1 -9.2 20.9 570 139 D N H X S+ 0 0 90 -4,-2.4 4,-0.9 1,-0.2 3,-0.4 0.899 111.4 50.9 -66.3 -37.8 16.9 -11.1 19.9 571 140 D A H < S+ 0 0 2 -4,-2.2 3,-0.4 1,-0.3 4,-0.3 0.893 111.3 48.1 -68.8 -40.3 17.5 -13.9 22.4 572 141 D L H < S+ 0 0 22 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.584 112.3 47.8 -71.1 -29.6 18.0 -11.4 25.2 573 142 D A H >< S+ 0 0 25 -4,-0.9 3,-2.0 -3,-0.4 -1,-0.2 0.556 88.9 94.7 -83.1 -7.9 14.9 -9.4 24.4 574 143 D H T 3< S+ 0 0 97 -4,-0.9 -2,-0.1 -3,-0.4 -1,-0.1 0.752 83.1 43.8 -59.5 -34.9 12.8 -12.7 24.1 575 144 D K T 3 S+ 0 0 79 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.251 82.3 127.5 -94.2 8.4 11.3 -12.8 27.6 576 145 D Y < 0 0 29 -3,-2.0 -538,-0.1 -52,-0.1 -55,-0.1 -0.367 360.0 360.0 -66.1 149.2 10.4 -9.1 27.7 577 146 D H 0 0 126 -540,-0.2 -2,-0.0 -56,-0.1 -541,-0.0 -0.935 360.0 360.0-160.3 360.0 6.8 -8.5 28.7