==== 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 IRON STORAGE 28-MAY-96 1IES . COMPND 2 MOLECULE: FERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR T.GRANIER,B.GALLOIS,A.DAUTANT,B.LANGLOIS D'ESTAINTOT,G.PRECI . 1044 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 809 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 21 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 704 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 3.6 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 0 0 0 0 0 0 6 4 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 6 12 0 2 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 . 1 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 S 0 0 157 0, 0.0 2,-0.4 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0-150.3 57.2 70.6 63.9 2 2 A S > - 0 0 26 71,-0.2 3,-2.9 1,-0.1 318,-0.0 -0.985 360.0-114.7-131.4 145.7 55.0 70.9 60.7 3 3 A Q T 3 S+ 0 0 79 -2,-0.4 -1,-0.1 1,-0.3 70,-0.0 0.513 111.4 50.5 -38.2 -26.7 55.2 73.0 57.6 4 4 A I T 3 S+ 0 0 17 313,-0.0 -1,-0.3 69,-0.0 2,-0.2 0.635 79.2 114.6 -95.8 -15.0 52.0 75.0 58.3 5 5 A R < + 0 0 53 -3,-2.9 2,-0.3 68,-0.2 68,-0.1 -0.361 34.9 161.5 -68.2 130.8 52.7 76.0 61.9 6 6 A Q - 0 0 27 66,-0.5 3,-0.1 -2,-0.2 -2,-0.0 -0.927 65.1 -11.1-159.6 119.6 53.0 79.7 62.4 7 7 A N S S+ 0 0 63 -2,-0.3 2,-0.5 1,-0.2 -2,-0.0 0.807 92.2 130.5 56.8 40.4 52.7 81.7 65.6 8 8 A Y - 0 0 11 64,-0.1 -1,-0.2 65,-0.0 2,-0.2 -0.977 45.7-150.8-121.2 114.6 51.3 78.7 67.5 9 9 A S > - 0 0 19 -2,-0.5 4,-2.9 1,-0.1 3,-0.2 -0.529 22.7-126.6 -92.1 155.7 53.1 78.2 70.7 10 10 A T H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.851 112.2 60.8 -63.9 -30.2 53.6 75.0 72.6 11 11 A E H > S+ 0 0 98 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.924 111.3 37.9 -64.1 -43.1 52.1 76.7 75.6 12 12 A V H > S+ 0 0 0 -3,-0.2 4,-3.0 2,-0.2 5,-0.3 0.909 113.4 56.5 -72.6 -43.6 48.8 77.2 73.7 13 13 A E H X S+ 0 0 30 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.937 110.5 45.2 -53.3 -46.5 49.0 73.8 72.0 14 14 A A H X S+ 0 0 58 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.895 112.6 50.5 -66.5 -38.2 49.2 72.1 75.4 15 15 A A H X S+ 0 0 26 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.906 108.3 51.8 -69.3 -38.3 46.4 74.2 76.8 16 16 A V H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.952 109.4 51.4 -61.9 -45.2 44.1 73.4 73.8 17 17 A N H X S+ 0 0 11 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.2 0.805 110.8 47.9 -59.7 -33.5 44.8 69.7 74.4 18 18 A R H X S+ 0 0 141 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.827 109.2 53.2 -74.6 -37.1 43.9 70.1 78.1 19 19 A L H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.876 103.2 57.4 -69.1 -32.7 40.7 72.0 77.2 20 20 A V H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.923 106.9 49.4 -59.4 -42.3 39.7 69.1 74.8 21 21 A N H X S+ 0 0 24 -4,-1.1 4,-3.3 1,-0.2 5,-0.2 0.960 110.0 51.3 -64.1 -45.5 39.9 66.8 77.8 22 22 A L H X S+ 0 0 41 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.908 112.6 45.0 -58.5 -44.8 37.8 69.2 79.9 23 23 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.957 114.1 48.7 -63.6 -46.3 35.1 69.4 77.2 24 24 A L H X S+ 0 0 37 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.929 112.7 48.4 -61.0 -44.6 35.1 65.6 76.7 25 25 A R H X S+ 0 0 63 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.890 110.0 51.9 -65.4 -38.2 34.9 65.0 80.5 26 26 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.930 109.1 52.1 -61.1 -40.3 32.0 67.6 80.8 27 27 A S H X S+ 0 0 20 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.951 108.0 49.1 -57.5 -52.1 30.3 65.6 78.0 28 28 A Y H X S+ 0 0 105 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.919 110.9 52.5 -55.8 -42.9 30.7 62.3 79.9 29 29 A T H X S+ 0 0 9 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.934 109.6 47.0 -60.3 -48.2 29.2 64.1 83.0 30 30 A Y H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.891 108.1 55.9 -65.4 -33.3 26.2 65.3 81.1 31 31 A L H X S+ 0 0 71 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.947 111.4 45.3 -59.4 -46.2 25.7 61.8 79.6 32 32 A S H X S+ 0 0 35 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.894 114.1 47.7 -61.7 -45.8 25.6 60.5 83.2 33 33 A L H >X S+ 0 0 1 -4,-2.6 4,-1.7 2,-0.2 3,-0.8 0.944 112.9 49.8 -60.9 -46.4 23.2 63.4 84.4 34 34 A G H 3< S+ 0 0 0 -4,-3.1 4,-0.4 1,-0.3 -2,-0.2 0.940 110.8 46.7 -60.7 -48.4 20.9 62.8 81.5 35 35 A F H 3< S+ 0 0 93 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.629 105.1 62.4 -73.6 -9.5 20.6 59.0 81.9 36 36 A Y H X< S+ 0 0 22 -3,-0.8 3,-2.4 -4,-0.7 7,-0.3 0.946 101.0 51.3 -75.8 -46.1 20.0 59.4 85.7 37 37 A F T 3< S+ 0 0 1 -4,-1.7 7,-1.7 1,-0.3 11,-0.3 0.535 103.4 61.8 -67.9 -2.5 16.8 61.4 85.0 38 38 A D T 3 S+ 0 0 98 -4,-0.4 -1,-0.3 5,-0.2 -2,-0.2 0.527 76.6 114.2 -94.7 -9.2 15.7 58.6 82.7 39 39 A R S X> S- 0 0 78 -3,-2.4 4,-3.0 -4,-0.2 3,-2.7 -0.403 79.1-121.0 -63.3 142.4 15.7 56.1 85.6 40 40 A D T 34 S+ 0 0 153 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.716 112.8 54.2 -58.0 -23.5 12.2 54.8 86.3 41 41 A D T 34 S+ 0 0 105 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.275 118.7 31.1 -97.4 10.0 12.6 56.1 89.9 42 42 A V T <4 S+ 0 0 32 -3,-2.7 -2,-0.2 -6,-0.1 -5,-0.1 0.544 80.5 173.0-120.4 -50.6 13.5 59.7 88.9 43 43 A A < + 0 0 62 -4,-3.0 2,-0.7 -7,-0.3 -5,-0.2 0.822 16.1 145.6 41.9 61.5 11.5 59.9 85.6 44 44 A L > - 0 0 16 -7,-1.7 4,-2.5 1,-0.2 5,-0.2 -0.840 23.0-176.2-125.2 93.4 11.9 63.5 84.5 45 45 A E H > S+ 0 0 111 -2,-0.7 4,-3.0 1,-0.2 -1,-0.2 0.913 79.0 51.6 -62.6 -45.8 12.0 63.4 80.7 46 46 A G H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 111.0 48.9 -63.3 -34.7 12.6 67.1 80.1 47 47 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.924 110.6 50.4 -74.4 -41.6 15.5 67.1 82.4 48 48 A C H X S+ 0 0 18 -4,-2.5 4,-2.6 -11,-0.3 -2,-0.2 0.948 112.0 48.9 -56.3 -47.8 17.0 64.0 80.8 49 49 A H H X S+ 0 0 107 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.908 107.7 54.2 -60.9 -43.1 16.6 65.7 77.5 50 50 A F H X S+ 0 0 17 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.966 113.4 41.2 -54.8 -56.2 18.3 68.9 78.7 51 51 A F H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.872 111.3 55.9 -68.3 -33.0 21.4 67.2 79.9 52 52 A R H X S+ 0 0 108 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.948 106.7 50.4 -62.5 -43.4 21.6 64.9 77.0 53 53 A E H X S+ 0 0 103 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.901 109.7 51.1 -60.2 -40.1 21.6 67.8 74.5 54 54 A L H X S+ 0 0 5 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.888 104.1 58.1 -65.6 -35.6 24.4 69.5 76.5 55 55 A A H X S+ 0 0 10 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.968 110.1 44.5 -55.0 -45.1 26.4 66.2 76.4 56 56 A E H X S+ 0 0 103 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.941 110.4 53.9 -68.3 -43.9 26.3 66.5 72.6 57 57 A E H X S+ 0 0 68 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.887 109.9 46.8 -55.5 -42.5 27.1 70.1 72.6 58 58 A K H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.870 108.9 54.3 -71.9 -33.7 30.3 69.6 74.7 59 59 A R H X S+ 0 0 78 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.940 110.1 48.0 -63.4 -41.5 31.4 66.7 72.5 60 60 A E H X S+ 0 0 77 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.913 107.2 55.8 -64.2 -39.2 31.1 69.0 69.6 61 61 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.919 108.0 49.2 -56.3 -44.1 33.0 71.7 71.4 62 62 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.891 110.9 49.5 -63.5 -41.0 35.9 69.2 71.9 63 63 A E H X S+ 0 0 99 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.905 108.0 53.1 -64.7 -40.8 35.8 68.3 68.2 64 64 A R H X S+ 0 0 70 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.928 112.4 45.2 -59.2 -48.8 35.9 72.0 67.1 65 65 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.933 111.6 54.0 -59.0 -44.2 39.0 72.5 69.3 66 66 A L H X S+ 0 0 37 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.912 109.2 47.1 -58.5 -43.9 40.5 69.2 67.9 67 67 A K H X S+ 0 0 124 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.885 111.7 51.0 -64.5 -40.0 40.0 70.5 64.4 68 68 A M H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 6,-0.3 0.918 103.9 57.8 -64.2 -42.0 41.6 73.9 65.3 69 69 A Q H X>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.3 4,-0.6 0.925 110.1 45.6 -50.4 -48.6 44.6 72.1 66.9 70 70 A N H <5S+ 0 0 79 -4,-1.7 3,-0.5 1,-0.2 -1,-0.3 0.831 109.0 54.1 -68.9 -34.6 45.1 70.5 63.5 71 71 A Q H <5S+ 0 0 25 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.852 109.5 48.7 -67.4 -35.6 44.6 73.7 61.5 72 72 A R H <5S- 0 0 11 -4,-2.4 -66,-0.5 -5,-0.1 -1,-0.2 0.594 120.4-107.8 -80.1 -11.3 47.3 75.5 63.5 73 73 A G T <5S+ 0 0 2 -4,-0.6 -3,-0.2 -3,-0.5 -71,-0.2 0.591 73.0 139.2 95.0 13.8 49.7 72.7 63.1 74 74 A G < - 0 0 0 -5,-2.9 2,-0.5 -6,-0.3 -1,-0.3 -0.363 49.9-124.4 -84.6 172.4 49.4 71.4 66.7 75 75 A R - 0 0 128 -2,-0.1 2,-0.2 -3,-0.1 -58,-0.1 -0.961 20.8-129.3-124.8 124.6 49.3 67.8 67.7 76 76 A A - 0 0 34 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.464 20.6-171.1 -76.2 139.2 46.5 66.4 69.7 77 77 A L - 0 0 119 -2,-0.2 2,-0.4 -63,-0.1 -57,-0.1 -0.999 8.0-153.9-136.1 136.1 47.0 64.3 72.9 78 78 A F - 0 0 131 -2,-0.4 2,-0.2 -58,-0.1 3,-0.1 -0.829 9.2-171.0-114.3 134.8 44.4 62.5 74.6 79 79 A Q - 0 0 108 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.668 42.4 -70.3-115.7 173.7 44.5 61.6 78.3 80 80 A D - 0 0 153 -2,-0.2 2,-0.6 1,-0.1 -1,-0.2 -0.238 44.7-127.9 -62.8 153.9 42.2 59.4 80.3 81 81 A L - 0 0 71 -3,-0.1 2,-0.1 -57,-0.1 -1,-0.1 -0.951 21.6-135.4-108.9 115.3 38.7 60.7 80.9 82 82 A Q - 0 0 138 -2,-0.6 3,-0.1 1,-0.1 -54,-0.1 -0.453 26.3-108.8 -69.5 141.1 37.8 60.6 84.6 83 83 A K - 0 0 139 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.290 51.2 -75.3 -60.5 160.0 34.4 59.3 85.3 84 84 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.304 42.0-114.8 -58.6 144.9 31.8 61.8 86.5 85 85 A S S S+ 0 0 90 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.754 94.8 33.8 -50.5 -36.7 32.1 63.0 90.1 86 86 A Q - 0 0 93 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.864 54.0-158.7-125.3 159.5 28.8 61.4 91.1 87 87 A D S S+ 0 0 123 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.581 90.8 36.2-104.5 -21.0 26.7 58.4 90.2 88 88 A E S S- 0 0 114 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.976 70.2-162.0-129.3 138.4 23.3 59.6 91.5 89 89 A W - 0 0 5 -2,-0.4 2,-0.5 1,-0.3 9,-0.2 0.411 22.1-137.3-114.4 2.7 22.6 63.3 91.0 90 90 A G - 0 0 30 4,-0.1 -1,-0.3 5,-0.1 2,-0.2 -0.662 52.9 -19.9 93.8-128.4 19.8 64.2 93.3 91 91 A T S > S- 0 0 53 -2,-0.5 4,-3.1 1,-0.0 5,-0.2 -0.671 74.1 -89.3-114.2 174.3 16.9 66.3 92.2 92 92 A T H > S+ 0 0 0 -2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.900 129.4 51.5 -52.4 -39.3 16.6 68.9 89.4 93 93 A L H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.944 111.0 45.4 -68.4 -44.6 17.9 71.5 91.8 94 94 A D H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 115.2 48.4 -62.5 -44.9 20.9 69.5 92.8 95 95 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.927 112.5 47.9 -61.3 -46.7 21.6 68.6 89.1 96 96 A M H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.892 110.8 50.6 -61.9 -42.5 21.3 72.3 88.0 97 97 A K H X S+ 0 0 91 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.935 112.8 47.7 -59.1 -44.4 23.6 73.5 90.7 98 98 A A H X S+ 0 0 30 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.927 112.0 50.0 -60.3 -45.5 26.1 70.8 89.7 99 99 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.938 108.1 50.6 -62.2 -45.0 25.8 71.8 86.0 100 100 A I H X S+ 0 0 11 -4,-2.7 4,-3.0 1,-0.3 -1,-0.2 0.902 110.3 50.7 -66.3 -32.6 26.3 75.5 86.5 101 101 A V H X S+ 0 0 99 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.3 0.892 111.6 49.4 -63.8 -42.4 29.5 74.8 88.6 102 102 A L H X S+ 0 0 31 -4,-1.9 4,-1.7 2,-0.2 3,-0.3 0.968 113.1 44.9 -62.6 -50.0 30.6 72.6 85.7 103 103 A E H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 3,-0.3 0.915 109.0 57.5 -60.3 -42.1 29.9 75.3 83.1 104 104 A K H X S+ 0 0 53 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.878 108.0 46.6 -56.3 -40.3 31.5 77.9 85.3 105 105 A S H X S+ 0 0 62 -4,-1.8 4,-1.7 -3,-0.3 -1,-0.2 0.782 110.5 51.4 -75.2 -30.8 34.8 75.9 85.4 106 106 A L H X S+ 0 0 2 -4,-1.7 4,-2.1 -3,-0.3 -2,-0.2 0.929 111.3 50.4 -64.8 -44.7 34.8 75.3 81.6 107 107 A N H X S+ 0 0 6 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.931 107.1 51.8 -62.8 -41.6 34.3 79.0 81.3 108 108 A Q H X S+ 0 0 80 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.920 108.9 53.0 -58.8 -38.5 37.2 79.8 83.6 109 109 A A H X S+ 0 0 8 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.895 108.8 47.6 -65.4 -38.4 39.3 77.5 81.4 110 110 A L H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.967 111.9 50.9 -63.9 -48.1 38.4 79.3 78.2 111 111 A L H X S+ 0 0 19 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.852 111.2 48.3 -55.8 -44.0 39.1 82.6 79.9 112 112 A D H X S+ 0 0 88 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.896 112.3 48.3 -64.8 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176.5-112.6 89.2 48.0 84.8 69.1 123 123 A P H > S+ 0 0 12 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.856 79.1 56.5 -63.2 -33.7 45.1 86.8 67.5 124 124 A H H > S+ 0 0 5 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.887 107.6 45.9 -66.3 -41.7 43.6 83.7 65.8 125 125 A L H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.957 112.6 51.0 -66.6 -48.6 43.2 81.7 69.0 126 126 A C H X S+ 0 0 9 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.948 114.6 44.4 -52.2 -48.7 41.7 84.7 70.8 127 127 A D H X S+ 0 0 20 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.920 111.4 52.4 -61.4 -48.7 39.3 85.1 67.8 128 128 A F H X S+ 0 0 15 -4,-3.0 4,-2.2 2,-0.2 5,-0.3 0.908 113.8 44.0 -53.8 -44.4 38.5 81.4 67.6 129 129 A L H X>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 4,-2.2 0.937 115.0 46.9 -67.8 -49.0 37.6 81.4 71.3 130 130 A E H <>S+ 0 0 13 -4,-2.7 5,-0.7 -5,-0.3 -2,-0.2 0.918 115.6 48.3 -59.9 -43.7 35.6 84.6 71.3 131 131 A S H <5S+ 0 0 64 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.906 127.4 15.8 -67.7 -42.9 33.7 83.4 68.1 132 132 A H H <5S+ 0 0 81 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.668 132.3 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110.7 53.4 -64.1 -43.3 40.9 86.4 42.5 232 57 B E H X S+ 0 0 71 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.915 109.6 48.0 -56.7 -44.2 40.8 85.9 46.2 233 58 B K H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.897 108.7 52.5 -68.3 -39.4 43.8 88.0 46.8 234 59 B R H X S+ 0 0 31 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.934 111.0 49.0 -60.5 -42.2 42.6 90.8 44.6 235 60 B E H X S+ 0 0 89 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 107.3 54.1 -64.3 -40.2 39.4 90.8 46.6 236 61 B G H X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.934 108.7 50.4 -55.2 -43.5 41.3 90.9 49.9 237 62 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.901 109.7 49.4 -62.0 -44.9 43.1 94.0 48.6 238 63 B E H X S+ 0 0 25 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.858 107.8 54.7 -62.3 -35.3 39.8 95.6 47.7 239 64 B R H X S+ 0 0 119 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.960 110.3 46.2 -60.5 -49.4 38.5 94.8 51.1 240 65 B L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.923 111.3 52.1 -60.2 -42.9 41.5 96.6 52.7 241 66 B L H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.942 109.7 48.4 -60.8 -47.4 41.1 99.6 50.3 242 67 B K H X S+ 0 0 87 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.911 112.3 49.9 -59.9 -40.6 37.4 100.0 51.3 243 68 B M H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 6,-0.3 0.917 105.4 56.4 -61.8 -45.1 38.3 99.8 54.9 244 69 B Q H X>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.9 0.941 110.5 45.5 -50.7 -50.0 41.0 102.4 54.5 245 70 B N H <5S+ 0 0 3 -4,-2.1 3,-0.4 1,-0.2 495,-0.4 0.869 109.5 54.0 -64.9 -38.7 38.3 104.7 53.1 246 71 B Q H <5S+ 0 0 20 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.808 109.7 49.0 -64.4 -32.9 35.8 103.9 55.9 247 72 B R H <5S- 0 0 13 -4,-2.0 -66,-0.6 -3,-0.3 -1,-0.2 0.598 120.4-106.9 -81.8 -15.3 38.4 104.8 58.5 248 73 B G T <5S+ 0 0 3 -4,-0.9 -3,-0.2 -3,-0.4 -68,-0.2 0.532 73.9 140.9 98.4 13.5 39.3 108.1 56.9 249 74 B G < - 0 0 0 -5,-2.6 2,-0.5 -6,-0.3 -1,-0.3 -0.243 48.9-125.7 -80.6 169.8 42.6 106.8 55.7 250 75 B R - 0 0 50 -3,-0.1 2,-0.2 489,-0.1 -58,-0.1 -0.984 19.1-129.6-125.6 126.2 44.1 107.6 52.3 251 76 B A - 0 0 24 -2,-0.5 2,-0.4 484,-0.1 -62,-0.1 -0.519 21.7-173.5 -78.7 134.2 45.2 105.0 49.8 252 77 B L - 0 0 88 -2,-0.2 2,-0.4 -63,-0.1 -57,-0.1 -1.000 8.5-154.6-130.8 136.9 48.6 105.0 48.2 253 78 B F - 0 0 9 -2,-0.4 2,-0.2 531,-0.1 530,-0.1 -0.837 8.9-170.7-116.5 137.4 49.6 102.7 45.5 254 79 B Q - 0 0 102 -2,-0.4 527,-0.0 -62,-0.2 -2,-0.0 -0.693 41.5 -67.9-119.2 173.8 53.1 101.7 44.7 255 80 B D - 0 0 71 -2,-0.2 2,-0.6 528,-0.1 527,-0.2 -0.270 45.4-128.6 -64.2 149.2 54.6 99.8 41.8 256 81 B L B -A 781 0A 8 525,-3.3 525,-3.2 -3,-0.1 2,-0.2 -0.934 21.5-137.3-103.4 114.4 53.7 96.1 41.7 257 82 B Q - 0 0 113 -2,-0.6 3,-0.1 523,-0.2 523,-0.1 -0.560 24.3-110.2 -74.4 139.9 56.8 94.0 41.3 258 83 B K - 0 0 88 -2,-0.2 522,-0.1 1,-0.2 -1,-0.1 -0.182 50.1 -75.1 -61.7 158.8 56.5 91.2 38.9 259 84 B P - 0 0 5 0, 0.0 -1,-0.2 0, 0.0 519,-0.1 -0.170 40.2-115.3 -57.9 150.1 56.5 87.6 40.3 260 85 B S S S+ 0 0 91 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.824 95.7 33.7 -55.2 -34.5 59.7 86.1 41.5 261 86 B Q - 0 0 89 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.817 53.3-159.2-126.4 157.8 59.7 83.4 38.8 262 87 B D S S+ 0 0 80 1,-0.3 2,-0.4 -2,-0.3 514,-0.1 0.570 91.1 37.4-105.3 -19.9 58.6 83.1 35.2 263 88 B E - 0 0 110 1,-0.0 -1,-0.3 0, 0.0 -55,-0.1 -0.989 68.6-162.5-129.2 137.4 58.4 79.3 35.1 264 89 B W - 0 0 5 -2,-0.4 2,-0.4 1,-0.3 9,-0.2 0.414 22.1-141.6-112.0 3.4 57.1 77.5 38.2 265 90 B G - 0 0 30 4,-0.1 -1,-0.3 5,-0.1 2,-0.2 -0.618 52.5 -15.3 89.6-129.0 58.2 73.9 37.9 266 91 B T S > S- 0 0 55 -2,-0.4 4,-3.1 1,-0.1 5,-0.2 -0.666 74.1 -91.9-111.8 172.0 56.0 71.1 39.0 267 92 B T H > S+ 0 0 1 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.882 128.5 52.9 -52.7 -34.9 52.9 71.0 41.1 268 93 B L H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.933 110.4 44.3 -68.0 -44.9 55.2 70.4 44.1 269 94 B D H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.964 114.9 49.1 -64.9 -47.0 57.4 73.3 43.4 270 95 B A H X S+ 0 0 1 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.907 112.1 47.7 -62.1 -44.1 54.4 75.6 42.8 271 96 B M H X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.914 111.2 51.8 -60.3 -44.0 52.7 74.4 46.1 272 97 B K H X S+ 0 0 90 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.955 112.7 45.4 -55.3 -48.7 55.9 75.0 48.0 273 98 B A H X S+ 0 0 33 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.884 112.5 51.3 -61.4 -43.8 56.2 78.5 46.6 274 99 B A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.937 107.8 50.2 -62.9 -44.3 52.5 79.2 47.2 275 100 B I H X S+ 0 0 10 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.912 110.7 50.6 -65.2 -35.7 52.6 78.1 50.9 276 101 B V H X S+ 0 0 95 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.907 110.4 51.1 -63.0 -42.8 55.7 80.4 51.5 277 102 B L H X S+ 0 0 33 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.966 112.0 44.9 -60.5 -47.6 53.7 83.2 49.8 278 103 B E H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.935 109.4 57.2 -64.5 -40.7 50.7 82.7 52.1 279 104 B K H X S+ 0 0 54 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.908 108.1 45.9 -54.6 -44.2 53.0 82.4 55.1 280 105 B S H X S+ 0 0 61 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.903 112.7 50.4 -68.0 -39.2 54.5 85.8 54.4 281 106 B L H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.920 111.6 49.9 -59.9 -43.2 51.0 87.3 53.8 282 107 B N H X S+ 0 0 6 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.920 107.8 51.3 -65.5 -43.1 50.0 85.8 57.1 283 108 B Q H X S+ 0 0 75 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.885 108.5 53.6 -58.5 -38.9 52.9 87.2 59.0 284 109 B A H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.889 108.9 48.0 -61.3 -42.2 52.1 90.6 57.6 285 110 B L H X S+ 0 0 0 -4,-1.9 4,-3.3 2,-0.2 -2,-0.2 0.947 112.3 49.8 -63.9 -46.1 48.5 90.3 58.9 286 111 B L H X S+ 0 0 15 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.923 111.2 48.5 -57.6 -47.4 49.8 89.3 62.3 287 112 B D H X S+ 0 0 89 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.830 112.8 48.4 -64.7 -33.4 52.3 92.2 62.3 288 113 B L H X S+ 0 0 3 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.910 110.2 51.7 -71.2 -41.4 49.4 94.6 61.4 289 114 B H H X S+ 0 0 20 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.933 108.6 51.3 -58.0 -45.9 47.2 93.1 64.1 290 115 B A H X S+ 0 0 52 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.916 110.3 48.7 -57.5 -45.5 50.0 93.6 66.6 291 116 B L H X S+ 0 0 42 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.937 108.0 55.8 -56.3 -49.3 50.3 97.3 65.5 292 117 B G H <>S+ 0 0 0 -4,-2.9 5,-3.2 1,-0.2 -2,-0.2 0.872 110.9 43.6 -52.7 -46.3 46.5 97.6 65.8 293 118 B S H ><5S+ 0 0 66 -4,-2.1 3,-1.8 3,-0.2 -1,-0.2 0.931 111.2 53.0 -69.3 -43.4 46.6 96.5 69.4 294 119 B A H 3<5S+ 0 0 83 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.932 115.3 42.7 -55.7 -42.5 49.7 98.6 70.2 295 120 B Q T 3<5S- 0 0 72 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.445 116.3-119.9 -79.5 -1.5 47.8 101.6 68.8 296 121 B A T < 5 + 0 0 62 -3,-1.8 -3,-0.2 -5,-0.2 3,-0.1 0.981 55.9 156.4 53.9 60.3 44.6 100.5 70.6 297 122 B D >< + 0 0 2 -5,-3.2 4,-2.0 1,-0.2 3,-0.2 -0.777 14.9 175.1-112.8 88.9 42.6 100.1 67.4 298 123 B P H > S+ 0 0 12 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.902 78.2 55.1 -64.2 -35.8 39.8 97.6 68.3 299 124 B H H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.864 108.2 47.1 -66.3 -40.0 38.1 98.0 64.9 300 125 B L H > S+ 0 0 0 -3,-0.2 4,-2.9 2,-0.2 5,-0.2 0.938 112.2 50.2 -66.1 -49.6 41.2 97.1 62.9 301 126 B C H X S+ 0 0 9 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.928 114.2 45.5 -54.4 -46.1 41.9 94.1 65.1 302 127 B D H X S+ 0 0 24 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.933 111.6 51.6 -62.3 -51.0 38.3 93.0 64.6 303 128 B F H X S+ 0 0 12 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.899 114.0 44.4 -50.6 -47.0 38.3 93.6 60.8 304 129 B L H X>S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 4,-2.3 0.943 115.1 46.8 -65.6 -49.5 41.5 91.6 60.5 305 130 B E H <>S+ 0 0 13 -4,-2.8 5,-0.9 -5,-0.2 -2,-0.2 0.976 115.9 47.3 -56.3 -51.3 40.3 88.8 62.8 306 131 B S H <5S+ 0 0 61 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.914 127.2 18.2 -59.8 -48.0 36.9 88.7 60.9 307 132 B H H <5S+ 0 0 59 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.682 132.0 19.3-105.9 -16.9 38.1 88.7 57.3 308 133 B F T X5S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.755 105.1 64.1-124.2 -43.8 41.7 87.7 56.9 309 134 B L H > S+ 0 0 73 1,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.908 110.4 50.5 -52.4 -43.4 40.8 82.5 55.9 312 137 B E H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.3 0.837 107.4 50.9 -65.1 -38.3 44.5 82.5 56.0 313 138 B V H X S+ 0 0 10 -4,-1.1 4,-1.4 -5,-0.2 -2,-0.2 0.914 113.5 45.5 -72.1 -38.8 44.7 79.7 58.6 314 139 B K H X S+ 0 0 84 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.917 112.9 50.1 -69.2 -39.8 42.4 77.5 56.6 315 140 B L H X S+ 0 0 8 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.957 109.1 50.2 -66.7 -44.8 44.2 78.1 53.3 316 141 B I H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.853 111.8 50.4 -62.6 -30.3 47.7 77.4 54.7 317 142 B K H X S+ 0 0 46 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.965 109.0 50.3 -70.8 -45.5 46.2 74.1 56.1 318 143 B K H X S+ 0 0 92 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.936 112.7 47.0 -52.8 -47.8 44.7 73.2 52.7 319 144 B M H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.900 109.6 53.8 -63.5 -37.8 48.0 73.8 51.0 320 145 B G H X S+ 0 0 3 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.942 110.5 47.6 -60.4 -44.8 49.8 71.8 53.8 321 146 B D H X S+ 0 0 69 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.906 110.9 50.9 -59.1 -45.7 47.4 68.9 53.0 322 147 B H H X S+ 0 0 7 -4,-2.7 4,-3.0 -5,-0.2 5,-0.3 0.934 107.4 53.6 -60.2 -48.8 48.0 69.3 49.3 323 148 B L H X S+ 0 0 5 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.893 109.5 46.4 -56.1 -40.9 51.9 69.2 49.7 324 149 B T H X S+ 0 0 56 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.912 114.7 48.5 -76.2 -29.5 51.9 66.0 51.7 325 150 B N H X S+ 0 0 55 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.915 113.8 45.1 -68.5 -42.1 49.5 64.4 49.2 326 151 B I H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.4 0.956 111.9 54.5 -64.8 -47.0 51.6 65.5 46.2 327 152 B Q H X S+ 0 0 81 -4,-3.0 4,-1.2 -5,-0.3 -2,-0.2 0.854 107.8 48.0 -59.7 -33.4 54.8 64.4 48.0 328 153 B R H X S+ 0 0 157 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.904 118.5 41.4 -74.4 -31.8 53.4 60.8 48.5 329 154 B L H X S+ 0 0 48 -4,-1.7 4,-1.7 2,-0.2 3,-0.4 0.945 116.5 45.2 -70.5 -50.8 52.3 60.6 44.9 330 155 B V H < S+ 0 0 37 -4,-3.0 4,-0.5 1,-0.3 -1,-0.2 0.791 106.2 61.6 -68.1 -30.6 55.3 62.2 43.3 331 156 B G H < S+ 0 0 66 -4,-1.2 -1,-0.3 -5,-0.4 3,-0.2 0.887 109.9 42.6 -62.7 -39.3 57.6 60.2 45.5 332 157 B S H < S- 0 0 102 -4,-1.0 2,-0.5 -3,-0.4 -2,-0.2 0.976 141.6 -14.1 -71.4 -74.7 56.2 57.0 43.9 333 158 B Q X - 0 0 77 -4,-1.7 4,-3.8 1,-0.2 -1,-0.2 -0.875 66.0-154.6-136.4 100.3 56.0 57.9 40.2 334 159 B A H > S+ 0 0 55 -2,-0.5 4,-2.6 -4,-0.5 -1,-0.2 0.810 90.0 40.6 -40.8 -49.9 56.4 61.6 39.5 335 160 B G H > S+ 0 0 13 2,-0.2 4,-2.1 693,-0.2 -1,-0.2 0.943 121.4 42.7 -70.5 -49.8 54.5 62.0 36.2 336 161 B L H > S+ 0 0 21 692,-0.3 4,-2.8 2,-0.2 5,-0.2 0.905 113.9 54.0 -60.0 -43.3 51.7 59.6 37.2 337 162 B G H X S+ 0 0 2 -4,-3.8 4,-2.5 -8,-0.3 5,-0.2 0.959 109.9 45.6 -58.1 -53.9 51.6 61.3 40.7 338 163 B E H X S+ 0 0 20 -4,-2.6 4,-2.3 -5,-0.2 5,-0.2 0.927 113.9 49.3 -55.9 -48.5 51.2 64.8 39.3 339 164 B Y H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.958 114.0 44.8 -57.9 -51.8 48.5 63.6 36.8 340 165 B L H X>S+ 0 0 32 -4,-2.8 4,-4.0 2,-0.2 5,-0.5 0.862 112.2 52.4 -63.0 -36.2 46.4 61.7 39.5 341 166 B F H X>S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 5,-2.1 0.977 114.4 41.4 -61.0 -52.6 46.7 64.6 42.0 342 167 B E H <>S+ 0 0 1 -4,-2.3 5,-1.9 -5,-0.2 -2,-0.2 0.920 121.5 45.3 -60.4 -43.4 45.4 67.1 39.5 343 168 B R H <5S+ 0 0 9 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.905 125.5 24.5 -67.4 -48.5 42.9 64.5 38.4 344 169 B L H <5S+ 0 0 90 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102.8 72.2 462 112 C D H X S+ 0 0 91 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.944 113.8 49.1 -65.1 -44.4 36.9 103.8 75.9 463 113 C L H X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.3 -2,-0.2 0.915 108.8 53.8 -62.3 -40.5 34.7 100.9 77.1 464 114 C H H X S+ 0 0 18 -4,-3.5 4,-1.9 1,-0.2 -1,-0.3 0.921 107.8 50.1 -56.5 -44.4 36.6 98.5 74.8 465 115 C A H X S+ 0 0 53 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.891 110.7 49.6 -62.0 -39.7 39.8 99.7 76.4 466 116 C L H X S+ 0 0 45 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.943 107.0 55.7 -60.4 -50.5 38.4 99.1 79.9 467 117 C G H <>S+ 0 0 0 -4,-2.8 5,-3.6 1,-0.2 -2,-0.2 0.858 111.8 42.7 -52.9 -43.6 37.3 95.6 78.8 468 118 C S H ><5S+ 0 0 66 -4,-1.9 3,-0.8 3,-0.2 -1,-0.2 0.868 112.1 51.8 -75.3 -36.1 40.9 94.8 77.8 469 119 C A H 3<5S+ 0 0 82 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.922 115.4 44.3 -60.6 -43.9 42.5 96.4 80.9 470 120 C Q T 3<5S- 0 0 57 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.485 116.3-120.4 -72.9 -6.1 40.1 94.3 83.0 471 121 C A T < 5 + 0 0 59 -3,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.951 57.5 153.1 58.1 52.9 40.8 91.3 80.8 472 122 C D >< + 0 0 2 -5,-3.6 4,-2.0 1,-0.2 5,-0.2 -0.777 16.3 174.9-108.8 89.5 37.2 90.8 79.7 473 123 C P H > S+ 0 0 13 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.889 78.3 56.4 -62.4 -33.9 37.3 89.0 76.3 474 124 C H H > S+ 0 0 6 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.910 107.8 47.0 -67.2 -40.5 33.6 88.6 76.0 475 125 C L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.959 112.5 49.3 -65.6 -49.2 32.9 92.3 76.4 476 126 C C H X S+ 0 0 11 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.927 114.1 46.9 -55.7 -44.9 35.6 93.2 73.9 477 127 C D H X S+ 0 0 18 -4,-2.8 4,-3.3 2,-0.2 5,-0.2 0.930 110.4 51.3 -61.7 -49.8 34.0 90.6 71.5 478 128 C F H X S+ 0 0 17 -4,-2.9 4,-2.4 1,-0.2 5,-0.4 0.937 113.4 45.9 -51.1 -49.6 30.4 91.9 72.1 479 129 C L H X>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 4,-2.3 0.935 114.0 47.1 -61.9 -48.0 31.5 95.4 71.3 480 130 C E H <>S+ 0 0 12 -4,-2.6 5,-0.8 -5,-0.2 -2,-0.2 0.952 115.8 46.7 -61.6 -45.3 33.5 94.4 68.2 481 131 C S H <5S+ 0 0 66 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.815 128.1 17.6 -67.3 -37.5 30.7 92.3 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107.4 55.5 494 144 C M H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.925 109.7 53.2 -67.5 -40.1 27.3 110.6 57.3 495 145 C G H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.931 111.2 48.2 -57.1 -42.7 30.8 111.9 56.2 496 146 C D H X S+ 0 0 38 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.852 109.9 51.8 -61.3 -43.5 29.7 111.2 52.6 497 147 C H H X S+ 0 0 9 -4,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.950 106.7 53.9 -64.5 -46.5 26.4 112.9 53.2 498 148 C L H X S+ 0 0 4 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.878 108.9 47.5 -55.7 -42.0 28.1 116.1 54.5 499 149 C T H X S+ 0 0 15 -4,-1.9 4,-2.1 241,-0.3 -1,-0.2 0.907 113.6 48.1 -72.4 -34.3 30.3 116.5 51.4 500 150 C N H X S+ 0 0 12 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.917 114.0 45.5 -67.5 -40.9 27.4 116.0 49.1 501 151 C I H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.4 0.955 111.2 55.4 -66.6 -44.1 25.2 118.4 51.0 502 152 C Q H X S+ 0 0 77 -4,-3.2 4,-1.2 -5,-0.2 -2,-0.2 0.849 108.5 46.3 -56.9 -36.5 28.2 120.8 51.1 503 153 C R H X S+ 0 0 43 -4,-2.1 4,-1.6 2,-0.2 358,-0.4 0.906 118.0 42.9 -73.6 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4,-1.7 1,-0.2 -2,-0.2 0.860 113.5 45.6 -64.5 -40.1 26.2 87.2 0.1 664 139 D K H X S+ 0 0 83 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.915 112.7 50.2 -69.1 -40.8 23.2 85.2 1.5 665 140 D L H X S+ 0 0 10 -4,-2.8 4,-2.7 -5,-0.3 5,-0.2 0.955 109.7 49.8 -64.8 -45.6 20.6 87.6 0.1 666 141 D I H X S+ 0 0 6 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.916 111.6 49.7 -63.4 -37.5 22.0 87.6 -3.4 667 142 D K H X S+ 0 0 49 -4,-1.7 4,-2.8 -5,-0.2 5,-0.3 0.953 108.8 52.0 -65.9 -42.3 22.1 83.8 -3.4 668 143 D K H X S+ 0 0 93 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.937 112.8 46.0 -55.2 -43.6 18.4 83.7 -2.2 669 144 D M H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.906 108.3 55.3 -67.2 -39.5 17.6 86.0 -5.1 670 145 D G H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.932 110.5 47.1 -56.0 -44.1 19.7 83.9 -7.5 671 146 D D H X S+ 0 0 70 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.880 109.6 52.7 -63.6 -43.2 17.6 80.9 -6.4 672 147 D H H X S+ 0 0 9 -4,-2.2 4,-3.0 -5,-0.3 5,-0.2 0.965 107.4 53.2 -61.1 -46.8 14.4 82.8 -6.8 673 148 D L H X S+ 0 0 4 -4,-2.7 4,-3.5 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F Q T 3 S+ 0 0 75 -2,-0.4 -1,-0.1 1,-0.3 70,-0.0 0.611 112.2 50.0 -41.1 -24.3 24.3 85.3 -12.1 879 4 F I T 3 S+ 0 0 16 69,-0.1 -1,-0.3 -212,-0.0 2,-0.1 0.696 78.5 113.3 -97.5 -18.4 25.2 85.6 -8.4 880 5 F R < + 0 0 51 -3,-1.9 2,-0.3 68,-0.2 68,-0.2 -0.324 35.6 161.2 -64.9 129.7 29.0 85.3 -8.6 881 6 F Q - 0 0 26 66,-0.6 3,-0.1 -2,-0.1 -3,-0.0 -0.924 64.6 -7.9-156.7 121.5 30.8 88.5 -7.6 882 7 F N S S+ 0 0 63 -2,-0.3 2,-0.6 1,-0.2 -2,-0.1 0.705 92.0 129.7 60.0 32.9 34.4 89.0 -6.5 883 8 F Y - 0 0 11 64,-0.1 -1,-0.2 4,-0.0 2,-0.2 -0.943 44.5-155.2-117.5 116.2 34.9 85.3 -6.3 884 9 F S > - 0 0 21 -2,-0.6 4,-2.8 1,-0.1 5,-0.2 -0.533 24.4-123.3 -92.7 160.5 38.0 84.2 -8.2 885 10 F T H > S+ 0 0 86 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.846 111.7 61.3 -70.5 -30.2 38.9 80.9 -9.7 886 11 F E H > S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.947 112.4 37.8 -59.0 -44.6 42.0 80.7 -7.6 887 12 F V H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.934 113.6 55.5 -71.0 -48.5 39.9 80.8 -4.5 888 13 F E H X S+ 0 0 32 -4,-2.8 4,-2.0 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