==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 01-AUG-13 4M0M . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR K.TAN,H.LI,S.CLANCY,H.SHUMAN,A.JOACHIMIAK,MIDWEST CENTER FOR . 721 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 508 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 1 0.1 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 . 34 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 319 44.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 1 0 1 0 2 1 1 3 1 1 1 3 3 3 0 1 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 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 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 10 A E 0 0 206 0, 0.0 120,-0.2 0, 0.0 119,-0.1 0.000 360.0 360.0 360.0 -24.9 35.6 35.8 144.9 2 11 A Q - 0 0 85 118,-2.1 39,-0.1 117,-0.1 115,-0.0 -0.314 360.0-155.1 -79.9 163.6 32.6 35.0 147.1 3 12 A K + 0 0 153 37,-0.3 2,-0.5 -2,-0.1 118,-0.1 -0.313 24.5 161.4-138.5 51.5 32.7 33.0 150.4 4 13 A V + 0 0 11 113,-0.2 37,-0.2 1,-0.2 38,-0.2 -0.670 2.2 164.8 -79.8 120.7 29.3 31.4 151.1 5 14 A K + 0 0 105 36,-2.6 122,-2.1 -2,-0.5 123,-2.1 0.726 62.5 39.8-103.0 -32.0 29.7 28.6 153.6 6 15 A T E -ab 42 128A 8 35,-2.3 37,-2.9 121,-0.2 2,-0.5 -0.978 58.8-169.0-134.3 127.1 26.1 28.1 154.7 7 16 A V E -ab 43 129A 1 121,-2.7 123,-3.3 -2,-0.4 2,-0.5 -0.968 6.4-166.3-120.3 128.0 22.9 28.1 152.7 8 17 A T E -ab 44 130A 0 35,-2.7 37,-2.6 -2,-0.5 2,-0.5 -0.949 3.5-172.4-121.8 119.6 19.4 28.0 154.3 9 18 A L E -ab 45 131A 4 121,-3.2 123,-3.0 -2,-0.5 2,-0.4 -0.939 3.7-164.6-117.1 130.0 16.2 27.3 152.4 10 19 A S E -ab 46 132A 0 35,-2.4 37,-2.9 -2,-0.5 2,-0.5 -0.947 1.5-165.5-116.1 132.6 12.7 27.6 153.8 11 20 A F E -ab 47 133A 1 121,-2.8 123,-1.4 -2,-0.4 37,-0.2 -0.966 12.8-142.1-121.4 120.2 9.6 26.1 152.2 12 21 A L - 0 0 0 35,-2.2 3,-0.1 -2,-0.5 2,-0.1 -0.237 27.6 -98.0 -75.1 169.4 6.1 27.2 153.2 13 22 A G > - 0 0 0 1,-0.2 3,-2.4 36,-0.2 36,-0.2 -0.255 57.5 -54.1 -86.3 172.5 3.2 24.8 153.5 14 23 A T T 3 S+ 0 0 59 1,-0.3 -1,-0.2 35,-0.1 37,-0.2 -0.135 124.2 0.4 -48.9 129.3 0.4 23.9 151.1 15 24 A G T 3 S+ 0 0 46 35,-2.1 2,-0.6 1,-0.2 38,-0.3 0.526 99.9 131.6 71.1 6.1 -1.5 27.0 150.0 16 25 A Q < - 0 0 22 -3,-2.4 33,-2.7 34,-0.2 2,-0.4 -0.824 34.4-173.8 -99.0 121.4 0.7 29.3 152.1 17 26 A H >> - 0 0 0 -2,-0.6 4,-2.3 31,-0.2 3,-2.2 -0.907 32.8-124.6-116.1 144.1 2.2 32.4 150.4 18 27 A R T 34 S+ 0 0 72 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.640 110.3 56.6 -58.8 -17.5 4.8 34.8 151.9 19 28 A E T 34 S+ 0 0 74 42,-0.1 -1,-0.3 34,-0.1 3,-0.1 0.618 119.2 28.4 -87.9 -13.7 2.4 37.7 151.3 20 29 A K T <4 S+ 0 0 115 -3,-2.2 2,-0.4 1,-0.1 -2,-0.2 0.632 111.2 62.7-120.0 -23.6 -0.5 36.2 153.3 21 30 A V < + 0 0 36 -4,-2.3 2,-0.3 2,-0.0 -1,-0.1 -0.848 47.6 179.1-116.2 143.1 1.0 34.0 156.0 22 31 A H + 0 0 42 -2,-0.4 2,-0.2 -3,-0.1 -4,-0.0 -0.938 28.8 116.2-141.6 120.1 3.3 34.7 159.0 23 32 A H S > S- 0 0 4 -2,-0.3 4,-2.8 208,-0.0 3,-0.4 -0.828 76.1 -43.4-158.4-162.7 4.4 32.0 161.4 24 33 A I H > S+ 0 0 7 206,-2.0 4,-2.4 -2,-0.2 5,-0.2 0.852 129.1 48.5 -46.8 -43.6 7.5 30.2 162.8 25 34 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 114.7 41.8 -70.3 -42.2 9.1 29.7 159.3 26 35 A T H > S+ 0 0 6 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.879 113.6 55.8 -70.9 -33.8 8.7 33.2 158.1 27 36 A S H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.935 111.5 41.9 -61.9 -47.2 9.8 34.5 161.5 28 37 A F H X S+ 0 0 0 -4,-2.4 4,-3.3 -5,-0.2 5,-0.3 0.915 113.9 51.6 -66.2 -43.5 13.0 32.5 161.4 29 38 A H H X S+ 0 0 27 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.955 112.1 47.0 -59.6 -47.8 13.8 33.3 157.8 30 39 A N H X S+ 0 0 86 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.869 116.0 44.2 -59.8 -41.2 13.3 37.0 158.5 31 40 A T H X S+ 0 0 16 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.925 111.5 52.6 -70.0 -46.6 15.4 36.9 161.6 32 41 A I H X S+ 0 0 1 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.904 111.3 49.1 -53.7 -40.4 18.1 34.8 160.0 33 42 A S H < S+ 0 0 50 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.914 113.4 44.2 -69.8 -43.1 18.2 37.4 157.2 34 43 A E H >< S+ 0 0 93 -4,-1.9 3,-1.3 1,-0.2 4,-0.2 0.900 112.6 51.6 -68.0 -41.5 18.5 40.4 159.5 35 44 A V H 3< S+ 0 0 48 -4,-3.1 3,-0.3 1,-0.3 -1,-0.2 0.864 117.7 38.5 -65.3 -36.2 21.1 38.8 161.8 36 45 A N T >< S+ 0 0 15 -4,-1.7 3,-2.0 -5,-0.3 -1,-0.3 0.072 78.5 116.7-100.7 20.6 23.4 37.9 158.8 37 46 A K T < S+ 0 0 132 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.770 88.0 35.6 -65.0 -23.7 22.8 41.1 156.8 38 47 A D T 3 S+ 0 0 142 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.007 101.5 91.5-113.0 24.7 26.4 41.9 157.2 39 48 A N X - 0 0 52 -3,-2.0 3,-1.4 3,-0.1 -1,-0.1 -0.856 48.6-177.3-125.8 97.4 27.6 38.3 156.9 40 49 A P T 3 S+ 0 0 96 0, 0.0 -37,-0.3 0, 0.0 -1,-0.1 0.497 75.2 74.3 -74.4 -2.2 28.4 37.2 153.4 41 50 A T T 3 S+ 0 0 51 -37,-0.2 -36,-2.6 -36,-0.1 -35,-2.3 0.521 91.6 63.3 -86.4 -4.5 29.2 33.6 154.5 42 51 A V E < -a 6 0A 14 -3,-1.4 2,-0.4 -6,-0.2 -35,-0.2 -0.980 62.5-176.2-124.4 129.2 25.5 32.8 155.0 43 52 A A E -a 7 0A 16 -37,-2.9 -35,-2.7 -2,-0.4 2,-0.3 -0.949 5.3-173.8-124.5 143.3 22.9 32.9 152.2 44 53 A X E -a 8 0A 38 -2,-0.4 2,-0.3 -37,-0.2 -35,-0.2 -0.991 6.6-173.3-142.6 148.4 19.2 32.3 152.7 45 54 A R E -a 9 0A 30 -37,-2.6 -35,-2.4 -2,-0.3 2,-0.4 -1.000 13.1-145.5-146.4 140.3 16.1 31.9 150.5 46 55 A X E -a 10 0A 8 -2,-0.3 2,-0.4 -37,-0.2 -35,-0.2 -0.845 12.3-162.3-106.0 135.4 12.3 31.6 151.0 47 56 A F E -a 11 0A 0 -37,-2.9 -35,-2.2 -2,-0.4 2,-0.1 -0.960 17.3-127.9-118.6 137.5 10.0 29.5 148.9 48 57 A D - 0 0 0 -2,-0.4 -31,-0.2 -37,-0.2 3,-0.1 -0.402 38.2 -93.9 -77.2 158.8 6.3 29.8 148.7 49 58 A G > - 0 0 0 -33,-2.7 3,-1.9 -36,-0.2 2,-0.2 -0.338 42.3 -90.9 -77.5 154.1 4.1 26.8 149.2 50 59 A P T 3 S+ 0 0 2 0, 0.0 -35,-2.1 0, 0.0 -34,-0.2 -0.463 115.4 17.0 -59.7 124.5 2.7 24.5 146.5 51 60 A G T 3 S+ 0 0 61 50,-0.4 2,-0.2 1,-0.3 -34,-0.1 0.551 97.9 128.5 89.3 8.4 -0.7 25.8 145.5 52 61 A S < - 0 0 2 -3,-1.9 -1,-0.3 -36,-0.2 -36,-0.1 -0.487 37.8-164.9 -89.2 165.6 -0.2 29.2 147.0 53 62 A E - 0 0 109 -38,-0.3 -36,-0.1 -2,-0.2 -34,-0.1 -0.995 20.2-110.1-149.0 150.4 -0.7 32.5 145.2 54 63 A P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 9,-0.1 -0.144 36.3-104.8 -69.9 174.7 0.3 36.1 145.8 55 64 A K S S+ 0 0 109 1,-0.2 2,-0.3 2,-0.0 -38,-0.0 0.729 104.0 16.8 -71.2 -23.5 -2.2 38.9 146.7 56 65 A S S > S- 0 0 66 1,-0.0 3,-1.7 0, 0.0 -1,-0.2 -0.994 73.2-120.4-148.9 153.0 -2.0 40.2 143.1 57 66 A G T 3 S+ 0 0 78 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.541 108.8 71.1 -68.6 -6.7 -0.8 39.0 139.7 58 67 A D T 3 S+ 0 0 148 3,-0.1 -1,-0.3 4,-0.0 -3,-0.0 0.559 76.0 119.7 -82.7 -11.1 1.7 42.0 139.8 59 68 A S < - 0 0 25 -3,-1.7 0, 0.0 1,-0.1 0, 0.0 -0.123 67.5-136.1 -63.3 150.9 3.8 40.3 142.5 60 69 A K S S+ 0 0 93 1,-0.2 16,-0.3 2,-0.0 -1,-0.1 0.539 99.7 62.2 -79.8 -7.5 7.4 39.4 142.1 61 70 A D S S- 0 0 23 14,-0.1 -1,-0.2 -14,-0.0 -42,-0.1 -0.639 77.0-178.2-121.1 76.2 6.6 36.0 143.7 62 71 A P - 0 0 14 0, 0.0 -14,-0.2 0, 0.0 5,-0.1 -0.032 42.3 -61.1 -70.1 171.0 4.1 34.2 141.4 63 72 A I > - 0 0 60 1,-0.1 3,-2.1 3,-0.1 4,-0.2 -0.244 64.0 -99.6 -50.5 130.1 2.5 30.8 141.9 64 73 A P T 3 S+ 0 0 7 0, 0.0 -13,-0.3 0, 0.0 -1,-0.1 -0.348 111.8 28.5 -52.2 129.5 5.0 27.9 142.2 65 74 A G T 3 S+ 0 0 9 2,-0.3 37,-0.1 37,-0.2 23,-0.1 0.316 103.4 81.3 98.2 -7.7 5.1 26.2 138.8 66 75 A T S < S+ 0 0 50 -3,-2.1 13,-2.3 -4,-0.1 2,-0.3 0.270 90.8 48.0-112.6 9.3 4.2 29.3 136.8 67 76 A Y E -F 78 0B 9 11,-0.3 2,-0.4 -4,-0.2 -2,-0.3 -0.962 64.4-138.3-143.0 161.2 7.6 30.8 136.7 68 77 A I E -F 77 0B 3 9,-2.6 9,-3.1 -2,-0.3 2,-0.5 -0.962 28.7-124.3-118.0 142.1 11.3 30.1 136.0 69 78 A Y E -F 76 0B 7 -2,-0.4 7,-0.2 7,-0.2 5,-0.0 -0.739 14.3-160.3 -92.2 126.5 14.0 31.5 138.2 70 79 A N E >>> -F 75 0B 13 5,-3.6 5,-1.8 -2,-0.5 4,-0.7 -0.879 3.0-170.4-102.6 104.0 16.8 33.6 136.8 71 80 A P T 345S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.740 77.5 73.1 -64.1 -23.3 19.8 33.7 139.2 72 81 A K T 345S+ 0 0 88 1,-0.2 577,-0.0 3,-0.1 -2,-0.0 0.879 121.0 9.4 -63.8 -42.5 21.6 36.4 137.2 73 82 A D T <45S- 0 0 105 -3,-0.7 -1,-0.2 2,-0.1 -3,-0.0 0.179 104.2-115.5-121.1 17.9 19.2 39.1 138.3 74 83 A N T <5 + 0 0 96 -4,-0.7 2,-0.3 1,-0.2 -2,-0.1 0.905 67.7 143.7 52.4 48.8 17.3 37.1 141.0 75 84 A S E < -F 70 0B 34 -5,-1.8 -5,-3.6 -14,-0.0 2,-0.5 -0.869 50.2-134.9-120.9 153.5 14.1 37.4 139.1 76 85 A K E -F 69 0B 32 -2,-0.3 2,-0.5 -16,-0.3 -7,-0.2 -0.933 21.6-157.0-106.5 124.5 11.1 35.1 138.5 77 86 A I E -F 68 0B 49 -9,-3.1 -9,-2.6 -2,-0.5 2,-0.0 -0.887 18.8-120.0-107.7 126.4 9.9 34.9 134.9 78 87 A L E -F 67 0B 118 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.3 -0.345 33.5-162.9 -63.5 139.1 6.4 33.9 134.0 79 88 A I - 0 0 22 -13,-2.3 -1,-0.0 -2,-0.0 0, 0.0 -0.915 19.9-110.0-126.9 155.6 6.1 30.8 131.8 80 89 A S > - 0 0 52 -2,-0.3 4,-2.1 1,-0.1 3,-0.1 -0.334 36.3-110.4 -72.1 160.5 3.5 29.2 129.6 81 90 A P H > S+ 0 0 96 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.879 117.0 58.0 -63.0 -37.4 2.0 25.9 130.8 82 91 A V H > S+ 0 0 93 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.892 109.7 44.4 -61.8 -38.7 3.7 23.9 128.0 83 92 A I H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 111.7 54.9 -66.2 -40.9 7.1 25.2 129.2 84 93 A S H X S+ 0 0 21 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.906 107.9 47.5 -60.4 -41.8 5.9 24.4 132.8 85 94 A Q H X S+ 0 0 131 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.797 110.0 55.2 -69.4 -28.6 5.1 20.8 131.9 86 95 A T H X S+ 0 0 68 -4,-1.2 4,-2.0 -5,-0.2 -2,-0.2 0.924 107.8 46.5 -69.4 -46.4 8.4 20.5 130.2 87 96 A I H X S+ 0 0 7 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.875 111.3 54.0 -61.3 -40.4 10.4 21.6 133.3 88 97 A T H X S+ 0 0 26 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.948 108.0 48.8 -58.5 -50.5 8.3 19.2 135.3 89 98 A N H X S+ 0 0 86 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.894 108.8 53.3 -59.1 -41.0 9.1 16.3 133.1 90 99 A A H X S+ 0 0 17 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.897 108.9 48.0 -65.7 -41.5 12.8 17.0 133.1 91 100 A I H X S+ 0 0 1 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.905 109.0 55.2 -65.7 -38.8 13.0 17.1 136.9 92 101 A Q H X S+ 0 0 51 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.846 105.3 51.9 -60.9 -38.9 11.1 13.8 137.0 93 102 A K H < S+ 0 0 142 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.919 114.2 45.3 -62.8 -41.8 13.6 12.1 134.8 94 103 A L H < S+ 0 0 10 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.1 0.974 122.7 32.1 -63.7 -56.5 16.3 13.3 137.2 95 104 A T H < S- 0 0 12 -4,-3.2 -3,-0.2 2,-0.2 -2,-0.2 0.792 97.0-133.2 -76.4 -30.1 14.7 12.4 140.5 96 105 A G S < S+ 0 0 66 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.1 0.426 75.8 77.6 89.2 -0.2 12.9 9.3 139.2 97 106 A N S S- 0 0 22 -6,-0.2 2,-0.6 -5,-0.1 -2,-0.2 -0.997 72.7-127.6-143.9 149.1 9.6 10.2 140.8 98 107 A L + 0 0 69 -2,-0.3 -9,-0.0 1,-0.2 75,-0.0 -0.850 27.2 166.0-101.9 119.0 6.7 12.7 140.2 99 108 A A - 0 0 3 -2,-0.6 -1,-0.2 1,-0.1 68,-0.1 0.871 25.9-175.4 -93.3 -49.9 5.7 14.9 143.1 100 109 A G > + 0 0 20 1,-0.1 3,-2.0 -12,-0.1 4,-0.1 -0.265 48.1 95.4 83.5-172.6 3.5 17.4 141.2 101 110 A E T 3 S- 0 0 81 1,-0.3 -50,-0.4 2,-0.1 -1,-0.1 0.552 120.8 -63.3 65.5 9.8 1.8 20.5 142.5 102 111 A G T 3> S+ 0 0 11 -52,-0.1 4,-1.2 -37,-0.1 3,-0.4 0.472 105.2 126.0 92.9 3.6 4.7 22.6 141.3 103 112 A I H X> + 0 0 0 -3,-2.0 4,-2.2 1,-0.2 3,-0.7 0.916 67.7 59.3 -61.2 -42.0 7.1 20.9 143.6 104 113 A E H 3> S+ 0 0 2 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.862 104.0 52.2 -54.0 -36.5 9.4 20.1 140.7 105 114 A H H 3> S+ 0 0 11 -3,-0.4 4,-2.6 2,-0.2 -1,-0.3 0.814 105.4 53.8 -73.7 -26.7 9.7 23.8 140.0 106 115 A L H S+ 0 0 14 -4,-2.7 5,-2.3 1,-0.2 6,-1.0 0.890 111.0 48.5 -56.9 -42.9 28.8 27.6 143.9 119 128 A E H ><5S+ 0 0 80 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.889 108.9 52.7 -68.8 -36.1 29.9 29.5 140.7 120 129 A K H 3<5S+ 0 0 59 -4,-2.4 -118,-2.1 1,-0.3 -1,-0.2 0.813 103.1 59.2 -67.5 -27.9 30.1 32.8 142.6 121 130 A N T 3<5S- 0 0 14 -4,-1.9 -1,-0.3 3,-0.2 -2,-0.2 0.324 128.3-104.0 -74.7 6.7 32.3 30.9 145.1 122 131 A G T < 5S- 0 0 51 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.2 0.845 80.0 -45.7 71.2 32.0 34.6 30.3 142.1 123 132 A G S - c 0 162A 3 -123,-1.4 3,-2.0 -2,-0.3 29,-0.2 -0.996 66.9 -37.0-125.1 135.3 6.2 22.8 157.0 135 144 A S T >> S- 0 0 3 27,-2.6 4,-1.5 -2,-0.4 3,-0.7 -0.282 135.5 -0.1 61.1-128.7 3.6 20.4 155.5 136 145 A R H 3> S+ 0 0 26 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.805 133.3 63.7 -64.1 -27.5 4.1 19.9 151.7 137 146 A G H <> S+ 0 0 0 -3,-2.0 4,-1.5 2,-0.2 -2,-0.3 0.865 101.9 48.5 -58.6 -38.7 7.0 22.4 152.2 138 147 A A H <> S+ 0 0 0 -3,-0.7 4,-2.0 24,-0.3 -2,-0.2 0.818 107.3 54.8 -73.3 -32.7 8.7 19.8 154.4 139 148 A D H X S+ 0 0 0 -4,-1.5 4,-2.4 26,-0.2 -2,-0.2 0.894 106.5 51.7 -61.6 -42.4 8.1 17.0 151.8 140 149 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.888 105.7 57.0 -61.7 -38.4 9.9 19.3 149.3 141 150 A C H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.940 107.7 45.8 -55.7 -51.8 12.7 19.5 151.9 142 151 A X H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.929 112.9 49.7 -58.7 -48.6 13.1 15.7 151.9 143 152 A R H X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.877 112.3 49.8 -58.0 -36.8 13.0 15.5 148.1 144 153 A X H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.870 106.4 54.1 -70.2 -38.3 15.6 18.3 148.1 145 154 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.924 111.0 47.3 -60.0 -42.5 17.8 16.4 150.5 146 155 A N H X S+ 0 0 13 -4,-2.3 4,-1.3 29,-0.3 -2,-0.2 0.832 110.4 50.2 -70.1 -32.7 17.7 13.4 148.2 147 156 A L H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.875 108.6 54.2 -70.7 -36.8 18.4 15.5 145.1 148 157 A L H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 7,-0.3 0.862 107.4 49.5 -63.3 -37.0 21.4 17.1 146.9 149 158 A Y H < S+ 0 0 65 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.850 113.7 48.1 -71.9 -31.2 22.8 13.7 147.7 150 159 A Q H < S+ 0 0 33 -4,-1.3 -2,-0.2 2,-0.2 482,-0.2 0.857 126.1 24.4 -73.5 -41.3 22.3 12.8 144.0 151 160 A L H < S+ 0 0 2 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.810 138.6 17.3 -98.4 -33.8 23.9 15.9 142.5 152 161 A Y >< + 0 0 12 -4,-2.7 3,-2.1 -5,-0.3 -1,-0.2 -0.511 62.4 170.7-140.3 67.6 26.3 17.1 145.2 153 162 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.718 73.1 66.0 -59.6 -22.1 27.0 14.4 147.8 154 163 A D T 3 S+ 0 0 71 -6,-0.1 2,-0.4 2,-0.1 -5,-0.1 0.582 78.8 97.3 -78.1 -9.5 29.8 16.4 149.5 155 164 A I S < S- 0 0 1 -3,-2.1 2,-0.4 -7,-0.3 -27,-0.2 -0.641 76.4-129.1 -77.7 133.2 27.4 19.1 150.8 156 165 A K E -c 128 0A 106 -29,-2.5 -27,-2.9 -2,-0.4 2,-0.4 -0.701 26.2-158.0 -81.2 131.9 26.3 18.5 154.4 157 166 A V E -cd 129 183A 0 25,-2.4 27,-2.4 -2,-0.4 28,-0.5 -0.908 11.6-171.0-115.3 137.5 22.5 18.7 154.7 158 167 A N E -c 130 0A 6 -29,-1.9 -27,-3.0 -2,-0.4 2,-0.4 -0.976 8.4-159.1-122.5 144.0 20.4 19.5 157.8 159 168 A L E -cd 131 186A 0 26,-2.7 28,-3.0 -2,-0.4 2,-0.5 -0.980 15.8-179.6-129.8 126.6 16.6 19.1 157.9 160 169 A F E -cd 132 187A 0 -29,-2.5 -27,-2.1 -2,-0.4 2,-0.4 -0.950 22.1-175.4-122.0 105.8 14.1 20.7 160.3 161 170 A L E -cd 133 188A 0 26,-3.3 28,-2.8 -2,-0.5 2,-0.5 -0.866 17.4-158.1-111.0 135.1 10.6 19.5 159.3 162 171 A I E S-cd 134 189A 0 -29,-2.9 -27,-2.6 -2,-0.4 -24,-0.3 -0.947 75.1 -30.1-112.4 121.7 7.2 20.4 160.7 163 172 A D S S- 0 0 0 26,-2.7 2,-0.5 -2,-0.5 -28,-0.3 0.896 76.0-146.4 36.5 69.5 4.3 17.9 160.2 164 173 A Q + 0 0 0 25,-0.3 38,-1.5 38,-0.1 -1,-0.2 -0.485 24.5 175.2 -65.7 113.5 5.6 16.5 156.9 165 174 A V - 0 0 2 -2,-0.5 -26,-0.2 -30,-0.4 -27,-0.1 -0.950 15.8-151.5-124.3 109.6 2.6 15.6 154.8 166 175 A P - 0 0 7 0, 0.0 5,-0.2 0, 0.0 3,-0.1 -0.343 32.6 -86.0 -73.4 160.1 3.3 14.3 151.2 167 176 A G > - 0 0 4 3,-0.2 3,-2.6 1,-0.2 4,-0.3 -0.059 66.5 -65.7 -55.0 163.6 0.8 14.7 148.3 168 177 A P T 3 S- 0 0 111 0, 0.0 -1,-0.2 0, 0.0 31,-0.0 -0.385 126.4 -0.1 -58.9 121.7 -2.0 12.2 147.8 169 178 A G T 3 S+ 0 0 75 -2,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.692 108.3 105.2 66.8 20.3 -0.4 8.9 146.9 170 179 A K X + 0 0 59 -3,-2.6 3,-1.1 1,-0.1 -3,-0.2 0.388 49.2 90.3-107.5 3.6 3.0 10.6 147.1 171 180 A R T 3 S+ 0 0 51 -4,-0.3 -1,-0.1 1,-0.3 5,-0.1 0.724 80.8 57.2 -75.4 -26.2 4.0 9.0 150.5 172 181 A D T 3 S+ 0 0 98 -3,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.262 75.0 118.8 -92.5 11.4 5.6 5.9 148.9 173 182 A D X> - 0 0 22 -3,-1.1 3,-2.8 1,-0.1 4,-1.0 -0.684 66.4-136.9 -73.2 124.7 8.1 8.0 146.8 174 183 A P H >> S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 3,-0.8 0.883 105.3 55.7 -51.2 -40.2 11.6 7.0 148.0 175 184 A H H 34 S+ 0 0 28 1,-0.2 -29,-0.3 2,-0.2 -30,-0.2 0.524 102.6 58.2 -72.6 -3.5 12.6 10.7 148.0 176 185 A S H <4 S+ 0 0 0 -3,-2.8 -1,-0.2 -34,-0.1 -34,-0.1 0.751 120.8 21.7 -91.5 -28.9 9.7 11.4 150.3 177 186 A Y H << S+ 0 0 11 -4,-1.0 31,-2.4 -3,-0.8 2,-0.4 0.527 96.8 101.0-117.3 -8.6 10.8 9.1 153.1 178 187 A T E < -g 208 0C 29 -4,-2.0 31,-0.2 -5,-0.2 -32,-0.1 -0.675 50.5-159.3 -90.3 127.9 14.6 8.5 152.7 179 188 A V E -g 209 0C 0 29,-3.4 31,-2.6 -2,-0.4 32,-0.4 -0.900 25.8-147.2-100.8 103.8 17.1 10.3 154.9 180 189 A P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 31,-0.2 -0.185 22.8-103.6 -77.3 168.1 20.3 10.1 152.8 181 190 A P T 3 S+ 0 0 52 0, 0.0 28,-0.0 0, 0.0 -2,-0.0 0.481 113.0 73.0 -73.8 -2.0 23.9 9.9 154.2 182 191 A N T 3 S+ 0 0 13 -37,-0.1 -25,-2.4 -26,-0.1 2,-0.4 0.592 78.2 102.4 -78.2 -10.5 24.6 13.5 153.4 183 192 A V E < +d 157 0A 4 -3,-1.7 -25,-0.2 -27,-0.2 3,-0.2 -0.609 41.1 171.7 -81.9 123.0 22.3 14.4 156.3 184 193 A E E S+ 0 0 31 -27,-2.4 32,-3.5 -2,-0.4 2,-0.6 0.913 73.9 25.9 -88.8 -59.4 23.9 15.4 159.7 185 194 A H E - e 0 216A 56 -28,-0.5 -26,-2.7 30,-0.2 2,-0.6 -0.937 66.4-175.9-112.4 116.8 21.0 16.6 161.7 186 195 A F E +de 159 217A 1 30,-3.2 32,-2.6 -2,-0.6 2,-0.5 -0.923 8.0 172.3-111.9 111.0 17.5 15.2 160.9 187 196 A E E +de 160 218A 23 -28,-3.0 -26,-3.3 -2,-0.6 2,-0.4 -0.975 2.1 172.1-121.7 127.7 14.6 16.7 162.9 188 197 A S E -de 161 219A 0 30,-2.6 32,-1.7 -2,-0.5 2,-0.4 -0.974 13.6-159.3-137.5 120.1 11.0 16.0 162.2 189 198 A T E -de 162 220A 0 -28,-2.8 -26,-2.7 -2,-0.4 2,-0.4 -0.836 7.7-160.8-107.6 134.6 8.0 17.1 164.4 190 199 A L E - 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0 0 13 -5,-0.1 2,-0.3 -11,-0.1 3,-0.0 -0.777 60.1-154.7 -95.1 124.9 20.4 5.5 195.4 360 369 A K >> - 0 0 132 -2,-0.5 4,-1.6 1,-0.1 3,-1.0 -0.731 23.2-124.3 -94.1 144.4 19.2 5.7 199.0 361 370 A K H 3> S+ 0 0 62 -2,-0.3 4,-2.3 1,-0.3 3,-0.4 0.899 112.5 55.1 -48.0 -46.6 15.5 5.6 199.9 362 371 A E H 3> S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.787 103.4 54.7 -63.2 -30.8 15.9 8.9 201.7 363 372 A E H <> S+ 0 0 68 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.853 109.1 47.4 -71.6 -38.0 17.3 10.6 198.7 364 373 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.4 -2,-0.2 0.886 110.6 52.8 -65.4 -42.7 14.3 9.6 196.6 365 374 A I H X S+ 0 0 23 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.900 106.9 51.9 -63.7 -39.9 11.9 10.8 199.3 366 375 A V H X S+ 0 0 100 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.939 111.4 47.5 -62.0 -44.6 13.6 14.2 199.4 367 376 A E H X S+ 0 0 30 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.915 113.2 47.7 -59.2 -48.5 13.2 14.5 195.6 368 377 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.909 109.1 53.1 -60.2 -46.4 9.5 13.5 195.8 369 378 A K H X S+ 0 0 118 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.889 111.7 46.9 -55.9 -41.4 8.7 15.8 198.6 370 379 A S H X S+ 0 0 66 -4,-1.8 4,-0.5 -5,-0.2 3,-0.5 0.911 111.5 50.5 -68.3 -43.1 10.2 18.7 196.6 371 380 A L H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 6,-0.3 0.932 107.6 53.7 -58.9 -44.9 8.3 17.6 193.5 372 381 A S H 3< S+ 0 0 21 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.727 109.3 48.4 -66.2 -22.4 5.0 17.5 195.4 373 382 A E H 3< S+ 0 0 159 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.448 86.6 104.6 -96.6 -2.8 5.5 21.1 196.7 374 383 A D X< - 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0 0 13 -5,-2.4 2,-0.8 -6,-0.1 -1,-0.2 -0.855 37.7-133.9-103.3 134.0 2.2 6.8 196.7 391 400 A N > - 0 0 81 3,-0.5 3,-3.0 -2,-0.4 7,-0.2 -0.784 7.9-151.0 -87.6 109.2 0.2 8.7 199.3 392 401 A E T 3 S+ 0 0 94 -2,-0.8 3,-0.5 1,-0.3 -1,-0.2 0.797 98.6 53.3 -48.1 -33.2 1.0 12.4 199.0 393 402 A N T 3 S+ 0 0 155 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.477 122.0 28.1 -82.5 -4.3 0.4 12.7 202.8 394 403 A N <> + 0 0 75 -3,-3.0 4,-1.1 1,-0.1 -3,-0.5 -0.413 66.9 155.1-152.3 68.2 2.8 9.9 203.7 395 404 A I H >> S+ 0 0 9 -3,-0.5 4,-0.8 1,-0.2 3,-0.7 0.944 75.2 52.2 -65.2 -46.3 5.5 9.8 201.0 396 405 A A H >4 S+ 0 0 54 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.891 112.9 43.9 -55.6 -47.3 8.1 8.2 203.3 397 406 A G H 34 S+ 0 0 58 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.2 0.608 117.7 43.1 -78.7 -13.6 5.8 5.3 204.4 398 407 A T H << S+ 0 0 45 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.318 74.1 125.8-118.1 8.5 4.4 4.5 201.0 399 408 A L << - 0 0 10 -4,-0.8 -10,-0.1 -3,-0.5 -9,-0.1 -0.555 55.4-138.0 -66.8 121.6 7.5 4.6 198.8 400 409 A P - 0 0 43 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.218 25.9 -84.7 -75.6 169.7 7.6 1.2 197.0 401 410 A E - 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0 0 19 0, 0.0 -200,-0.2 0, 0.0 -1,-0.1 -0.427 41.6-116.7 -64.9 153.5 22.1 8.8 166.1 417 426 A P S S+ 0 0 18 0, 0.0 2,-0.6 0, 0.0 10,-0.2 0.770 104.3 60.8 -59.5 -30.3 19.8 5.8 166.4 418 427 A V + 0 0 6 -206,-2.3 3,-0.1 1,-0.1 6,-0.0 -0.916 52.5 141.6-110.8 119.8 22.9 3.6 166.6 419 428 A R - 0 0 61 -2,-0.6 2,-0.3 1,-0.3 134,-0.2 0.395 69.7 -8.2-134.9 -11.5 25.2 4.2 169.5 420 429 A D S > S- 0 0 32 130,-0.1 4,-2.0 131,-0.1 -1,-0.3 -0.955 87.6 -68.7-175.0-174.3 26.3 0.8 170.6 421 430 A R H > S+ 0 0 12 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.923 124.6 47.3 -65.7 -46.2 25.8 -3.0 170.1 422 431 A L H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.956 115.4 43.5 -59.6 -52.8 22.3 -3.2 171.6 423 432 A S H > S+ 0 0 7 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.837 110.2 59.6 -64.4 -28.2 20.9 -0.1 169.8 424 433 A Y H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.919 109.3 41.7 -63.9 -43.7 22.6 -1.4 166.6 425 434 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 -3,-0.2 5,-0.3 0.901 117.2 47.7 -70.1 -41.8 20.6 -4.7 166.8 426 435 A Q H X S+ 0 0 20 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.943 115.9 42.8 -66.3 -46.8 17.4 -3.0 167.7 427 436 A H H X S+ 0 0 36 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.907 116.7 48.3 -66.3 -40.0 17.6 -0.3 165.1 428 437 A S H X S+ 0 0 1 -4,-1.9 4,-2.8 -5,-0.3 5,-0.2 0.948 113.7 43.5 -66.3 -52.5 18.7 -2.8 162.4 429 438 A L H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.883 117.5 48.3 -63.4 -36.4 16.1 -5.5 163.0 430 439 A T H X S+ 0 0 28 -4,-1.9 4,-2.9 -5,-0.3 -2,-0.2 0.914 112.7 47.3 -67.6 -45.6 13.4 -2.8 163.3 431 440 A S H X S+ 0 0 30 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.896 112.6 49.3 -65.1 -42.2 14.6 -1.0 160.1 432 441 A I H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.916 114.6 44.7 -61.1 -43.8 14.7 -4.2 158.2 433 442 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.924 115.5 46.9 -68.9 -44.9 11.2 -5.3 159.3 434 443 A N H X S+ 0 0 27 -4,-2.9 4,-2.9 2,-0.2 5,-0.5 0.834 109.1 54.3 -66.1 -35.3 9.7 -1.8 158.7 435 444 A Y H X>S+ 0 0 79 -4,-2.4 4,-2.4 -5,-0.2 5,-0.5 0.945 111.7 45.2 -63.5 -45.8 11.3 -1.6 155.3 436 445 A Y H X5S+ 0 0 5 -4,-1.9 4,-0.9 3,-0.2 -2,-0.2 0.915 116.9 46.6 -60.8 -42.5 9.7 -4.9 154.3 437 446 A H H <5S+ 0 0 85 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.954 126.7 22.0 -68.7 -50.5 6.4 -3.8 155.8 438 447 A Y H <5S+ 0 0 68 -4,-2.9 -3,-0.2 -233,-0.2 -2,-0.2 0.743 133.0 31.2 -90.8 -24.8 6.0 -0.3 154.4 439 448 A H H <5S+ 0 0 25 -4,-2.4 2,-0.5 -5,-0.5 -3,-0.2 0.458 92.8 89.0-122.1 -1.4 8.3 -0.4 151.3 440 449 A C << - 0 0 31 -4,-0.9 3,-0.0 -5,-0.5 -1,-0.0 -0.891 39.6-175.2-104.4 126.0 8.4 -3.9 149.8 441 450 A D S S+ 0 0 176 -2,-0.5 2,-0.7 1,-0.1 -1,-0.1 0.116 70.5 99.2 -90.9 16.3 5.8 -5.0 147.2 442 451 A E + 0 0 85 -6,-0.2 -1,-0.1 2,-0.0 50,-0.1 -0.478 61.3 170.3-100.9 56.9 7.7 -8.3 147.6 443 452 A K + 0 0 78 -2,-0.7 2,-0.3 4,-0.0 3,-0.1 -0.248 11.4 155.4 -79.8 160.2 5.1 -9.8 150.0 444 453 A S > - 0 0 28 1,-0.1 4,-1.3 45,-0.0 -2,-0.0 -0.955 47.1-118.2-168.5 163.3 4.7 -13.4 151.3 445 454 A S H > S+ 0 0 98 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.896 115.0 50.0 -80.3 -41.0 3.2 -15.2 154.3 446 455 A T H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.934 113.9 46.6 -59.0 -47.6 6.5 -16.6 155.5 447 456 A N H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.875 108.3 58.0 -60.5 -38.0 8.0 -13.1 155.3 448 457 A E H X S+ 0 0 70 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.880 110.4 40.2 -62.1 -42.9 4.9 -11.6 157.1 449 458 A S H X S+ 0 0 70 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.863 114.5 52.1 -77.5 -36.0 5.3 -13.7 160.2 450 459 A V H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.934 111.3 49.9 -60.7 -43.0 9.1 -13.4 160.2 451 460 A K H X S+ 0 0 8 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.925 111.8 46.2 -59.3 -49.0 8.5 -9.6 160.0 452 461 A N H X S+ 0 0 77 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.868 111.3 53.6 -61.9 -37.5 6.0 -9.6 162.9 453 462 A L H X S+ 0 0 32 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.891 106.0 51.2 -65.9 -42.1 8.3 -11.8 165.0 454 463 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.910 111.9 47.5 -61.9 -43.5 11.3 -9.4 164.6 455 464 A L H X S+ 0 0 53 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.894 113.8 47.8 -65.0 -39.5 9.2 -6.5 165.7 456 465 A E H X S+ 0 0 107 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.926 111.7 50.0 -65.5 -45.7 7.8 -8.5 168.6 457 466 A R H X S+ 0 0 40 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.861 109.8 50.3 -62.9 -38.4 11.3 -9.6 169.6 458 467 A V H X S+ 0 0 4 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.937 110.1 50.4 -66.0 -43.3 12.7 -6.1 169.5 459 468 A K H >< S+ 0 0 141 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.947 110.6 50.1 -57.3 -49.2 9.8 -4.9 171.7 460 469 A E H >< S+ 0 0 67 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.850 103.7 60.0 -56.6 -36.5 10.5 -7.7 174.1 461 470 A S H >< S+ 0 0 1 -4,-1.8 3,-1.2 1,-0.3 -1,-0.3 0.718 92.3 67.7 -68.7 -19.5 14.2 -6.7 174.2 462 471 A R T << S+ 0 0 102 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.559 98.1 51.9 -76.9 -7.6 13.3 -3.2 175.5 463 472 A T T < S+ 0 0 86 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.174 98.2 84.6-112.1 13.1 12.2 -4.6 178.8 464 473 A K S < S- 0 0 70 -3,-1.2 -59,-0.1 -59,-0.1 2,-0.1 -0.821 87.1 -98.8-115.2 153.2 15.3 -6.6 179.5 465 474 A P > - 0 0 32 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.422 50.3 -98.4 -64.0 155.2 18.7 -5.7 181.0 466 475 A D H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.774 118.8 45.4 -51.1 -46.1 21.3 -4.9 178.4 467 476 A S H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 117.1 45.2 -66.8 -45.2 23.2 -8.3 178.3 468 477 A E H > S+ 0 0 115 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.869 111.1 54.2 -64.6 -36.8 20.0 -10.3 178.2 469 478 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.938 108.3 49.3 -64.1 -44.9 18.5 -8.0 175.6 470 479 A I H X S+ 0 0 40 -4,-2.3 4,-2.0 1,-0.2 3,-0.2 0.931 112.5 46.9 -59.2 -47.6 21.5 -8.5 173.3 471 480 A K H X S+ 0 0 56 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.889 108.2 56.6 -62.6 -39.2 21.3 -12.3 173.6 472 481 A H H X S+ 0 0 32 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.872 109.6 46.0 -57.3 -38.8 17.6 -12.3 173.0 473 482 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.2 -2,-0.2 0.855 110.8 50.5 -79.2 -35.5 18.1 -10.5 169.7 474 483 A E H X S+ 0 0 45 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.858 110.9 50.1 -68.2 -35.2 21.0 -12.8 168.5 475 484 A Q H X S+ 0 0 120 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.846 108.4 54.1 -68.4 -34.9 18.8 -15.8 169.3 476 485 A T H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.2 -2,-0.2 0.917 106.2 51.4 -63.5 -43.8 16.0 -14.1 167.3 477 486 A X H X S+ 0 0 12 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.881 111.9 46.6 -60.2 -39.9 18.4 -13.8 164.3 478 487 A D H X S+ 0 0 94 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.914 113.5 47.4 -70.9 -41.9 19.3 -17.4 164.5 479 488 A E H X S+ 0 0 84 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.905 112.8 51.2 -62.8 -40.7 15.7 -18.5 164.8 480 489 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.932 110.1 46.6 -65.2 -48.4 14.7 -16.2 162.0 481 490 A R H X S+ 0 0 54 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.875 111.1 54.1 -57.6 -39.7 17.4 -17.6 159.6 482 491 A Q H X S+ 0 0 135 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.848 111.6 44.7 -66.4 -34.1 16.4 -21.1 160.5 483 492 A I H X S+ 0 0 52 -4,-1.7 4,-1.1 2,-0.2 6,-0.2 0.924 111.3 51.7 -73.5 -47.2 12.8 -20.3 159.6 484 493 A L H ><>S+ 0 0 0 -4,-2.8 5,-1.4 1,-0.2 3,-0.5 0.900 111.1 48.5 -59.2 -41.7 13.6 -18.6 156.4 485 494 A E H ><5S+ 0 0 108 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.903 102.6 63.2 -61.9 -41.0 15.7 -21.6 155.3 486 495 A S H 3<5S+ 0 0 89 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.792 116.0 29.7 -55.6 -31.9 12.9 -24.0 156.2 487 496 A K T <<5S- 0 0 141 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.194 108.7-121.4-114.0 11.3 10.7 -22.4 153.6 488 497 A N T < 5 + 0 0 106 -3,-1.7 2,-1.2 1,-0.2 -3,-0.2 0.624 55.5 157.7 53.7 18.7 13.6 -21.4 151.3 489 498 A E < + 0 0 44 -5,-1.4 -1,-0.2 -6,-0.2 5,-0.1 -0.598 4.7 161.9 -70.2 96.9 12.5 -17.8 151.5 490 499 A K + 0 0 92 -2,-1.2 -1,-0.1 -3,-0.1 -5,-0.0 -0.247 30.5 106.8-119.5 46.8 15.7 -16.1 150.6 491 500 A G S > S- 0 0 13 -49,-0.1 4,-2.6 3,-0.0 5,-0.2 0.249 87.9 -34.9 -94.3-139.9 14.7 -12.6 149.6 492 501 A F H > S+ 0 0 37 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.885 133.5 48.0 -51.4 -52.3 15.1 -9.2 151.3 493 502 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 114.7 45.2 -61.4 -48.6 14.6 -10.4 154.9 494 503 A W H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 115.6 48.1 -59.2 -44.9 17.1 -13.3 154.6 495 504 A Q H < S+ 0 0 114 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.933 114.2 43.5 -66.6 -48.9 19.6 -11.1 152.8 496 505 A Q H >< S+ 0 0 52 -4,-3.0 3,-0.8 -5,-0.2 4,-0.4 0.871 113.6 51.3 -66.5 -37.7 19.5 -8.1 155.2 497 506 A I H >< S+ 0 0 0 -4,-2.2 3,-1.3 -5,-0.3 -1,-0.2 0.910 107.4 51.8 -68.7 -40.1 19.6 -10.3 158.3 498 507 A N T 3< S+ 0 0 67 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.548 103.3 63.3 -69.1 -5.8 22.6 -12.3 157.1 499 508 A H T < S+ 0 0 69 -3,-0.8 115,-2.8 -4,-0.3 -1,-0.2 0.571 73.1 118.7 -94.4 -12.3 24.3 -8.9 156.6 500 509 A I S < S- 0 0 8 -3,-1.3 115,-0.1 -4,-0.4 -75,-0.0 -0.326 70.1-114.2 -58.3 128.7 24.1 -8.0 160.3 501 510 A S - 0 0 1 113,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.248 22.6-118.0 -64.9 150.3 27.7 -7.4 161.6 502 511 A P - 0 0 32 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.303 45.8 -85.8 -72.4 171.1 29.2 -9.8 164.2 503 512 A N > - 0 0 40 1,-0.1 4,-2.7 -2,-0.0 5,-0.2 -0.403 38.6-104.9 -80.8 165.8 30.2 -8.2 167.5 504 513 A A H > S+ 0 0 8 47,-0.4 4,-2.2 1,-0.2 5,-0.1 0.842 118.1 47.8 -57.7 -38.1 33.5 -6.4 168.0 505 514 A R H > S+ 0 0 146 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 113.0 46.0 -73.4 -45.8 35.0 -9.2 170.1 506 515 A Q H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.901 114.1 50.2 -62.6 -40.4 34.0 -12.1 167.8 507 516 A Y H X S+ 0 0 4 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.921 107.8 53.6 -61.8 -45.4 35.3 -10.0 164.8 508 517 A C H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.906 110.3 46.3 -56.8 -45.1 38.6 -9.4 166.5 509 518 A E H X S+ 0 0 89 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.893 111.3 52.0 -68.0 -38.8 39.2 -13.1 167.1 510 519 A Q H X S+ 0 0 111 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.941 113.1 44.9 -60.7 -48.7 38.2 -14.0 163.5 511 520 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.946 114.4 48.3 -57.5 -51.7 40.7 -11.4 162.2 512 521 A K H X S+ 0 0 13 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.867 109.2 53.5 -62.3 -37.2 43.4 -12.5 164.6 513 522 A A H X S+ 0 0 50 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.936 110.2 46.2 -64.0 -44.5 43.0 -16.1 163.8 514 523 A A H X S+ 0 0 31 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.906 113.5 50.4 -63.0 -40.2 43.3 -15.6 160.0 515 524 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.4 0.907 105.1 55.1 -65.1 -45.0 46.4 -13.4 160.6 516 525 A R H X S+ 0 0 110 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.866 102.3 59.4 -55.9 -36.4 48.1 -16.0 162.8 517 526 A E H X S+ 0 0 78 -4,-1.5 4,-1.8 1,-0.2 5,-0.3 0.899 107.2 45.2 -61.8 -39.7 47.7 -18.4 160.0 518 527 A H H X S+ 0 0 7 -4,-1.2 4,-2.9 -3,-0.4 -2,-0.2 0.931 109.6 54.9 -67.8 -44.2 49.7 -16.1 157.7 519 528 A L H < S+ 0 0 32 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.866 116.0 40.0 -54.6 -36.2 52.3 -15.6 160.4 520 529 A E H < S+ 0 0 140 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.798 132.6 17.0 -84.2 -30.7 52.8 -19.3 160.7 521 530 A H H < S+ 0 0 47 -4,-1.8 2,-1.3 -5,-0.2 -3,-0.2 0.540 89.2 101.1-127.2 -10.8 52.6 -20.4 157.0 522 531 A N >< + 0 0 0 -4,-2.9 3,-0.5 -5,-0.3 76,-0.1 -0.673 40.5 178.8 -87.8 94.1 53.2 -17.4 154.7 523 532 A Q T 3 S+ 0 0 125 -2,-1.3 -1,-0.2 74,-0.3 75,-0.1 0.444 73.1 64.6 -73.3 -1.4 56.8 -17.9 153.6 524 533 A V T 3 S+ 0 0 4 73,-0.3 -1,-0.2 2,-0.1 57,-0.1 0.854 76.2 99.2 -90.9 -36.6 56.6 -14.8 151.4 525 534 A L < - 0 0 11 -3,-0.5 2,-0.1 -7,-0.1 45,-0.1 -0.164 69.8-131.4 -53.6 135.2 56.1 -12.1 154.1 526 535 A S > - 0 0 22 1,-0.1 4,-2.4 4,-0.0 3,-0.2 -0.375 26.1-106.6 -78.9 167.0 59.1 -10.2 155.2 527 536 A D H > S+ 0 0 141 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.819 123.1 57.5 -61.6 -29.8 60.0 -9.7 158.8 528 537 A T H > S+ 0 0 90 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.866 108.7 43.7 -67.9 -37.4 58.8 -6.0 158.3 529 538 A Q H > S+ 0 0 4 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.892 111.8 52.6 -77.3 -39.6 55.4 -7.1 157.1 530 539 A K H X S+ 0 0 39 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.914 108.2 51.6 -61.1 -41.5 55.0 -9.7 159.9 531 540 A E H X S+ 0 0 101 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.884 106.7 54.0 -62.9 -35.7 55.8 -7.1 162.4 532 541 A E H X S+ 0 0 64 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.899 107.4 51.6 -64.7 -37.3 53.1 -4.9 160.9 533 542 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.893 109.8 48.1 -64.2 -41.7 50.7 -7.7 161.3 534 543 A R H X S+ 0 0 103 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.858 111.6 50.1 -67.7 -35.9 51.5 -8.1 165.0 535 544 A K H X S+ 0 0 58 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.873 109.2 51.4 -71.3 -37.5 51.2 -4.4 165.7 536 545 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.923 109.5 51.1 -61.4 -42.9 47.9 -4.4 164.0 537 546 A X H X S+ 0 0 19 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.871 108.8 50.2 -64.6 -38.8 46.8 -7.3 166.2 538 547 A D H X S+ 0 0 98 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.898 108.7 52.7 -66.0 -39.3 47.9 -5.5 169.4 539 548 A R H X S+ 0 0 93 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.864 107.3 52.0 -64.9 -35.4 46.0 -2.4 168.3 540 549 A X H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.884 108.6 50.9 -68.0 -38.4 42.8 -4.4 167.8 541 550 A D H X S+ 0 0 60 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.881 110.9 48.5 -65.2 -39.0 43.2 -5.9 171.3 542 551 A N H < S+ 0 0 115 -4,-2.1 4,-0.3 2,-0.2 -2,-0.2 0.889 109.8 53.6 -67.4 -39.3 43.5 -2.4 172.8 543 552 A I H >< S+ 0 0 14 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.952 108.1 48.2 -57.8 -53.2 40.5 -1.3 170.8 544 553 A V H 3< S+ 0 0 15 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.826 114.4 48.5 -57.9 -29.3 38.3 -4.1 172.2 545 554 A N T 3< S+ 0 0 124 -4,-1.3 2,-0.4 -5,-0.2 -1,-0.3 0.403 82.0 119.1 -95.4 3.8 39.5 -3.2 175.7 546 555 A D X - 0 0 50 -3,-1.5 3,-0.7 -4,-0.3 8,-0.1 -0.545 46.8-163.1 -78.1 125.1 38.9 0.6 175.5 547 556 A S T 3 S+ 0 0 128 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.601 86.6 62.6 -81.7 -10.5 36.5 1.9 178.1 548 557 A S T 3 S+ 0 0 98 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.449 92.8 76.7 -94.1 -0.8 36.0 5.1 176.1 549 558 A K S < S- 0 0 51 -3,-0.7 2,-0.1 -6,-0.2 5,-0.0 -0.914 77.3-124.8-116.6 136.4 34.5 3.5 173.0 550 559 A D > - 0 0 49 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.377 33.0-109.4 -71.1 156.1 31.1 2.1 172.4 551 560 A S H > S+ 0 0 50 1,-0.2 4,-0.8 2,-0.2 -47,-0.4 0.726 116.9 47.2 -62.4 -26.2 30.9 -1.5 171.3 552 561 A Q H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 108.6 54.7 -85.6 -36.9 29.8 -0.7 167.7 553 562 A Q H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.874 104.1 56.7 -57.6 -35.2 32.5 1.9 167.3 554 563 A K H X S+ 0 0 34 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.875 105.1 51.8 -64.8 -35.4 34.9 -0.8 168.3 555 564 A Y H X S+ 0 0 0 -4,-0.8 4,-1.8 1,-0.2 -2,-0.2 0.965 109.9 47.9 -62.7 -50.6 33.6 -2.9 165.4 556 565 A R H X S+ 0 0 86 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.827 111.5 51.2 -60.2 -33.9 34.2 -0.1 163.0 557 566 A E H X S+ 0 0 53 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.850 106.1 51.6 -77.8 -34.0 37.7 0.6 164.3 558 567 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.876 110.0 52.8 -65.2 -34.9 38.9 -3.0 164.0 559 568 A R H X S+ 0 0 26 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.931 107.4 50.1 -66.1 -43.7 37.6 -2.8 160.4 560 569 A R H X S+ 0 0 54 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.856 108.5 53.8 -58.4 -36.6 39.6 0.3 159.8 561 570 A E H X S+ 0 0 16 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.922 107.7 50.2 -65.5 -40.6 42.6 -1.5 161.2 562 571 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.893 111.5 47.4 -64.3 -42.4 42.1 -4.4 158.7 563 572 A I H X S+ 0 0 17 -4,-2.2 4,-1.9 2,-0.2 119,-0.3 0.892 112.3 49.6 -64.6 -41.3 41.9 -2.0 155.8 564 573 A E H X S+ 0 0 63 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.875 109.9 51.0 -67.7 -39.0 45.0 -0.1 156.9 565 574 A L H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.906 107.9 53.1 -63.5 -41.2 47.0 -3.3 157.3 566 575 A N H X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.900 110.3 48.3 -59.0 -41.6 45.9 -4.3 153.8 567 576 A A H < S+ 0 0 10 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.862 120.5 35.6 -63.6 -38.5 47.3 -1.0 152.5 568 577 A K H < S+ 0 0 49 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.798 120.3 35.0 -92.0 -33.0 50.6 -1.3 154.3 569 578 A A H < S+ 0 0 0 -4,-2.6 -3,-0.1 -5,-0.1 -1,-0.1 0.341 102.3 63.1-116.2 5.9 51.7 -5.0 154.4 570 579 A T S < S+ 0 0 13 -4,-0.7 33,-0.2 -5,-0.2 -1,-0.1 0.462 76.2 101.4-112.2 -1.8 50.6 -6.7 151.2 571 580 A T S S- 0 0 71 -4,-0.1 2,-0.0 -3,-0.1 -4,-0.0 -0.643 83.1-103.1 -89.7 135.4 52.7 -4.6 148.7 572 581 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.347 23.0-147.6 -58.0 132.8 55.9 -6.1 147.3 573 582 A E S S- 0 0 91 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.811 71.7 -20.4 -74.7 -30.8 59.0 -4.6 149.0 574 583 A D S > S- 0 0 79 1,-0.1 4,-2.1 -3,-0.0 5,-0.2 -0.934 78.9 -79.9-159.7-178.8 61.2 -4.8 145.9 575 584 A D H > S+ 0 0 129 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.847 126.7 56.3 -57.9 -36.4 61.6 -6.6 142.6 576 585 A N H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 107.4 44.8 -63.7 -47.8 63.1 -9.5 144.6 577 586 A Q H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.883 111.1 55.1 -64.6 -36.4 60.1 -10.0 146.9 578 587 A L H X S+ 0 0 96 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.909 109.4 47.0 -62.6 -41.5 57.7 -9.7 143.9 579 588 A T H X S+ 0 0 75 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.866 112.1 50.5 -65.9 -39.4 59.6 -12.5 142.1 580 589 A R H X S+ 0 0 123 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.905 110.6 49.4 -63.5 -42.2 59.4 -14.6 145.3 581 590 A S H X S+ 0 0 10 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.941 112.4 47.9 -65.6 -48.7 55.7 -14.0 145.6 582 591 A H H X S+ 0 0 117 -4,-2.5 4,-1.4 1,-0.2 3,-0.3 0.941 114.1 45.8 -53.2 -52.4 55.1 -15.0 142.0 583 592 A F H X S+ 0 0 108 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.757 103.3 62.0 -72.6 -24.4 57.2 -18.2 142.3 584 593 A Q H X S+ 0 0 28 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.918 108.3 44.8 -63.6 -42.7 55.7 -19.3 145.6 585 594 A K H < S+ 0 0 107 -4,-1.4 4,-0.3 -3,-0.3 -2,-0.2 0.861 115.8 47.8 -66.4 -37.1 52.3 -19.6 143.9 586 595 A A H >< S+ 0 0 42 -4,-1.4 3,-1.1 2,-0.2 -2,-0.2 0.962 108.7 49.2 -72.3 -54.3 53.8 -21.3 140.8 587 596 A Y H 3< S+ 0 0 189 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 120.1 36.2 -52.5 -43.2 55.9 -24.0 142.4 588 597 A F T 3< 0 0 64 -4,-1.2 -1,-0.2 -5,-0.3 4,-0.2 0.309 360.0 360.0-103.5 7.9 53.2 -25.3 144.7 589 598 A E < 0 0 181 -3,-1.1 -2,-0.1 -4,-0.3 -3,-0.1 0.962 360.0 360.0 -63.9 360.0 50.2 -24.8 142.4 590 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 591 601 A G 0 0 99 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 7.3 48.9 -29.2 145.9 592 602 A D > - 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