==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-JUN-08 3DEV . COMPND 2 MOLECULE: SH1221; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS HAEMOLYTICUS; . AUTHOR F.FOROUHAR,H.NEELY,J.SEETHARAMAN,L.MAO,R.XIAO,C.CICCOSANTI,E . 632 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28086.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 4 0.6 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 . 44 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 4 0 0 4 4 1 1 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 8 0 2 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 . 4 0 2 0 0 2 2 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 2 2 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 X 0 0 176 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.6 1.8 23.7 102.2 2 2 A V + 0 0 131 1,-0.1 2,-0.8 0, 0.0 3,-0.1 0.446 360.0 69.2-130.2 -19.7 2.2 22.7 98.6 3 3 A E >> - 0 0 76 1,-0.2 3,-2.5 2,-0.0 4,-0.9 -0.616 60.5-177.8-106.3 72.5 5.8 23.8 98.1 4 4 A I H 3> S+ 0 0 52 -2,-0.8 4,-2.3 1,-0.3 5,-0.2 0.751 76.0 68.7 -38.1 -41.5 7.7 21.2 100.3 5 5 A F H 3> S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.855 101.9 47.2 -49.2 -40.3 11.1 22.9 99.5 6 6 A N H <> S+ 0 0 56 -3,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.877 108.7 52.5 -69.9 -42.1 10.0 25.9 101.6 7 7 A E H X S+ 0 0 63 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.835 111.7 48.6 -65.4 -30.8 8.7 23.8 104.5 8 8 A I H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.990 110.2 47.9 -71.0 -59.8 12.1 22.1 104.6 9 9 A X H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.749 112.6 53.6 -50.3 -27.4 14.2 25.3 104.5 10 10 A Q H X S+ 0 0 103 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.982 106.5 47.3 -72.1 -61.1 11.9 26.5 107.3 11 11 A R H < S+ 0 0 51 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.812 114.5 52.8 -48.2 -32.0 12.4 23.5 109.5 12 12 A V H >< S+ 0 0 3 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.940 103.3 52.1 -70.7 -51.6 16.1 24.1 108.8 13 13 A K H 3< S+ 0 0 111 -4,-2.2 2,-0.6 1,-0.3 -1,-0.2 0.781 106.7 59.9 -58.8 -23.9 16.2 27.8 109.7 14 14 A E T 3< S+ 0 0 117 -4,-1.7 -1,-0.3 -5,-0.1 2,-0.2 -0.502 93.9 68.4-105.1 62.4 14.6 26.8 113.0 15 15 A A < - 0 0 18 -2,-0.6 3,-0.1 -3,-0.5 62,-0.1 -0.751 63.4-150.1-174.4 123.4 17.3 24.4 114.4 16 16 A E S S+ 0 0 119 60,-0.3 33,-2.3 -2,-0.2 2,-0.3 0.688 89.6 28.6 -75.6 -16.4 20.8 25.3 115.5 17 17 A T E +a 49 0A 15 59,-0.3 61,-1.4 31,-0.2 2,-0.4 -0.975 63.7 175.9-150.4 130.4 22.0 21.9 114.5 18 18 A I E -ab 50 78A 0 31,-1.7 33,-1.6 -2,-0.3 2,-0.4 -0.994 12.5-155.7-134.1 139.4 20.9 19.4 111.8 19 19 A I E -ab 51 79A 2 59,-2.0 61,-2.7 -2,-0.4 2,-0.4 -0.912 8.5-144.3-118.2 144.9 22.5 16.1 110.8 20 20 A I E -ab 52 80A 0 31,-3.1 33,-1.8 -2,-0.4 2,-0.2 -0.875 14.6-172.7-113.0 142.2 22.2 14.3 107.5 21 21 A H E - b 0 81A 0 59,-2.5 61,-2.0 -2,-0.4 2,-0.3 -0.722 3.5-169.6-123.1 172.2 22.0 10.5 106.8 22 22 A R - 0 0 0 31,-0.3 69,-3.1 -2,-0.2 70,-0.2 -0.948 37.4 -72.1-154.0 168.7 22.1 8.2 103.7 23 23 A H B -E 90 0B 17 60,-1.5 67,-0.3 59,-0.4 69,-0.1 -0.116 50.9-101.5 -65.5 166.0 21.4 4.6 103.0 24 24 A V S S+ 0 0 42 65,-2.8 31,-0.2 1,-0.1 67,-0.1 0.935 107.1 47.4 -50.6 -99.5 23.8 1.8 104.0 25 25 A R S S- 0 0 186 1,-0.1 -1,-0.1 66,-0.1 -2,-0.1 -0.300 94.0-141.0 -50.2 104.8 25.9 0.7 101.0 26 26 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.328 21.5-171.7 -74.1 152.3 26.9 4.2 99.9 27 27 A D > - 0 0 40 -4,-0.1 4,-1.9 -2,-0.1 5,-0.2 -0.881 44.0 -92.3-134.7 165.5 27.2 5.3 96.2 28 28 A P H > S+ 0 0 27 0, 0.0 4,-3.7 0, 0.0 5,-0.2 0.870 126.3 45.9 -48.4 -40.8 28.6 8.5 94.6 29 29 A D H > S+ 0 0 0 125,-0.3 4,-4.2 2,-0.2 5,-0.5 0.974 110.3 50.5 -66.1 -57.3 25.1 10.1 94.7 30 30 A A H > S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.790 118.1 44.8 -51.6 -26.0 24.2 9.1 98.3 31 31 A Y H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 5,-0.4 0.945 116.3 40.9 -83.6 -54.4 27.6 10.7 99.0 32 32 A G H X S+ 0 0 0 -4,-3.7 4,-2.4 118,-0.3 119,-0.2 0.895 114.3 53.4 -60.9 -41.8 27.4 13.8 96.9 33 33 A S H X S+ 0 0 0 -4,-4.2 4,-2.1 -5,-0.2 -1,-0.2 0.893 115.0 41.2 -62.5 -38.9 23.8 14.4 98.0 34 34 A Q H X S+ 0 0 0 -4,-0.8 4,-2.5 -5,-0.5 -2,-0.2 0.995 120.7 38.8 -70.7 -69.4 24.7 14.2 101.7 35 35 A L H X S+ 0 0 5 -4,-2.2 4,-3.3 1,-0.2 5,-0.2 0.813 117.3 56.1 -49.7 -32.3 28.0 16.1 101.7 36 36 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.4 -1,-0.2 0.965 106.4 44.6 -66.5 -55.1 26.3 18.5 99.2 37 37 A L H X S+ 0 0 6 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.942 119.0 47.8 -53.8 -47.2 23.3 19.4 101.3 38 38 A K H X S+ 0 0 20 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.969 110.5 47.1 -55.7 -64.0 25.8 19.8 104.2 39 39 A L H < S+ 0 0 30 -4,-3.3 4,-0.4 1,-0.2 -1,-0.2 0.809 114.7 51.4 -48.9 -35.4 28.4 21.9 102.4 40 40 A Y H >X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 3,-1.3 0.967 111.4 43.8 -67.0 -57.5 25.5 24.0 101.1 41 41 A L H >X S+ 0 0 2 -4,-2.8 4,-3.0 1,-0.3 3,-1.3 0.952 108.4 57.9 -53.8 -54.4 23.9 24.6 104.5 42 42 A E H 3< S+ 0 0 78 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.712 109.0 48.4 -49.5 -21.3 27.3 25.3 106.1 43 43 A R H <4 S+ 0 0 74 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.771 116.7 41.0 -89.9 -29.1 27.6 28.1 103.6 44 44 A K H << S+ 0 0 49 -4,-1.4 -2,-0.2 -3,-1.3 -3,-0.2 0.893 129.2 22.2 -85.9 -45.5 24.2 29.5 104.3 45 45 A F >< + 0 0 20 -4,-3.0 3,-3.0 -5,-0.1 -1,-0.2 -0.534 61.5 166.4-124.8 68.2 24.0 29.3 108.1 46 46 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.662 75.4 70.6 -54.4 -16.3 27.6 29.1 109.4 47 47 A E T 3 S+ 0 0 129 -3,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.530 94.0 68.5 -76.6 -11.7 26.0 29.9 112.9 48 48 A K S < S- 0 0 11 -3,-3.0 2,-0.6 -7,-0.1 -31,-0.2 -0.479 85.2-114.9-103.2 177.0 24.5 26.3 112.9 49 49 A N E -a 17 0A 74 -33,-2.3 -31,-1.7 -2,-0.2 2,-0.5 -0.924 29.4-175.9-119.9 107.9 26.1 22.9 113.2 50 50 A I E +a 18 0A 2 -2,-0.6 2,-0.3 -33,-0.2 -31,-0.2 -0.892 7.6 175.0-106.5 131.0 25.7 20.6 110.2 51 51 A Y E -a 19 0A 66 -33,-1.6 -31,-3.1 -2,-0.5 2,-0.5 -0.951 21.9-151.2-133.1 151.1 27.0 17.0 110.3 52 52 A A E -a 20 0A 0 -2,-0.3 15,-3.1 -33,-0.2 2,-0.3 -0.959 16.8-160.3-126.9 111.9 26.9 14.0 108.0 53 53 A T + 0 0 10 -33,-1.8 2,-0.3 -2,-0.5 -31,-0.3 -0.685 27.6 129.4 -92.8 146.4 26.9 10.5 109.7 54 54 A G - 0 0 17 13,-0.4 12,-0.1 -2,-0.3 -30,-0.1 -0.956 66.7-100.8 179.4 165.7 27.9 7.4 107.9 55 55 A E - 0 0 158 -2,-0.3 -1,-0.1 -31,-0.2 -31,-0.0 0.846 62.9-127.8 -68.0 -34.5 30.1 4.3 108.0 56 56 A A - 0 0 51 1,-0.1 5,-0.1 -3,-0.1 9,-0.0 0.905 12.8-139.4 82.1 92.7 32.5 6.0 105.6 57 57 A E > - 0 0 73 1,-0.1 3,-1.8 3,-0.1 4,-0.2 -0.723 2.8-149.2 -82.6 112.6 33.4 4.0 102.5 58 58 A P G > S+ 0 0 104 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.707 95.7 69.9 -54.8 -19.9 37.1 4.4 101.7 59 59 A S G 3 S+ 0 0 75 1,-0.2 3,-0.3 2,-0.1 -2,-0.0 0.899 107.9 33.5 -64.1 -41.6 36.1 4.0 98.0 60 60 A L G X> S+ 0 0 12 -3,-1.8 3,-1.6 1,-0.2 4,-1.0 0.156 83.8 117.0-101.0 16.6 34.4 7.4 98.1 61 61 A S T <4 S+ 0 0 63 -3,-0.8 3,-0.3 1,-0.3 -1,-0.2 0.862 70.8 59.7 -51.0 -39.4 36.9 8.9 100.5 62 62 A F T 34 S+ 0 0 38 -3,-0.3 -1,-0.3 -4,-0.3 3,-0.1 0.745 95.5 61.9 -64.4 -26.1 38.0 11.4 97.9 63 63 A I T <4 S- 0 0 3 -3,-1.6 2,-0.2 1,-0.3 -1,-0.2 0.926 124.8 -60.0 -65.5 -45.7 34.4 12.8 97.6 64 64 A G < - 0 0 17 -4,-1.0 -1,-0.3 -3,-0.3 2,-0.2 -0.792 48.2-101.0 166.0 152.0 34.5 14.0 101.2 65 65 A D - 0 0 129 -2,-0.2 2,-0.1 -3,-0.1 -13,-0.1 -0.494 34.7-127.0 -87.2 158.4 34.9 12.7 104.8 66 66 A L - 0 0 30 -2,-0.2 2,-0.3 -12,-0.1 -13,-0.2 -0.360 22.0-106.6 -96.4-179.6 32.0 12.2 107.2 67 67 A D - 0 0 48 -15,-3.1 2,-1.0 -2,-0.1 -13,-0.4 -0.846 18.6-126.0-111.5 148.8 31.5 13.6 110.8 68 68 A E - 0 0 178 -2,-0.3 2,-0.2 -15,-0.1 -15,-0.1 -0.788 29.0-155.7 -95.8 98.4 31.7 11.7 114.1 69 69 A I - 0 0 12 -2,-1.0 -50,-0.0 1,-0.1 -18,-0.0 -0.548 12.7-144.2 -76.5 135.4 28.4 12.3 115.8 70 70 A D - 0 0 118 -2,-0.2 2,-1.6 1,-0.1 -1,-0.1 0.068 29.4-129.1 -88.5 22.7 28.3 12.0 119.6 71 71 A D S S+ 0 0 104 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.267 100.8 75.4 51.4 -13.6 24.8 10.5 119.7 72 72 A S S > S+ 0 0 84 -2,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.419 77.5 71.2-102.3 -3.0 23.9 13.2 122.3 73 73 A V T 3 S+ 0 0 43 1,-0.2 3,-0.5 2,-0.1 -1,-0.2 0.703 79.9 76.9 -83.5 -20.0 23.7 16.0 119.7 74 74 A Y T > + 0 0 5 1,-0.2 3,-0.8 2,-0.1 -1,-0.2 0.547 70.0 99.4 -63.6 -6.8 20.5 14.3 118.4 75 75 A S T < S- 0 0 101 -3,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.952 102.5 -0.6 -44.6 -73.8 18.9 15.9 121.5 76 76 A D T 3 S+ 0 0 126 -3,-0.5 -59,-0.3 22,-0.1 2,-0.3 -0.656 106.8 114.0-125.5 75.7 17.4 19.0 119.8 77 77 A A < - 0 0 2 -3,-0.8 22,-2.4 -2,-0.4 2,-0.5 -0.959 63.3-112.1-143.1 159.3 18.3 18.7 116.2 78 78 A L E -b 18 0A 3 -61,-1.4 -59,-2.0 -2,-0.3 2,-0.5 -0.808 27.7-149.8 -95.7 128.0 16.7 18.1 112.8 79 79 A V E -bc 19 101A 0 21,-2.2 23,-2.4 -2,-0.5 2,-0.5 -0.869 9.2-168.7-102.5 128.4 17.5 14.8 111.0 80 80 A I E -bc 20 102A 2 -61,-2.7 -59,-2.5 -2,-0.5 2,-1.5 -0.908 7.7-159.5-119.6 99.8 17.6 14.7 107.2 81 81 A V E -bc 21 103A 0 21,-1.3 23,-1.1 -2,-0.5 2,-0.3 -0.647 19.6-160.8 -81.9 92.2 17.8 11.2 105.7 82 82 A C E - c 0 104A 0 -61,-2.0 -59,-0.4 -2,-1.5 23,-0.2 -0.587 57.2 -7.6 -80.1 129.5 19.1 12.0 102.3 83 83 A D S S+ 0 0 0 21,-3.3 -60,-1.5 -2,-0.3 2,-0.2 0.959 84.5 134.1 50.3 85.8 18.7 9.4 99.5 84 84 A T - 0 0 0 -3,-0.3 -1,-0.1 -62,-0.2 6,-0.1 -0.757 41.7-157.1-166.1 112.1 17.3 6.2 101.0 85 85 A A S S+ 0 0 31 -2,-0.2 26,-0.4 1,-0.1 2,-0.3 0.977 83.6 20.8 -49.8 -75.6 14.4 4.0 99.7 86 86 A N S > S- 0 0 65 1,-0.1 3,-1.0 25,-0.1 -1,-0.1 -0.803 74.3-128.6-105.4 143.5 13.5 2.3 103.0 87 87 A A G > S+ 0 0 9 -2,-0.3 3,-3.2 1,-0.3 -1,-0.1 0.891 106.2 59.1 -51.9 -51.8 14.2 3.5 106.6 88 88 A P G 3 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 5,-0.0 0.812 101.9 58.7 -50.7 -29.2 15.8 0.2 107.8 89 89 A R G < S+ 0 0 111 -3,-1.0 -65,-2.8 -66,-0.1 -2,-0.2 0.332 81.3 113.6 -82.5 4.2 18.3 0.7 105.0 90 90 A I B < -E 23 0B 1 -3,-3.2 -67,-0.3 -67,-0.3 -6,-0.1 -0.523 68.2-129.4 -75.4 147.3 19.4 4.1 106.4 91 91 A D S S+ 0 0 25 -69,-3.1 2,-0.2 -2,-0.2 -1,-0.1 0.932 87.7 36.4 -64.5 -98.7 22.9 4.1 107.7 92 92 A D S > S- 0 0 23 -39,-0.2 3,-0.6 -70,-0.2 -1,-0.1 -0.412 73.4-155.5 -57.7 121.8 23.3 5.5 111.2 93 93 A Q G > S+ 0 0 98 1,-0.2 3,-0.7 -2,-0.2 -1,-0.2 0.497 78.3 82.1 -82.6 -1.9 20.1 4.2 113.0 94 94 A R G > + 0 0 51 1,-0.2 3,-1.0 2,-0.1 -1,-0.2 0.200 61.4 101.9 -86.8 19.8 20.0 6.9 115.6 95 95 A Y G < S+ 0 0 16 -3,-0.6 3,-0.5 1,-0.3 -1,-0.2 0.881 71.8 60.5 -68.5 -39.2 18.3 9.2 113.1 96 96 A L G < S+ 0 0 123 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.485 89.5 78.6 -67.8 -0.4 14.8 8.5 114.7 97 97 A N S < S+ 0 0 103 -3,-1.0 -1,-0.3 3,-0.0 2,-0.2 -0.214 77.7 94.5-102.1 41.5 16.4 10.0 117.8 98 98 A G S S- 0 0 19 -3,-0.5 -20,-0.2 1,-0.1 -23,-0.1 -0.737 88.6-100.0-123.9 174.3 16.1 13.6 116.7 99 99 A Q S S- 0 0 125 -22,-2.4 2,-0.3 -2,-0.2 -21,-0.2 0.992 100.8 -7.2 -55.0 -73.0 13.5 16.4 117.1 100 100 A S - 0 0 12 -23,-0.5 -21,-2.2 -89,-0.1 2,-0.4 -0.896 69.2-131.5-126.9 156.5 11.8 16.0 113.7 101 101 A L E +c 79 0A 16 -2,-0.3 14,-1.7 -23,-0.2 15,-1.1 -0.918 21.1 176.8-114.3 134.8 12.6 13.8 110.6 102 102 A I E -cd 80 116A 5 -23,-2.4 -21,-1.3 -2,-0.4 2,-0.4 -0.999 8.7-164.1-137.6 131.0 12.7 14.9 107.0 103 103 A K E -cd 81 117A 1 13,-2.0 15,-2.2 -2,-0.4 2,-0.5 -0.929 9.8-170.4-122.4 144.1 13.7 12.8 103.9 104 104 A I E +cd 82 118A 6 -23,-1.1 -21,-3.3 -2,-0.4 2,-0.3 -0.983 26.8 145.7-130.1 118.6 14.6 13.6 100.4 105 105 A D E - d 0 119A 1 13,-1.7 15,-1.2 -2,-0.5 18,-0.1 -0.929 44.9-146.5-148.1 170.6 14.9 10.8 97.8 106 106 A H + 0 0 18 -2,-0.3 13,-0.1 13,-0.2 3,-0.1 0.187 69.4 99.9-124.3 12.4 14.3 9.9 94.2 107 107 A H S S- 0 0 68 1,-0.2 -2,-0.1 15,-0.0 14,-0.1 -0.581 91.7 -69.7 -94.7 162.4 13.2 6.3 94.6 108 108 A P - 0 0 92 0, 0.0 2,-1.5 0, 0.0 3,-0.4 -0.234 53.9-112.2 -53.4 134.5 9.6 5.2 94.5 109 109 A A S S+ 0 0 51 1,-0.2 -23,-0.1 10,-0.1 -24,-0.1 -0.533 70.1 128.9 -71.8 90.4 7.8 6.4 97.6 110 110 A T S S+ 0 0 98 -2,-1.5 -1,-0.2 -25,-0.2 -24,-0.1 0.635 75.8 35.4-114.9 -24.5 7.0 3.2 99.4 111 111 A D - 0 0 55 -26,-0.4 -25,-0.1 -3,-0.4 -2,-0.1 0.888 67.2-175.5 -95.1 -52.7 8.3 4.0 102.9 112 112 A Q + 0 0 87 -27,-0.3 -26,-0.1 1,-0.1 -3,-0.1 0.769 23.8 170.5 59.4 23.8 7.5 7.7 103.3 113 113 A Y + 0 0 20 -11,-0.0 -10,-0.2 3,-0.0 -1,-0.1 -0.214 36.8 46.8 -60.4 155.4 9.3 7.6 106.6 114 114 A G S S- 0 0 21 -12,-0.1 -12,-0.2 -3,-0.1 3,-0.1 0.195 91.7 -89.7 87.9 147.6 9.9 11.0 108.2 115 115 A D S S+ 0 0 101 -14,-1.7 2,-0.6 1,-0.2 -13,-0.2 0.972 113.8 35.2 -56.2 -66.3 7.6 14.0 108.8 116 116 A V E S-d 102 0A 12 -15,-1.1 -13,-2.0 -109,-0.0 2,-0.5 -0.853 76.0-168.6 -97.1 121.9 8.2 15.9 105.6 117 117 A N E +d 103 0A 39 -2,-0.6 2,-0.5 -15,-0.2 -13,-0.2 -0.943 10.8 176.3-118.0 121.5 8.7 13.6 102.6 118 118 A F E +d 104 0A 38 -15,-2.2 -13,-1.7 -2,-0.5 2,-0.5 -0.930 5.9 169.7-124.2 107.0 9.9 14.9 99.2 119 119 A V E -d 105 0A 36 -2,-0.5 2,-1.6 -15,-0.2 -13,-0.2 -0.919 17.7-166.8-122.2 105.6 10.5 12.3 96.5 120 120 A N > - 0 0 52 -15,-1.2 3,-2.7 -2,-0.5 5,-0.1 -0.667 10.0-178.0 -90.3 81.4 11.1 13.5 92.9 121 121 A T T 3 S+ 0 0 106 -2,-1.6 -1,-0.2 1,-0.3 -15,-0.1 0.857 79.7 56.3 -48.2 -39.7 10.7 10.2 91.3 122 122 A E T 3 S+ 0 0 154 -3,-0.2 -1,-0.3 -15,-0.1 2,-0.2 0.418 85.0 108.8 -78.7 4.6 11.5 11.8 88.0 123 123 A A S < S- 0 0 10 -3,-2.7 3,-0.1 1,-0.1 44,-0.0 -0.546 70.6-135.1 -81.7 145.7 14.9 13.1 89.2 124 124 A S S S- 0 0 1 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.790 82.6 -19.8 -69.4 -25.0 18.1 11.5 87.9 125 125 A S > - 0 0 0 1,-0.1 4,-1.5 -5,-0.1 -1,-0.2 -0.977 64.8-100.1-173.2 163.4 19.5 11.4 91.4 126 126 A T H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.895 119.5 60.9 -63.0 -38.9 19.1 12.9 94.9 127 127 A S H > S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.930 103.0 52.1 -50.6 -47.7 22.1 15.2 94.1 128 128 A E H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.897 106.3 52.7 -57.1 -40.8 20.0 16.6 91.3 129 129 A I H X S+ 0 0 1 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.881 107.3 53.7 -62.6 -37.2 17.2 17.2 93.8 130 130 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.908 106.0 50.7 -64.9 -42.6 19.7 19.0 96.0 131 131 A F H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.911 109.9 51.7 -61.0 -40.1 20.7 21.3 93.2 132 132 A D H X S+ 0 0 30 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.912 109.9 50.0 -58.7 -47.4 17.0 22.0 92.6 133 133 A F H >< S+ 0 0 8 -4,-2.3 3,-0.9 2,-0.2 4,-0.3 0.964 114.8 40.3 -57.5 -59.3 16.5 22.9 96.2 134 134 A I H ><>S+ 0 0 0 -4,-2.5 5,-1.8 1,-0.3 3,-1.4 0.852 112.9 57.0 -62.3 -31.9 19.4 25.3 96.5 135 135 A S H ><5S+ 0 0 46 -4,-2.3 3,-1.1 -5,-0.3 -1,-0.3 0.767 99.1 61.2 -69.5 -24.3 18.5 26.7 93.1 136 136 A H T <<5S+ 0 0 72 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.506 104.2 49.4 -78.8 -5.3 15.1 27.4 94.5 137 137 A F T < 5S- 0 0 43 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.091 110.5-119.5-120.7 22.1 16.7 29.7 97.0 138 138 A N T < 5S+ 0 0 129 -3,-1.1 3,-0.5 1,-0.2 -3,-0.2 0.722 72.1 135.3 46.0 27.3 18.8 31.6 94.5 139 139 A D >< + 0 0 11 -5,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.100 23.3 115.1 -90.2 23.7 21.8 30.4 96.4 140 140 A L T 4 S+ 0 0 43 1,-0.2 -1,-0.2 2,-0.2 -5,-0.1 0.536 82.5 48.0 -69.4 -2.4 23.7 29.5 93.2 141 141 A S T 4 S+ 0 0 91 -3,-0.5 -1,-0.2 1,-0.0 -2,-0.1 0.723 104.9 54.9-103.5 -35.7 26.1 32.3 94.2 142 142 A I T 4 S+ 0 0 62 -4,-0.2 -2,-0.2 -3,-0.1 2,-0.1 0.774 98.0 82.2 -68.8 -28.7 26.5 31.2 97.9 143 143 A I < - 0 0 6 -4,-1.6 2,-0.2 -9,-0.1 -103,-0.1 -0.397 64.6-175.6 -76.2 154.0 27.6 27.8 96.6 144 144 A D >> - 0 0 35 -2,-0.1 4,-2.2 37,-0.1 3,-0.7 -0.773 43.9 -69.5-139.7-173.7 31.2 27.2 95.4 145 145 A E H 3> S+ 0 0 72 1,-0.2 4,-1.6 -2,-0.2 36,-0.0 0.822 124.5 56.8 -50.5 -38.1 33.6 24.7 93.9 146 146 A H H 3> S+ 0 0 109 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.895 110.4 41.5 -65.1 -40.5 33.6 22.5 97.0 147 147 A V H <> S+ 0 0 0 -3,-0.7 4,-1.7 1,-0.2 3,-0.3 0.933 112.7 51.4 -71.8 -49.6 29.8 22.0 96.9 148 148 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.838 99.6 69.0 -57.0 -35.2 29.4 21.5 93.2 149 149 A R H X S+ 0 0 36 -4,-1.6 4,-2.2 -5,-0.3 5,-0.3 0.947 104.7 38.0 -47.8 -60.5 32.1 18.9 93.3 150 150 A V H X S+ 0 0 3 -4,-0.9 4,-3.0 -3,-0.3 -118,-0.3 0.933 114.9 53.9 -60.3 -48.3 30.1 16.4 95.2 151 151 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 -119,-0.2 5,-0.2 0.904 112.2 45.1 -53.4 -47.3 26.8 17.2 93.5 152 152 A Y H X S+ 0 0 0 -4,-3.2 4,-3.3 2,-0.2 3,-0.4 0.998 113.8 47.2 -57.1 -72.0 28.5 16.6 90.0 153 153 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.831 112.4 54.7 -36.5 -42.6 30.2 13.4 91.1 154 154 A G H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.3 -125,-0.3 0.963 111.3 39.7 -61.3 -55.4 26.8 12.4 92.5 155 155 A I H X S+ 0 0 1 -4,-2.6 4,-1.3 -3,-0.4 7,-0.3 0.958 115.0 57.8 -59.5 -45.1 24.8 12.9 89.4 156 156 A V H ><>S+ 0 0 0 -4,-3.3 5,-3.0 -5,-0.2 3,-0.6 0.914 110.7 38.8 -49.3 -58.0 27.8 11.4 87.5 157 157 A G H ><5S+ 0 0 21 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.933 112.1 55.3 -62.7 -47.8 27.9 8.1 89.3 158 158 A D H 3<5S+ 0 0 35 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.684 121.2 32.0 -60.6 -19.1 24.1 7.6 89.7 159 159 A T T S- 0 0 0 -4,-1.3 4,-2.9 -3,-0.6 5,-2.2 0.275 109.4-117.6-119.4 7.5 23.8 7.9 85.9 160 160 A G T <45S- 0 0 21 -3,-1.4 -3,-0.2 -4,-0.4 -4,-0.1 0.945 84.2 -38.3 53.7 54.0 27.1 6.4 84.9 161 161 A R T 4 - 0 0 29 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.687 44.4-104.4-110.1 167.0 17.2 13.8 81.2 169 169 A P H > S+ 0 0 51 0, 0.0 4,-2.0 0, 0.0 328,-0.1 0.803 125.1 53.2 -60.3 -26.0 17.8 17.1 79.4 170 170 A H H > S+ 0 0 68 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.930 103.4 56.2 -73.7 -42.9 17.4 18.8 82.8 171 171 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.943 108.1 48.1 -52.8 -49.7 20.0 16.4 84.3 172 172 A X H X S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 -1,-0.2 0.963 109.2 53.2 -54.1 -53.3 22.4 17.6 81.7 173 173 A E H X S+ 0 0 81 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.865 108.7 49.0 -50.2 -43.8 21.6 21.2 82.3 174 174 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.953 112.1 48.5 -62.4 -47.1 22.3 20.8 86.0 175 175 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.926 109.8 54.5 -56.3 -45.3 25.6 19.1 85.1 176 176 A S H X S+ 0 0 9 -4,-3.4 4,-0.6 1,-0.2 -1,-0.2 0.950 109.1 47.0 -52.4 -53.5 26.2 22.0 82.8 177 177 A Q H >X S+ 0 0 72 -4,-2.8 3,-0.6 1,-0.2 4,-0.5 0.833 108.3 54.1 -61.0 -36.2 25.7 24.5 85.6 178 178 A L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.896 100.4 60.0 -66.7 -40.3 27.9 22.7 88.1 179 179 A L H 3< S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.3 4,-0.2 0.683 86.8 77.1 -60.9 -20.0 30.9 22.6 85.7 180 180 A A H << S+ 0 0 69 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.930 81.9 80.7 -55.2 -44.6 30.8 26.4 85.7 181 181 A Y S << S- 0 0 39 -3,-1.4 2,-0.4 -4,-0.5 3,-0.3 -0.421 97.5-107.0 -66.5 131.8 32.4 26.2 89.1 182 182 A P S S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 -0.430 79.2 105.9 -64.1 114.7 36.3 25.7 89.1 183 183 A F S S- 0 0 31 -2,-0.4 5,-0.3 -4,-0.2 -4,-0.1 0.355 76.1-116.4-164.7 -9.4 37.1 22.1 90.2 184 184 A N > - 0 0 88 -3,-0.3 4,-1.7 -5,-0.2 5,-0.2 0.955 18.0-156.7 60.3 97.0 38.2 20.2 87.0 185 185 A H H > S+ 0 0 13 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.907 88.4 64.3 -68.2 -41.4 35.8 17.3 86.3 186 186 A N H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 108.0 41.8 -49.4 -47.2 38.4 15.4 84.3 187 187 A A H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.991 116.7 45.7 -62.3 -64.3 40.6 15.0 87.4 188 188 A E H X S+ 0 0 24 -4,-1.7 4,-0.8 -5,-0.3 -2,-0.2 0.882 112.5 53.6 -46.6 -47.1 37.7 14.2 89.8 189 189 A L H >X S+ 0 0 1 -4,-3.8 4,-1.4 1,-0.2 3,-0.8 0.923 108.2 48.7 -56.9 -48.6 36.3 11.8 87.3 190 190 A N H >X S+ 0 0 51 -4,-2.0 4,-1.4 -5,-0.3 3,-0.6 0.927 105.7 55.0 -58.9 -50.0 39.5 9.8 86.8 191 191 A K H 3< S+ 0 0 101 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.725 112.2 47.6 -57.7 -18.4 40.1 9.4 90.6 192 192 A X H << S+ 0 0 56 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.743 111.7 48.9 -92.3 -25.6 36.6 7.9 90.6 193 193 A S H << S+ 0 0 36 -4,-1.4 -2,-0.2 -3,-0.6 -3,-0.2 0.486 82.1 127.6 -91.1 -5.9 37.3 5.7 87.6 194 194 A E < - 0 0 98 -4,-1.4 2,-0.3 -5,-0.2 371,-0.2 -0.056 42.3-159.2 -49.2 155.6 40.5 4.3 89.0 195 195 A K B -f 565 0C 98 369,-1.3 371,-1.8 3,-0.0 3,-0.1 -0.944 21.3-107.6-138.5 158.2 40.8 0.5 89.1 196 196 A D >> - 0 0 78 -2,-0.3 3,-1.0 1,-0.2 4,-0.8 -0.785 16.2-154.5 -91.0 117.0 42.9 -2.1 91.0 197 197 A P G >4 S+ 0 0 16 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.813 90.6 73.0 -58.1 -28.1 45.5 -3.7 88.8 198 198 A K G 34 S+ 0 0 155 1,-0.3 4,-0.4 2,-0.2 -2,-0.0 0.894 102.3 38.5 -51.7 -46.1 45.4 -6.6 91.2 199 199 A L G <> S+ 0 0 17 -3,-1.0 4,-2.1 1,-0.2 -1,-0.3 0.623 96.4 85.1 -82.8 -13.8 42.0 -7.7 89.9 200 200 A X H S+ 0 0 37 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.918 110.1 47.6 -60.4 -45.7 44.5 -10.3 85.5 202 202 A F H >> S+ 0 0 1 -4,-0.4 4,-1.7 1,-0.2 3,-1.4 0.921 105.5 57.9 -59.7 -47.8 41.4 -12.1 86.7 203 203 A Q H 3X S+ 0 0 35 -4,-2.1 4,-1.4 1,-0.3 -1,-0.2 0.780 101.2 58.2 -53.6 -28.8 39.1 -9.8 84.6 204 204 A G H 3X S+ 0 0 0 -4,-1.0 4,-1.1 -3,-0.5 -1,-0.3 0.834 101.7 54.7 -70.6 -32.8 41.2 -11.1 81.7 205 205 A Y H - 0 0 35 5,-2.4 3,-1.1 -2,-0.3 -1,-0.1 -0.211 32.8-106.3 -67.8 166.5 24.8 -18.1 72.3 214 214 A D T 3 S+ 0 0 168 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.777 128.7 47.4 -65.0 -22.6 25.1 -18.7 68.5 215 215 A S T 3 S- 0 0 59 3,-0.1 -1,-0.3 35,-0.0 -2,-0.0 0.482 108.3-129.1 -94.6 -7.8 22.8 -15.6 68.4 216 216 A H S < S+ 0 0 63 -3,-1.1 36,-0.2 2,-0.2 -2,-0.1 0.381 79.7 113.5 72.3 -1.8 24.9 -13.6 70.9 217 217 A E S S+ 0 0 21 34,-0.2 36,-3.3 35,-0.1 35,-2.0 0.787 72.4 46.7 -70.3 -29.1 21.7 -12.9 72.9 218 218 A Y E + h 0 253D 3 34,-0.2 -5,-2.4 33,-0.2 2,-0.3 -0.941 62.6 171.2-119.7 139.3 22.8 -15.0 76.0 219 219 A C E +Gh 212 254D 0 34,-1.6 36,-2.2 -2,-0.4 2,-0.3 -0.990 2.8 174.8-147.4 136.0 26.2 -15.0 77.8 220 220 A Q E - h 0 255D 11 -9,-0.8 2,-0.3 -2,-0.3 36,-0.2 -0.917 16.4-153.3-138.4 164.4 27.5 -16.6 81.0 221 221 A I E - h 0 256D 0 34,-1.1 36,-1.7 -2,-0.3 2,-0.7 -0.927 8.0-153.7-143.7 115.3 30.7 -17.0 83.0 222 222 A K E - h 0 257D 101 -2,-0.3 2,-1.0 -12,-0.2 36,-0.2 -0.792 6.4-165.9 -93.7 112.2 31.4 -19.9 85.4 223 223 A I E - h 0 258D 0 34,-3.0 36,-2.6 -2,-0.7 -2,-0.0 -0.770 14.7-160.5 -98.8 90.4 33.9 -18.9 88.1 224 224 A T > - 0 0 44 -2,-1.0 4,-1.7 34,-0.2 3,-0.3 -0.293 32.1-109.1 -67.6 153.0 35.0 -22.3 89.6 225 225 A N H > S+ 0 0 65 1,-0.2 4,-0.9 2,-0.2 5,-0.2 0.849 117.2 64.5 -52.3 -32.2 36.5 -22.3 93.0 226 226 A D H >> S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 3,-1.7 0.963 103.2 42.9 -55.4 -58.3 39.8 -23.2 91.3 227 227 A V H 3> S+ 0 0 5 -3,-0.3 4,-2.1 1,-0.3 -1,-0.2 0.822 104.8 67.2 -59.6 -30.6 40.1 -19.9 89.4 228 228 A L H 3<>S+ 0 0 1 -4,-1.7 5,-2.7 1,-0.2 -1,-0.3 0.766 115.7 26.9 -61.6 -24.0 39.0 -18.1 92.6 229 229 A K H <<5S+ 0 0 106 -3,-1.7 -2,-0.2 -4,-0.9 -1,-0.2 0.602 111.8 67.1-110.6 -19.3 42.3 -19.2 94.1 230 230 A Q H <5S+ 0 0 132 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.848 116.7 30.2 -66.9 -35.9 44.3 -19.5 90.9 231 231 A F T <5S- 0 0 36 -4,-2.1 -1,-0.2 -5,-0.2 -29,-0.2 0.330 113.2-125.3-102.5 3.3 44.0 -15.7 90.6 232 232 A D T 5 + 0 0 122 1,-0.2 2,-0.3 -5,-0.2 -3,-0.2 0.964 58.4 138.2 47.9 76.2 43.9 -15.4 94.4 233 233 A I < - 0 0 5 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.994 53.3-112.2-147.6 143.5 40.6 -13.4 94.8 234 234 A Q > - 0 0 101 -2,-0.3 4,-2.1 1,-0.1 5,-0.3 -0.376 31.4-114.2 -73.3 154.4 37.7 -13.6 97.2 235 235 A P H > S+ 0 0 28 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.856 117.8 53.7 -56.5 -34.5 34.3 -14.7 96.0 236 236 A N H >4 S+ 0 0 111 2,-0.2 3,-0.6 1,-0.2 4,-0.3 0.982 106.4 49.4 -63.8 -56.3 33.1 -11.2 96.7 237 237 A E H >4 S+ 0 0 79 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.898 110.9 48.4 -48.8 -52.3 35.7 -9.4 94.7 238 238 A A H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.3 -1,-0.3 0.809 99.6 69.7 -61.4 -29.7 35.3 -11.5 91.6 239 239 A S T << S+ 0 0 1 -4,-1.3 -1,-0.3 -3,-0.6 3,-0.3 0.500 84.4 70.4 -67.8 -3.7 31.5 -11.0 91.8 240 240 A Q T < S+ 0 0 124 -3,-1.7 2,-0.5 -4,-0.3 3,-0.4 0.541 80.2 77.5 -90.5 -6.6 31.9 -7.3 90.9 241 241 A F X + 0 0 14 -3,-1.7 3,-0.6 1,-0.2 -1,-0.2 -0.241 57.5 116.4 -95.2 47.5 32.9 -8.2 87.3 242 242 A V G > S+ 0 0 4 -2,-0.5 3,-0.8 -3,-0.3 2,-0.6 0.979 73.4 47.5 -77.9 -55.3 29.4 -8.9 86.2 243 243 A N G 3 S+ 0 0 76 -3,-0.4 4,-0.3 1,-0.3 -1,-0.2 0.066 79.9 105.9 -74.8 29.8 29.0 -6.2 83.7 244 244 A T G < S+ 0 0 30 -3,-0.6 -1,-0.3 -2,-0.6 -2,-0.1 0.483 90.0 34.2 -87.8 1.2 32.4 -7.1 82.2 245 245 A V S X S+ 0 0 2 -3,-0.8 3,-1.7 -26,-0.1 -1,-0.2 0.331 88.5 101.4-130.5 -1.2 30.5 -8.7 79.2 246 246 A A T 3 S+ 0 0 8 1,-0.3 -2,-0.1 -4,-0.1 5,-0.1 0.768 73.7 62.2 -57.7 -32.0 27.6 -6.4 79.0 247 247 A D T 3 S+ 0 0 63 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1,-0.2 -1,-0.2 0.882 107.3 53.9 -62.1 -37.0 29.6 24.3 66.3 447 130 B I H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.914 106.0 50.5 -64.7 -43.2 26.7 23.1 64.1 448 131 B F H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.911 110.1 51.7 -60.8 -40.0 24.2 23.4 66.9 449 132 B D H X S+ 0 0 31 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.913 110.0 49.9 -58.9 -47.0 25.5 26.9 67.5 450 133 B F H >< S+ 0 0 8 -4,-2.3 3,-0.9 2,-0.2 4,-0.3 0.962 114.8 40.3 -58.1 -58.6 25.0 27.7 63.9 451 134 B I H ><>S+ 0 0 0 -4,-2.6 5,-1.8 1,-0.3 3,-1.4 0.849 112.8 57.2 -62.9 -31.7 21.4 26.4 63.6 452 135 B S H ><5S+ 0 0 45 -4,-2.3 3,-1.1 -5,-0.3 -1,-0.3 0.762 99.1 61.0 -69.3 -24.1 20.7 27.9 67.0 453 136 B H T <<5S+ 0 0 71 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.501 104.2 49.5 -79.3 -5.5 21.8 31.3 65.6 454 137 B F T < 5S- 0 0 44 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.088 110.5-119.5-120.5 22.3 19.0 31.0 63.1 455 138 B N T < 5S+ 0 0 128 -3,-1.1 3,-0.4 1,-0.2 -3,-0.2 0.722 72.2 135.1 45.8 27.9 16.3 30.2 65.6 456 139 B D >< + 0 0 11 -5,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.093 23.2 115.2 -90.9 24.0 15.8 26.9 63.7 457 140 B L T 4 S+ 0 0 42 1,-0.2 -1,-0.2 2,-0.2 -5,-0.1 0.535 82.6 47.9 -69.4 -2.6 15.6 24.8 66.9 458 141 B S T 4 S+ 0 0 90 -3,-0.4 -1,-0.2 1,-0.0 -2,-0.1 0.723 104.8 55.0-103.3 -36.0 12.0 24.2 65.8 459 142 B I T 4 S+ 0 0 60 -4,-0.2 -2,-0.2 2,-0.1 2,-0.1 0.782 98.0 82.2 -68.1 -29.2 12.7 23.3 62.2 460 143 B I < - 0 0 5 -4,-1.6 2,-0.2 -9,-0.1 -103,-0.1 -0.379 64.5-175.4 -75.5 154.8 15.2 20.6 63.5 461 144 B D >> - 0 0 33 -2,-0.1 4,-2.2 37,-0.1 3,-0.7 -0.779 43.9 -69.7-140.4-173.9 13.9 17.2 64.7 462 145 B E H 3> S+ 0 0 71 1,-0.2 4,-1.6 -2,-0.2 36,-0.0 0.818 124.5 56.8 -50.7 -37.9 14.8 13.9 66.2 463 146 B H H 3> S+ 0 0 108 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.896 110.5 41.4 -65.0 -40.7 16.8 12.8 63.1 464 147 B V H <> S+ 0 0 0 -3,-0.7 4,-1.7 1,-0.2 3,-0.3 0.934 112.8 51.2 -71.7 -49.8 19.1 15.8 63.1 465 148 B A H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.840 99.7 69.0 -56.9 -35.7 19.7 16.0 66.9 466 149 B R H X S+ 0 0 36 -4,-1.6 4,-2.2 -5,-0.3 5,-0.2 0.943 104.8 38.0 -47.4 -60.6 20.6 12.3 66.8 467 150 B V H X S+ 0 0 3 -4,-1.0 4,-3.0 -3,-0.3 -118,-0.3 0.932 115.0 53.8 -60.1 -48.5 23.8 12.8 64.8 468 151 B L H X S+ 0 0 0 -4,-1.7 4,-2.6 -119,-0.2 5,-0.2 0.913 112.2 45.2 -53.5 -48.1 24.7 16.0 66.6 469 152 B Y H X S+ 0 0 0 -4,-3.2 4,-3.4 2,-0.2 3,-0.3 0.997 113.9 47.1 -56.2 -71.4 24.4 14.3 70.0 470 153 B L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.836 112.3 54.8 -37.4 -42.6 26.3 11.2 69.0 471 154 B G H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 -125,-0.3 0.965 111.4 39.6 -61.0 -56.0 28.9 13.6 67.5 472 155 B I H X S+ 0 0 1 -4,-2.6 4,-1.4 -3,-0.3 7,-0.3 0.957 115.1 57.7 -59.0 -45.6 29.5 15.6 70.7 473 156 B V H ><>S+ 0 0 0 -4,-3.4 5,-3.0 -5,-0.2 3,-0.6 0.913 110.8 39.2 -48.4 -58.4 29.3 12.3 72.6 474 157 B G H ><5S+ 0 0 24 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.931 112.2 55.0 -62.0 -48.0 32.1 10.5 70.7 475 158 B D H 3<5S+ 0 0 35 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.683 121.2 32.1 -61.2 -19.0 34.4 13.6 70.4 476 159 B T T S- 0 0 0 -4,-1.4 4,-2.9 -3,-0.6 5,-2.2 0.275 109.3-117.5-119.4 7.7 34.3 14.0 74.2 477 160 B G T <45S- 0 0 21 -3,-1.4 -3,-0.2 -4,-0.4 -4,-0.1 0.947 84.1 -38.5 53.5 54.8 34.0 10.4 75.2 478 161 B R T 4 - 0 0 27 -2,-0.7 4,-2.2 1,-0.1 5,-0.2 -0.685 44.5-104.2-110.2 167.3 32.5 22.7 78.8 486 169 B P H > S+ 0 0 52 0, 0.0 4,-2.0 0, 0.0 -306,-0.1 0.802 125.0 53.3 -60.6 -26.4 29.4 23.7 80.6 487 170 B H H > S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.929 103.3 56.2 -73.3 -43.1 28.1 24.9 77.3 488 171 B T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.940 108.1 48.2 -52.5 -49.2 28.8 21.5 75.8 489 172 B X H X S+ 0 0 0 -4,-2.2 4,-3.5 1,-0.2 -1,-0.2 0.962 109.3 53.0 -54.8 -52.9 26.6 20.0 78.4 490 173 B E H X S+ 0 0 78 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.870 108.8 49.0 -50.8 -44.1 23.9 22.5 77.7 491 174 B V H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.956 112.2 48.2 -61.8 -47.6 23.9 21.7 74.1 492 175 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.927 109.9 54.6 -56.2 -45.3 23.7 18.0 74.9 493 176 B S H X S+ 0 0 9 -4,-3.5 4,-0.6 1,-0.2 -1,-0.2 0.947 109.0 47.0 -52.4 -52.8 20.9 18.9 77.3 494 177 B Q H >< S+ 0 0 74 -4,-2.8 3,-0.6 1,-0.2 4,-0.5 0.829 108.4 53.9 -61.4 -36.0 19.0 20.6 74.5 495 178 B L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.897 100.4 60.1 -67.0 -41.0 19.5 17.8 72.0 496 179 B L H 3< S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.3 4,-0.2 0.680 87.0 77.0 -60.2 -19.8 18.0 15.1 74.3 497 180 B A T << S+ 0 0 69 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.932 81.9 80.6 -55.4 -44.6 14.8 17.2 74.4 498 181 B Y S < S- 0 0 41 -3,-1.4 2,-0.4 -4,-0.5 3,-0.3 -0.424 97.6-107.1 -66.5 131.4 14.1 15.6 70.9 499 182 B P S S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 -0.421 79.2 106.1 -64.1 115.7 12.7 12.1 71.0 500 183 B F S S- 0 0 30 -2,-0.4 5,-0.3 -4,-0.2 -4,-0.1 0.353 76.0-116.3-165.5 -9.5 15.3 9.5 69.9 501 184 B N > - 0 0 89 -3,-0.3 4,-1.7 -5,-0.2 5,-0.2 0.955 18.0-156.7 60.2 97.2 16.5 7.7 73.1 502 185 B H H > S+ 0 0 14 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.903 88.4 64.4 -68.5 -41.0 20.1 8.3 73.8 503 186 B N H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 108.1 41.6 -49.9 -47.1 20.5 5.1 75.8 504 187 B A H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.992 116.8 45.8 -62.4 -64.6 19.8 3.0 72.7 505 188 B E H X S+ 0 0 24 -4,-1.7 4,-0.8 -5,-0.3 -2,-0.2 0.883 112.5 53.6 -46.1 -47.2 21.9 5.0 70.3 506 189 B L H >X S+ 0 0 1 -4,-3.8 4,-1.4 1,-0.2 3,-0.8 0.923 108.2 48.6 -56.9 -48.5 24.7 5.1 72.8 507 190 B N H >X S+ 0 0 50 -4,-2.0 4,-1.4 -3,-0.3 3,-0.6 0.927 105.7 55.2 -59.1 -50.0 24.8 1.3 73.2 508 191 B K H 3< S+ 0 0 102 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.733 112.2 47.3 -57.2 -18.8 24.9 0.6 69.5 509 192 B X H << S+ 0 0 55 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.747 111.7 49.1 -92.4 -25.3 27.9 2.9 69.5 510 193 B S H << S+ 0 0 35 -4,-1.4 -2,-0.2 -3,-0.6 -3,-0.2 0.483 82.0 127.6 -91.2 -5.8 29.5 1.2 72.5 511 194 B E < - 0 0 97 -4,-1.4 2,-0.3 -5,-0.2 -263,-0.2 -0.056 42.3-159.3 -49.2 154.9 29.1 -2.3 71.1 512 195 B K B -l 248 0E 98 -265,-1.3 -263,-1.9 3,-0.0 -1,-0.1 -0.942 21.4-107.9-138.2 158.2 32.2 -4.5 71.0 513 196 B D >> - 0 0 76 -2,-0.3 3,-1.1 1,-0.2 4,-0.8 -0.791 16.3-154.5 -91.2 116.5 33.4 -7.6 69.1 514 197 B P G >4 S+ 0 0 16 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.803 90.6 73.1 -58.0 -27.1 33.5 -10.7 71.3 515 198 B K G 34 S+ 0 0 151 1,-0.3 4,-0.4 2,-0.2 -2,-0.0 0.896 102.2 38.6 -52.8 -45.9 36.1 -12.0 68.9 516 199 B L G <> S+ 0 0 19 -3,-1.1 4,-2.1 1,-0.2 -1,-0.3 0.619 96.4 85.1 -82.7 -13.6 38.7 -9.6 70.2 517 200 B X H > S+ 0 0 39 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.921 110.1 47.7 -61.7 -45.8 39.7 -13.0 74.6 519 202 B F H >> S+ 0 0 1 -4,-0.4 4,-1.7 1,-0.2 3,-1.3 0.923 105.6 57.8 -59.4 -48.0 42.9 -11.3 73.4 520 203 B Q H 3X S+ 0 0 35 -4,-2.1 4,-1.4 1,-0.3 -1,-0.2 0.772 101.2 58.4 -53.9 -27.8 42.0 -8.2 75.5 521 204 B G H - 0 0 35 5,-2.3 3,-1.0 -2,-0.3 -1,-0.1 -0.216 32.8-106.5 -68.4 166.2 56.4 0.1 87.8 531 214 B D T 3 S+ 0 0 167 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.776 128.6 47.4 -65.0 -22.5 56.7 -0.4 91.5 532 215 B S T 3 S- 0 0 60 3,-0.1 -1,-0.3 35,-0.0 -2,-0.0 0.486 108.4-129.0 -94.4 -8.2 55.2 3.1 91.6 533 216 B H S < S+ 0 0 64 -3,-1.0 36,-0.2 2,-0.2 -2,-0.1 0.374 79.8 113.6 73.0 -2.2 52.4 2.3 89.1 534 217 B E S S+ 0 0 21 34,-0.2 36,-3.3 35,-0.1 35,-2.0 0.784 72.2 47.0 -70.1 -28.7 53.4 5.4 87.1 535 218 B Y E + s 0 570H 3 34,-0.2 -5,-2.3 33,-0.2 2,-0.3 -0.942 62.4 171.3-120.2 139.1 54.6 3.3 84.1 536 219 B C E +Rs 529 571H 0 34,-1.6 36,-2.2 -2,-0.4 2,-0.3 -0.991 2.7 174.4-147.1 135.8 52.9 0.4 82.3 537 220 B Q E - s 0 572H 10 -9,-0.8 2,-0.3 -2,-0.3 36,-0.2 -0.914 16.4-153.4-138.5 164.5 53.7 -1.5 79.0 538 221 B I E - s 0 573H 1 34,-1.1 36,-1.7 -2,-0.3 2,-0.7 -0.927 8.0-153.7-143.6 115.5 52.4 -4.5 77.1 539 222 B K E - s 0 574H 100 -2,-0.3 2,-1.0 -12,-0.2 36,-0.2 -0.795 6.4-165.9 -94.0 112.9 54.6 -6.5 74.7 540 223 B I E - s 0 575H 0 34,-3.0 36,-2.6 -2,-0.7 -2,-0.0 -0.776 14.7-160.5 -99.7 90.2 52.5 -8.2 72.0 541 224 B T > - 0 0 45 -2,-1.0 4,-1.7 34,-0.2 3,-0.3 -0.283 32.2-108.9 -67.3 153.1 54.8 -10.8 70.5 542 225 B N H > S+ 0 0 63 1,-0.2 4,-0.9 2,-0.2 5,-0.2 0.850 117.3 64.3 -52.5 -32.2 54.1 -12.2 67.0 543 226 B D H >> S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 3,-1.7 0.963 103.1 43.0 -55.5 -58.5 53.3 -15.4 68.8 544 227 B V H 3> S+ 0 0 5 -3,-0.3 4,-2.1 1,-0.3 -1,-0.2 0.820 104.9 67.2 -59.4 -30.1 50.3 -14.1 70.7 545 228 B L H 3<>S+ 0 0 2 -4,-1.7 5,-2.7 1,-0.2 -1,-0.3 0.771 115.6 27.0 -62.2 -24.1 49.2 -12.3 67.5 546 229 B K H <<5S+ 0 0 103 -3,-1.7 -2,-0.2 -4,-0.9 -1,-0.2 0.604 111.7 67.0-110.3 -19.5 48.6 -15.7 66.0 547 230 B Q H <5S+ 0 0 131 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.851 116.5 30.3 -66.7 -36.4 47.8 -17.5 69.2 548 231 B F T <5S- 0 0 35 -4,-2.1 -1,-0.2 -5,-0.2 -29,-0.2 0.329 113.1-125.2-102.1 3.3 44.7 -15.4 69.4 549 232 B D T 5 + 0 0 126 1,-0.2 2,-0.3 -5,-0.1 -3,-0.2 0.963 58.4 138.2 47.9 76.3 44.4 -15.1 65.7 550 233 B I < - 0 0 5 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.994 53.3-112.3-147.7 143.4 44.3 -11.3 65.2 551 234 B Q > - 0 0 102 -2,-0.3 4,-2.1 1,-0.1 5,-0.3 -0.372 31.4-114.3 -73.3 154.4 45.9 -8.9 62.8 552 235 B P H > S+ 0 0 28 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.853 117.7 53.8 -56.7 -34.3 48.6 -6.5 64.1 553 236 B N H >4 S+ 0 0 112 2,-0.2 3,-0.6 1,-0.2 4,-0.3 0.983 106.5 49.3 -63.8 -56.4 46.2 -3.6 63.4 554 237 B E H >4 S+ 0 0 80 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.896 110.9 48.5 -49.0 -51.9 43.3 -5.0 65.3 555 238 B A H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.819 99.6 69.8 -61.2 -30.5 45.4 -5.7 68.5 556 239 B S T << S+ 0 0 1 -4,-1.3 -1,-0.3 -3,-0.6 3,-0.3 0.501 84.4 70.4 -67.0 -3.9 46.8 -2.2 68.3 557 240 B Q T < S+ 0 0 124 -3,-1.7 2,-0.5 -4,-0.3 3,-0.3 0.537 80.0 77.5 -90.8 -6.4 43.4 -0.7 69.2 558 241 B F X + 0 0 16 -3,-1.8 3,-0.6 1,-0.2 -1,-0.2 -0.240 57.6 116.4 -95.2 47.4 43.7 -2.0 72.7 559 242 B V G > S+ 0 0 4 -2,-0.5 3,-0.8 -3,-0.3 2,-0.6 0.980 73.4 47.5 -78.0 -55.3 46.1 0.7 73.8 560 243 B N G 3 S+ 0 0 76 -3,-0.3 4,-0.3 1,-0.3 -1,-0.2 0.064 79.9 106.0 -74.7 29.9 43.9 2.4 76.4 561 244 B T G < S+ 0 0 29 -3,-0.6 -1,-0.3 -2,-0.6 -2,-0.1 0.474 90.1 34.1 -88.1 1.5 43.1 -1.0 77.9 562 245 B V S X S+ 0 0 1 -3,-0.8 3,-1.7 -26,-0.1 -1,-0.2 0.332 88.6 101.4-130.5 -1.6 45.4 -0.2 80.9 563 246 B A T 3 S+ 0 0 10 1,-0.3 -2,-0.1 -4,-0.1 5,-0.1 0.776 73.7 62.3 -57.4 -32.8 44.8 3.6 81.1 564 247 B D T 3 S+ 0 0 62 -4,-0.3 -369,-1.3 -370,-0.1 -1,-0.3 0.481 71.9 126.4 -76.7 -1.8 42.4 3.3 84.0 565 248 B I B X S-f 195 0C 4 -3,-1.7 3,-1.5 -371,-0.2 2,-0.4 -0.326 74.0-100.7 -59.6 137.4 45.0 1.8 86.4 566 249 B S T 3 S+ 0 0 31 -371,-1.8 -1,-0.1 1,-0.3 3,-0.1 -0.432 102.9 4.9 -65.0 116.3 45.2 3.8 89.6 567 250 B G T 3 S+ 0 0 37 -2,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.293 85.7 152.6 95.6 -10.1 48.2 6.1 89.5 568 251 B L < + 0 0 5 -3,-1.5 -1,-0.3 1,-0.2 -34,-0.2 -0.333 11.4 166.9 -58.9 127.5 49.2 5.4 85.9 569 252 B K + 0 0 72 -35,-2.0 19,-4.3 1,-0.3 20,-0.5 0.701 64.0 16.5-111.9 -35.2 51.0 8.3 84.4 570 253 B I E +sT 535 587H 0 -36,-3.3 -34,-1.6 17,-0.3 2,-0.4 -0.992 63.4 176.6-147.3 136.9 52.6 6.9 81.3 571 254 B W E -sT 536 586H 11 15,-2.9 15,-2.4 -2,-0.4 2,-0.4 -0.994 11.1-160.4-143.8 145.4 52.0 3.8 79.3 572 255 B X E -sT 537 585H 0 -36,-2.2 -34,-1.1 -2,-0.4 2,-0.5 -0.970 2.3-162.7-128.9 142.5 53.2 2.2 76.1 573 256 B F E -sT 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