==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE (ATP-BINDING) 18-NOV-93 1SCU . COMPND 2 MOLECULE: SUCCINYL-COA SYNTHETASE, ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.T.WOLODKO,M.E.FRASER,M.N.G.JAMES,W.A.BRIDGER . 1352 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1060 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 143 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 123 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 166 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 403 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.1 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 1 1 2 3 3 2 9 6 2 7 5 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 5 7 8 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 PARALLEL BRIDGES PER LADDER . 2 5 5 7 5 0 3 1 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 . 3 0 2 0 2 6 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 39 0, 0.0 198,-0.2 0, 0.0 172,-0.1 0.000 360.0 360.0 360.0 150.7 48.5 80.9 61.6 2 2 A I - 0 0 21 2,-0.4 3,-0.1 170,-0.1 126,-0.0 0.690 360.0 -5.4-128.7 -51.2 49.1 77.4 61.1 3 3 A L S S+ 0 0 39 1,-0.3 2,-0.3 5,-0.0 170,-0.0 0.831 121.1 32.0-118.4 -31.5 47.1 75.6 58.7 4 4 A I + 0 0 3 128,-0.1 -2,-0.4 4,-0.0 -1,-0.3 -0.839 59.5 173.8-121.7 150.2 44.5 77.7 57.2 5 5 A D > - 0 0 57 -2,-0.3 3,-1.7 126,-0.1 128,-0.1 -0.836 53.8 -78.6-140.8-173.2 44.6 81.4 56.6 6 6 A K T 3 S+ 0 0 77 1,-0.3 124,-0.0 -2,-0.3 -2,-0.0 0.645 125.4 60.7 -74.6 -4.8 42.3 83.8 54.9 7 7 A N T 3 S+ 0 0 118 2,-0.1 2,-0.5 125,-0.0 -1,-0.3 0.582 75.7 114.5 -96.0 -3.5 43.5 82.7 51.6 8 8 A T < - 0 0 19 -3,-1.7 25,-0.6 57,-0.1 2,-0.5 -0.507 55.0-152.0 -71.6 117.6 42.5 79.2 52.0 9 9 A K E -a 33 0A 103 -2,-0.5 57,-1.8 55,-0.2 58,-1.3 -0.774 19.6-162.1 -92.3 124.6 39.7 78.2 49.6 10 10 A V E -ab 34 67A 0 23,-2.0 25,-4.4 -2,-0.5 26,-1.0 -0.789 17.8-172.4-115.6 158.5 37.5 75.4 50.8 11 11 A I E -ab 36 68A 1 56,-2.0 58,-2.2 -2,-0.3 2,-0.5 -0.899 18.0-132.9-136.4 162.5 35.0 72.8 49.7 12 12 A C E > -ab 37 69A 0 24,-1.2 26,-4.3 -2,-0.3 3,-0.7 -0.963 0.6-151.4-125.9 133.1 32.7 70.5 51.4 13 13 A Q E 3 S+ab 38 70A 4 56,-3.9 58,-3.6 -2,-0.5 26,-0.2 -0.872 95.4 20.5-101.4 119.8 32.1 66.9 50.9 14 14 A G T > S+ 0 0 10 24,-2.8 3,-0.9 -2,-0.6 6,-0.5 0.815 84.7 155.9 87.2 32.2 28.5 66.1 52.0 15 15 A F T < + 0 0 0 23,-0.7 9,-0.2 -3,-0.7 -2,-0.1 0.863 67.0 46.8 -54.3 -51.0 27.8 69.8 51.6 16 16 A T T 3 S+ 0 0 31 -4,-0.1 -1,-0.3 4,-0.1 23,-0.1 0.509 94.5 99.1 -75.7 -6.8 24.1 69.4 51.0 17 17 A G S <> S- 0 0 20 -3,-0.9 4,-1.3 1,-0.1 5,-0.2 0.068 89.7 -98.7 -66.0-170.7 23.8 67.0 53.9 18 18 A S H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.898 119.9 35.5 -81.4 -49.3 22.6 68.4 57.2 19 19 A Q H > S+ 0 0 106 52,-0.2 4,-1.9 2,-0.2 5,-0.3 0.855 116.3 59.1 -67.6 -37.6 25.6 68.9 59.2 20 20 A G H > S+ 0 0 0 -6,-0.5 4,-2.2 51,-0.2 -2,-0.2 0.887 109.7 42.3 -57.9 -49.1 27.2 69.9 56.0 21 21 A T H X S+ 0 0 32 -4,-1.3 4,-3.1 2,-0.2 5,-0.2 0.999 113.8 47.1 -66.6 -69.9 24.9 72.6 55.5 22 22 A F H X S+ 0 0 75 -4,-1.9 4,-1.4 1,-0.3 3,-0.4 0.908 117.5 42.1 -36.4 -75.4 24.6 74.0 58.9 23 23 A H H X S+ 0 0 18 -4,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.870 110.7 57.4 -43.7 -45.1 28.2 74.1 59.5 24 24 A S H X S+ 0 0 4 -4,-2.2 4,-3.2 -5,-0.3 5,-0.3 0.978 101.0 60.1 -53.2 -45.3 28.8 75.4 56.0 25 25 A E H X S+ 0 0 109 -4,-3.1 4,-2.9 -3,-0.4 5,-0.2 0.911 107.1 42.9 -43.6 -63.5 26.6 78.2 56.8 26 26 A Q H X S+ 0 0 76 -4,-1.4 4,-2.9 2,-0.3 6,-0.3 0.903 109.9 53.5 -54.3 -47.6 28.6 79.4 59.6 27 27 A A H X>S+ 0 0 7 -4,-2.4 5,-2.2 -5,-0.3 4,-0.9 0.978 112.1 49.6 -53.8 -41.4 31.9 79.0 58.0 28 28 A I H ><5S+ 0 0 61 -4,-3.2 3,-1.0 -5,-0.3 -2,-0.3 0.918 110.7 47.2 -56.8 -50.5 30.4 81.0 55.4 29 29 A A H 3<5S+ 0 0 87 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.711 108.1 57.2 -62.4 -28.3 29.2 83.6 57.8 30 30 A Y H 3<5S- 0 0 67 -4,-2.9 -1,-0.2 -3,-0.4 -2,-0.2 0.596 122.0-103.9 -81.6 -11.9 32.6 83.7 59.5 31 31 A G T <<5 + 0 0 27 -3,-1.0 -3,-0.2 -4,-0.9 -2,-0.1 0.376 66.0 155.4 105.2 -3.9 34.2 84.6 56.3 32 32 A T < - 0 0 8 -5,-2.2 2,-1.6 -6,-0.3 -1,-0.3 -0.229 53.0-115.6 -55.5 142.8 35.8 81.2 55.6 33 33 A K E -a 9 0A 69 -25,-0.6 -23,-2.0 -3,-0.1 2,-0.3 -0.355 38.4-178.2 -86.2 58.7 36.3 81.0 51.9 34 34 A M E -a 10 0A 15 -2,-1.6 -23,-0.2 -25,-0.2 3,-0.1 -0.409 6.2-177.0 -58.9 114.7 34.0 78.3 51.1 35 35 A V E - 0 0 29 -25,-4.4 2,-0.3 1,-0.3 -24,-0.2 0.567 53.9 -69.8 -92.0 -8.0 34.5 77.9 47.4 36 36 A G E -a 11 0A 0 -26,-1.0 -24,-1.2 14,-0.1 -1,-0.3 -0.959 49.2-100.2 150.8-169.5 31.8 75.2 47.0 37 37 A G E -ac 12 52A 0 14,-1.8 16,-2.7 -26,-0.3 2,-0.5 -0.954 11.6-123.6-152.3 168.0 30.8 71.6 47.7 38 38 A V E +ac 13 53A 4 -26,-4.3 -24,-2.8 -2,-0.3 -23,-0.7 -0.973 29.2 153.7-124.6 124.8 30.5 68.0 46.6 39 39 A T > - 0 0 18 14,-2.2 3,-2.7 -2,-0.5 4,-0.2 -0.814 44.8-121.8-149.3 95.3 27.4 65.8 46.7 40 40 A P T 3 S+ 0 0 100 0, 0.0 14,-0.1 0, 0.0 2,-0.1 0.008 97.2 15.3 -37.3 124.9 27.4 63.0 44.2 41 41 A G T 3 S+ 0 0 66 1,-0.0 13,-0.1 0, 0.0 14,-0.0 -0.160 110.4 80.4 99.9 -41.5 24.4 63.3 41.9 42 42 A K X + 0 0 107 -3,-2.7 3,-1.7 11,-0.2 10,-0.2 0.304 59.8 134.2 -83.4 12.5 23.7 66.8 42.9 43 43 A G T 3 + 0 0 20 1,-0.2 10,-0.3 -4,-0.2 3,-0.1 -0.123 58.3 44.3 -53.8 155.8 26.3 68.2 40.6 44 44 A G T 3 S+ 0 0 75 8,-2.0 -1,-0.2 1,-0.3 2,-0.1 0.092 94.0 94.4 98.5 -30.5 24.9 71.1 38.7 45 45 A T < - 0 0 71 -3,-1.7 7,-3.0 7,-0.2 2,-0.4 -0.443 67.1-125.8 -97.1 179.1 23.2 72.9 41.4 46 46 A T E -F 51 0B 105 5,-0.3 2,-0.4 -2,-0.1 3,-0.1 -0.959 22.3-177.7-120.6 127.5 24.0 75.7 43.8 47 47 A H E > S+F 50 0B 40 3,-2.8 3,-3.5 -2,-0.4 -10,-0.1 -0.940 77.0 4.1-123.5 145.1 23.7 75.3 47.5 48 48 A L T 3 S- 0 0 63 -2,-0.4 -1,-0.1 1,-0.3 -32,-0.0 0.783 132.8 -62.9 46.9 29.0 24.4 78.2 49.8 49 49 A G T 3 S+ 0 0 72 1,-0.4 -1,-0.3 -3,-0.1 -3,-0.0 0.402 118.6 108.9 82.8 -6.3 25.0 80.3 46.7 50 50 A L E < S-F 47 0B 36 -3,-3.5 -3,-2.8 1,-0.1 -1,-0.4 -0.661 75.6-102.1-106.1 158.8 27.8 78.1 45.8 51 51 A P E -F 46 0B 49 0, 0.0 -14,-1.8 0, 0.0 2,-0.4 -0.423 28.7-144.5 -77.1 152.5 28.1 75.5 43.1 52 52 A V E -c 37 0A 3 -7,-3.0 -8,-2.0 -16,-0.2 2,-0.3 -0.969 16.0-163.4-123.8 135.3 27.7 71.8 43.9 53 53 A F E -c 38 0A 36 -16,-2.7 -14,-2.2 -2,-0.4 -11,-0.2 -0.757 27.1-135.4-118.4 162.0 29.7 69.2 42.0 54 54 A N S S+ 0 0 59 -2,-0.3 2,-0.4 1,-0.2 3,-0.1 0.806 88.8 30.0 -86.3 -22.8 29.6 65.4 41.5 55 55 A T > - 0 0 43 1,-0.2 4,-3.0 -16,-0.1 5,-0.2 -0.983 67.4-129.8-138.4 151.9 33.2 64.9 42.1 56 56 A V H > S+ 0 0 0 -2,-0.4 4,-3.2 1,-0.3 5,-0.4 0.974 111.6 58.1 -61.0 -50.8 36.0 66.3 43.9 57 57 A R H > S+ 0 0 134 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.914 109.9 47.1 -41.7 -45.4 38.0 66.3 40.7 58 58 A E H > S+ 0 0 82 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.994 111.1 47.7 -60.4 -63.3 35.4 68.5 39.3 59 59 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.5 0.930 113.5 50.0 -43.2 -54.0 35.1 70.8 42.2 60 60 A V H X S+ 0 0 26 -4,-3.2 4,-3.4 1,-0.3 -1,-0.2 0.967 109.4 49.1 -54.8 -51.1 38.8 71.2 42.3 61 61 A A H < S+ 0 0 89 -4,-2.9 -1,-0.3 -5,-0.4 -2,-0.2 0.898 115.6 45.7 -54.4 -40.2 39.2 71.9 38.7 62 62 A A H < S+ 0 0 63 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.786 128.6 19.7 -71.2 -37.8 36.6 74.4 38.9 63 63 A T H < S- 0 0 30 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.534 81.6-135.5-114.6 -14.9 37.6 76.2 42.1 64 64 A G < + 0 0 43 -4,-3.4 -55,-0.2 -5,-0.5 -4,-0.1 0.787 49.0 159.7 67.7 16.6 41.2 75.5 42.7 65 65 A A - 0 0 0 -6,-0.4 -1,-0.2 -5,-0.2 -55,-0.2 -0.299 27.1-168.0 -67.7 160.7 40.2 75.0 46.2 66 66 A T + 0 0 63 -57,-1.8 24,-2.2 -3,-0.1 25,-1.6 0.515 57.1 66.4-131.4 10.9 42.7 73.0 48.1 67 67 A A E -bd 10 91A 1 -58,-1.3 -56,-2.0 22,-0.2 2,-0.4 -0.918 55.5-169.2-132.8 152.9 40.9 72.1 51.3 68 68 A S E -bd 11 92A 0 23,-1.9 25,-2.3 -2,-0.3 2,-0.4 -0.991 14.4-158.2-154.8 141.4 38.1 70.1 52.2 69 69 A V E -bd 12 93A 4 -58,-2.2 -56,-3.9 -2,-0.4 2,-0.5 -0.911 18.1-147.2-109.5 145.6 35.8 69.3 54.9 70 70 A I E +bd 13 94A 0 23,-1.6 25,-2.1 -2,-0.4 26,-0.7 -0.949 23.8 173.4-124.3 120.6 34.0 66.2 55.0 71 71 A Y + 0 0 33 -58,-3.6 -51,-0.2 -2,-0.5 -52,-0.2 -0.285 42.3 137.5-109.3 37.9 30.5 65.7 56.5 72 72 A V - 0 0 23 -59,-0.1 24,-0.2 1,-0.1 5,-0.1 -0.769 56.7-107.9 -99.5 136.6 30.3 62.2 55.3 73 73 A P >> - 0 0 43 0, 0.0 3,-3.8 0, 0.0 4,-1.1 -0.173 34.3-103.8 -62.9 138.4 28.9 59.3 57.3 74 74 A A H >> S+ 0 0 7 23,-0.7 3,-1.4 1,-0.3 4,-0.7 0.763 114.7 55.4 -22.5 -67.2 31.2 56.6 58.6 75 75 A P H 34 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.626 118.2 32.6 -47.5 -24.6 30.4 54.0 56.2 76 76 A F H X> S+ 0 0 89 -3,-3.8 4,-1.7 2,-0.1 3,-0.6 0.444 93.4 96.4-115.6 -7.7 31.2 56.1 53.2 77 77 A C H S+ 0 0 116 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.982 109.2 42.1 -59.5 -55.4 35.7 56.6 50.0 80 80 A S H X S+ 0 0 9 -4,-1.7 4,-3.0 1,-0.2 5,-0.3 0.988 112.4 54.6 -54.9 -58.3 35.4 60.3 50.1 81 81 A I H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.909 111.0 45.1 -42.9 -49.2 38.7 60.6 51.8 82 82 A L H X S+ 0 0 55 -4,-2.8 4,-3.1 -5,-0.3 -1,-0.2 0.984 110.6 55.7 -57.7 -51.1 40.4 58.6 49.1 83 83 A E H X S+ 0 0 58 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.868 107.6 48.3 -43.5 -49.7 38.6 60.6 46.5 84 84 A A H >X>S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 3,-1.4 0.976 110.4 48.3 -63.1 -54.4 39.9 63.8 47.8 85 85 A I H ><5S+ 0 0 20 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.933 112.2 53.7 -46.9 -41.5 43.5 62.7 48.1 86 86 A D H 3<5S+ 0 0 95 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.731 105.9 50.5 -68.8 -27.8 43.0 61.5 44.7 87 87 A A H <<5S- 0 0 17 -3,-1.4 -1,-0.3 -4,-1.3 -2,-0.2 0.605 121.4-101.0 -88.1 -10.7 41.8 64.7 43.5 88 88 A G T <<5 + 0 0 39 -4,-1.9 2,-0.3 -3,-0.6 -3,-0.2 0.819 63.6 153.1 99.3 35.1 44.6 66.7 44.9 89 89 A I < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.1 -22,-0.2 -0.728 25.5-164.9 -88.3 152.1 43.4 68.3 48.0 90 90 A K S S+ 0 0 135 -24,-2.2 27,-2.3 1,-0.3 2,-0.6 0.364 71.6 49.5-115.7 -15.6 46.3 68.8 50.3 91 91 A L E +de 67 117A 19 -25,-1.6 -23,-1.9 25,-0.2 2,-0.4 -0.920 62.5 176.8-135.6 126.7 44.4 69.4 53.2 92 92 A I E -de 68 118A 0 25,-4.4 27,-2.5 -2,-0.6 2,-0.4 -0.922 9.7-175.4-118.0 145.6 41.6 67.4 54.6 93 93 A I E -de 69 119A 1 -25,-2.3 -23,-1.6 -2,-0.4 2,-0.5 -0.863 12.8-167.2-138.0 96.9 39.6 67.8 57.8 94 94 A T E -d 70 0A 0 25,-0.9 29,-0.5 -2,-0.4 28,-0.2 -0.774 10.6-177.0 -94.0 133.5 37.2 65.1 58.3 95 95 A I + 0 0 25 -25,-2.1 28,-0.6 -2,-0.5 -1,-0.2 0.857 40.2 117.9 -89.8 -36.3 34.7 65.6 60.9 96 96 A T - 0 0 14 -26,-0.7 26,-0.7 -24,-0.2 2,-0.4 0.181 46.9-153.0 -35.7 141.3 32.8 62.3 60.9 97 97 A E + 0 0 54 1,-0.2 -23,-0.7 24,-0.1 -1,-0.1 -0.841 65.9 61.1-120.2 145.1 32.7 60.2 63.8 98 98 A G + 0 0 7 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.680 62.1 160.5 112.2 36.5 32.2 56.3 63.6 99 99 A I - 0 0 4 -3,-0.2 -1,-0.2 1,-0.1 411,-0.1 -0.740 40.6-123.9-106.0 112.1 35.1 55.3 61.7 100 100 A P >> - 0 0 0 0, 0.0 3,-2.5 0, 0.0 4,-2.0 -0.112 19.4-132.6 -42.2 116.0 36.3 51.8 61.7 101 101 A T H 3> S+ 0 0 23 1,-0.3 4,-3.9 2,-0.2 5,-0.3 0.857 102.7 59.3 -45.6 -43.0 39.8 51.7 62.7 102 102 A L H 3> S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.837 105.5 52.6 -57.6 -30.3 40.9 49.4 60.0 103 103 A D H <> S+ 0 0 13 -3,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.919 112.0 41.8 -73.3 -47.1 39.7 51.9 57.6 104 104 A M H >X S+ 0 0 7 -4,-2.0 4,-2.9 2,-0.2 3,-0.8 0.930 110.0 60.3 -63.7 -40.8 41.6 54.7 59.0 105 105 A L H 3X S+ 0 0 12 -4,-3.9 4,-1.3 -5,-0.3 -2,-0.2 0.989 108.2 42.0 -56.4 -46.4 44.5 52.6 59.5 106 106 A T H 3X S+ 0 0 61 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.3 0.709 113.7 56.9 -67.7 -18.0 44.7 51.9 55.9 107 107 A V H X S+ 0 0 17 -4,-2.9 4,-2.2 1,-0.3 3,-0.8 0.960 103.1 57.5 -56.3 -51.6 46.7 57.1 57.2 109 109 A V H 3X S+ 0 0 47 -4,-1.3 4,-2.6 -5,-0.3 5,-0.4 0.931 105.0 48.1 -43.5 -55.6 49.1 55.2 55.1 110 110 A K H 3X S+ 0 0 78 -4,-1.1 4,-2.0 1,-0.3 -1,-0.3 0.897 107.8 57.4 -57.1 -33.7 47.8 56.6 52.0 111 111 A L H S+ 0 0 2 -4,-2.1 5,-2.3 -3,-0.8 4,-0.9 0.902 110.2 43.8 -60.6 -41.7 48.0 60.0 53.4 112 112 A D H ><5S+ 0 0 72 -4,-2.2 3,-2.1 -3,-0.3 -2,-0.2 0.990 110.6 49.9 -71.8 -57.0 51.5 59.7 54.1 113 113 A E H 3<5S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.891 116.6 47.6 -50.6 -30.5 52.6 58.2 51.0 114 114 A A H 3<5S- 0 0 43 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.2 0.599 104.7-123.9 -90.9 -7.7 50.8 60.9 49.3 115 115 A G T <<5 + 0 0 68 -3,-2.1 2,-0.3 -4,-0.9 -3,-0.2 0.765 61.6 142.2 74.3 24.8 51.9 63.9 51.3 116 116 A V < - 0 0 18 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.726 43.8-136.9-103.7 152.2 48.4 64.9 52.2 117 117 A R E +e 91 0A 71 -27,-2.3 -25,-4.4 -2,-0.3 2,-0.4 -0.909 22.1 173.4-109.7 129.4 47.2 66.4 55.4 118 118 A M E -e 92 0A 0 -2,-0.6 2,-0.5 -27,-0.2 -25,-0.3 -0.978 18.0-152.2-129.5 143.2 44.1 65.4 57.1 119 119 A I E -e 93 0A 0 -27,-2.5 -25,-0.9 -2,-0.4 4,-0.2 -0.964 49.8 -54.1-114.1 116.2 42.9 66.6 60.5 120 120 A G - 0 0 0 -2,-0.5 64,-2.2 57,-0.5 65,-0.3 -0.920 30.4-119.8 131.1-165.1 40.7 64.1 62.3 121 121 A P S S+ 0 0 0 0, 0.0 59,-0.8 0, 0.0 58,-0.2 0.574 97.4 18.1-100.7-165.4 38.4 62.5 62.2 122 122 A N S S+ 0 0 22 -26,-0.7 57,-1.4 1,-0.3 -26,-0.2 0.963 99.3 125.6 59.4 52.6 35.7 62.9 64.7 123 123 A C S S- 0 0 5 -28,-0.6 -1,-0.3 -29,-0.5 13,-0.1 -0.997 73.4-122.3-144.3 151.7 37.0 66.4 65.5 124 124 A P - 0 0 6 0, 0.0 13,-0.7 0, 0.0 12,-0.6 0.732 55.8-146.6 -56.4 -33.4 35.8 70.0 65.6 125 125 A G E -GH 135 176C 0 51,-0.5 51,-2.0 10,-0.2 2,-0.3 -0.806 27.4 -36.3 104.3-141.5 38.5 70.9 63.2 126 126 A V E +GH 134 175C 1 8,-1.7 8,-1.7 -2,-0.4 2,-0.4 -0.963 36.7 179.8-132.3 145.4 40.4 74.1 62.9 127 127 A I E -GH 133 174C 0 47,-1.2 47,-2.3 -2,-0.3 6,-0.2 -0.985 16.9-160.3-147.2 132.4 40.1 77.8 63.2 128 128 A T E >> -G 132 0C 2 4,-2.4 3,-2.7 -2,-0.4 4,-2.3 -0.930 42.7-123.8-109.1 87.4 42.6 80.5 62.8 129 129 A P T 34 S+ 0 0 7 0, 0.0 16,-0.1 0, 0.0 4,-0.1 -0.197 90.5 18.6 -45.3 116.5 40.7 83.0 64.8 130 130 A G T 34 S+ 0 0 51 14,-0.1 3,-0.1 -100,-0.1 42,-0.0 0.080 131.9 36.8 110.4 -22.1 40.1 86.0 62.7 131 131 A E T <4 S+ 0 0 66 -3,-2.7 2,-0.4 1,-0.2 -126,-0.1 0.731 110.4 27.0-126.7 -42.0 40.6 84.6 59.3 132 132 A C E < -G 128 0C 0 -4,-2.3 -4,-2.4 -128,-0.2 2,-0.5 -0.976 46.7-166.8-146.2 135.9 39.4 81.1 58.9 133 133 A K E +G 127 0C 7 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.916 13.9 159.5-120.7 135.4 36.9 78.6 60.2 134 134 A I E +G 126 0C 4 -8,-1.7 -8,-1.7 -2,-0.5 2,-0.2 -0.754 53.4 18.1-151.8 99.6 36.5 74.9 59.8 135 135 A G E S-G 125 0C 8 -2,-0.3 -10,-0.2 -10,-0.2 -40,-0.0 -0.628 100.4 -57.2 132.5 172.0 34.5 72.9 62.2 136 136 A I S S+ 0 0 61 -12,-0.6 -11,-0.1 -2,-0.2 -1,-0.1 0.526 82.3 141.6 -71.4 3.6 31.9 73.1 64.8 137 137 A Q - 0 0 2 -13,-0.7 2,-0.7 1,-0.1 -2,-0.1 -0.045 59.3-117.6 -31.8 133.5 34.3 75.4 66.4 138 138 A P > - 0 0 25 0, 0.0 3,-1.1 0, 0.0 4,-0.2 -0.843 23.3-142.0 -98.4 119.8 32.1 78.2 67.9 139 139 A G G > S+ 0 0 15 -2,-0.7 3,-2.0 1,-0.2 2,-0.1 0.851 82.4 49.3 -33.5 -83.8 32.8 81.6 66.4 140 140 A H G 3 S+ 0 0 131 1,-0.3 -1,-0.2 3,-0.0 0, 0.0 0.318 92.9 76.5 -54.6 3.2 32.7 84.4 68.8 141 141 A I G < S+ 0 0 18 -3,-1.1 2,-0.3 -2,-0.1 -1,-0.3 0.618 78.7 86.7 -93.2 -11.7 34.9 82.8 71.5 142 142 A H < - 0 0 18 -3,-2.0 20,-0.0 -4,-0.2 -14,-0.0 -0.672 53.0-163.6 -99.4 153.8 38.1 83.4 69.9 143 143 A K - 0 0 111 -2,-0.3 28,-4.2 18,-0.1 -13,-0.0 -0.980 34.2-111.3-127.5 123.1 40.6 86.2 69.9 144 144 A P E +i 171 0C 75 0, 0.0 2,-0.2 0, 0.0 28,-0.2 -0.324 66.9 128.1 -49.6 121.2 43.3 86.5 67.4 145 145 A G E - 0 0 12 26,-2.4 25,-0.3 25,-0.2 26,-0.2 -0.881 68.9 -78.2-161.9-168.0 46.4 86.0 69.5 146 146 A K E S+ 0 0 72 23,-1.7 55,-2.2 -2,-0.2 56,-1.5 0.231 82.4 108.8-101.2 21.9 49.7 84.3 70.1 147 147 A V E -ij 171 202C 0 23,-1.2 25,-4.4 22,-0.2 2,-0.4 -0.867 46.6-165.0-107.6 139.8 48.4 81.1 71.5 148 148 A G E - j 0 203C 0 54,-2.2 56,-3.5 -2,-0.5 2,-0.3 -0.894 10.7-173.0-112.4 141.8 48.5 77.9 69.8 149 149 A I E -ij 174 204C 0 24,-1.4 26,-4.4 -2,-0.4 2,-0.4 -0.989 16.2-177.9-145.9 141.0 46.5 74.8 70.8 150 150 A V E +ij 175 205C 0 54,-2.1 56,-2.8 -2,-0.3 2,-0.3 -0.968 16.5 173.3-127.9 145.4 46.2 71.2 70.0 151 151 A S E -ij 176 206C 0 24,-2.2 26,-1.5 -2,-0.4 27,-1.0 -0.996 37.7-152.1-153.2 143.9 43.7 68.9 71.6 152 152 A R S S+ 0 0 10 54,-1.4 2,-0.4 -2,-0.3 26,-0.1 0.887 90.6 57.9 -80.3 -32.0 42.4 65.5 71.3 153 153 A S > - 0 0 0 1,-0.2 4,-0.9 -3,-0.1 -1,-0.1 -0.840 68.5-152.5-103.4 140.5 39.0 66.6 72.7 154 154 A G H >> S+ 0 0 3 -2,-0.4 4,-1.4 2,-0.2 3,-0.8 0.996 87.6 44.7 -69.4 -76.7 36.7 69.3 71.3 155 155 A T H >> S+ 0 0 15 1,-0.3 4,-1.1 2,-0.2 3,-0.8 0.919 107.5 59.1 -39.6 -63.6 34.7 70.8 74.1 156 156 A L H >> S+ 0 0 1 1,-0.3 3,-2.2 2,-0.2 4,-1.3 0.863 99.5 60.4 -29.1 -57.5 37.7 71.1 76.5 157 157 A T H < S+ 0 0 25 -4,-3.6 3,-2.8 -5,-0.5 -2,-0.3 0.983 116.3 34.2 -65.5 -66.8 40.7 84.8 75.3 166 166 A D H 3< S+ 0 0 101 -4,-3.9 -2,-0.2 1,-0.3 -3,-0.2 0.856 112.0 64.2 -55.4 -29.7 39.8 86.4 78.7 167 167 A Y T 3< S- 0 0 77 -4,-3.0 -1,-0.3 -5,-0.4 -3,-0.2 0.556 116.8-113.8 -75.7 9.7 43.4 86.3 79.7 168 168 A G S < S+ 0 0 54 -3,-2.8 -1,-0.1 -5,-0.4 -2,-0.1 -0.112 87.5 109.9 93.4 -38.0 44.1 88.7 76.9 169 169 A F - 0 0 36 -24,-0.1 -23,-1.7 -2,-0.1 -4,-0.2 0.766 53.0-166.6 -42.8 -59.5 46.2 86.2 75.0 170 170 A G - 0 0 0 -6,-1.6 -23,-1.2 -25,-0.3 2,-0.4 0.010 22.4 -91.6 84.0 163.0 44.3 85.2 71.9 171 171 A Q E - i 0 147C 0 -28,-4.2 -26,-2.4 -26,-0.2 -23,-0.2 -0.950 15.2-160.2-126.0 150.4 45.0 82.4 69.7 172 172 A S E S- 0 0 2 -25,-4.4 2,-0.3 1,-0.4 -1,-0.2 0.953 82.8 -20.1 -77.8 -73.5 47.0 81.9 66.6 173 173 A T E - 0 0 0 -26,-0.3 -24,-1.4 -45,-0.2 2,-0.5 -0.926 61.0-136.2-135.2 157.0 45.3 78.7 65.4 174 174 A C E -Hi 127 149C 1 -47,-2.3 -47,-1.2 -2,-0.3 2,-0.7 -0.971 18.6-163.4-119.0 120.8 43.2 76.1 67.1 175 175 A V E -Hi 126 150C 1 -26,-4.4 -24,-2.2 -2,-0.5 2,-0.8 -0.885 15.1-179.3-120.7 118.4 43.8 72.6 66.5 176 176 A G E -Hi 125 151C 1 -51,-2.0 -51,-0.5 -2,-0.7 -24,-0.2 -0.879 5.1-172.7-107.1 101.8 41.5 69.7 67.2 177 177 A I - 0 0 5 -26,-1.5 -57,-0.5 -2,-0.8 7,-0.3 0.720 43.4-115.3 -67.0 -23.8 43.2 66.6 66.2 178 178 A G - 0 0 1 -27,-1.0 -55,-0.2 -26,-0.1 -1,-0.2 -0.214 16.2-102.0 105.0 161.3 40.1 64.6 66.9 179 179 A G S S+ 0 0 0 -57,-1.4 69,-1.5 -58,-0.2 -57,-0.1 0.236 74.1 116.6-108.4 10.4 39.6 61.8 69.4 180 180 A D S S- 0 0 3 -59,-0.8 -60,-0.1 67,-0.2 66,-0.0 -0.356 74.5-115.4 -73.0 157.2 39.8 58.5 67.5 181 181 A P S S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.756 105.6 44.6 -62.4 -26.7 42.6 56.1 68.2 182 182 A I S S- 0 0 4 -61,-0.0 2,-0.1 226,-0.0 -74,-0.1 -0.745 77.3-179.2-134.3 101.6 44.1 56.7 64.8 183 183 A P - 0 0 29 0, 0.0 3,-0.1 0, 0.0 -5,-0.1 -0.295 37.8-128.3 -94.5 164.9 44.4 60.1 63.5 184 184 A G S S+ 0 0 2 -64,-2.2 2,-0.3 -7,-0.3 -66,-0.2 0.827 99.7 19.6 -79.2 -30.5 45.6 61.7 60.4 185 185 A S S S- 0 0 0 -65,-0.3 -1,-0.2 -8,-0.3 -65,-0.2 -0.992 74.5-164.4-138.5 143.4 47.7 64.2 62.4 186 186 A N > - 0 0 45 -2,-0.3 4,-1.5 -3,-0.1 5,-0.3 -0.634 42.6 -75.4-124.8-176.9 49.0 63.9 65.8 187 187 A F H >> S+ 0 0 1 -2,-0.2 4,-2.5 1,-0.2 3,-2.2 0.911 127.5 42.8 -40.0 -73.6 50.6 66.0 68.5 188 188 A I H 3> S+ 0 0 34 1,-0.3 4,-2.4 2,-0.2 5,-0.4 0.869 103.0 63.3 -36.1 -71.8 53.9 66.2 66.9 189 189 A D H 34 S+ 0 0 38 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.709 118.5 30.2 -21.5 -46.0 52.8 66.7 63.4 190 190 A I H XX S+ 0 0 0 -3,-2.2 4,-2.1 -4,-1.5 3,-2.1 0.863 110.5 61.5 -87.2 -60.2 51.3 70.0 64.6 191 191 A L H 3X S+ 0 0 3 -4,-2.5 4,-2.9 -5,-0.3 5,-0.4 0.956 99.8 60.2 -33.9 -57.6 53.5 71.0 67.4 192 192 A E H 3X S+ 0 0 73 -4,-2.4 4,-1.2 1,-0.2 -1,-0.3 0.841 106.0 47.6 -39.1 -43.1 56.2 71.1 64.8 193 193 A M H X> S+ 0 0 50 -3,-2.1 3,-0.8 -5,-0.4 4,-0.5 0.978 110.1 50.1 -68.1 -54.9 54.2 73.8 63.0 194 194 A F H >< S+ 0 0 0 -4,-2.1 3,-5.0 1,-0.3 6,-0.3 0.960 104.8 58.8 -43.7 -58.1 53.5 75.8 66.0 195 195 A E H 3< S+ 0 0 33 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.873 111.6 42.8 -40.9 -40.7 57.2 75.7 66.8 196 196 A K H << S+ 0 0 148 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.379 89.1 107.0 -95.8 13.4 57.8 77.3 63.5 197 197 A D X< - 0 0 16 -3,-5.0 3,-2.1 -4,-0.5 -1,-0.1 -0.804 55.8-155.8-100.6 111.9 55.1 79.8 63.6 198 198 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.723 95.3 51.8 -43.3 -36.1 56.2 83.3 64.1 199 199 A Q T 3 S+ 0 0 70 -198,-0.2 2,-0.8 -3,-0.0 -197,-0.1 0.628 89.3 87.1 -82.3 -17.9 52.8 84.2 65.5 200 200 A T < + 0 0 2 -3,-2.1 -53,-0.2 -6,-0.3 -54,-0.1 -0.766 47.6 174.3 -89.9 109.8 52.6 81.4 68.0 201 201 A E - 0 0 89 -55,-2.2 2,-0.3 -2,-0.8 -54,-0.2 0.713 66.7 -11.8 -87.9 -23.3 54.2 82.6 71.2 202 202 A A E -j 147 0C 0 -56,-1.5 -54,-2.2 25,-0.2 2,-0.4 -0.967 69.7-122.0-167.3 165.0 53.3 79.6 73.3 203 203 A I E -jk 148 229C 2 25,-3.0 27,-2.4 -2,-0.3 2,-0.6 -0.953 4.2-149.7-130.9 150.0 51.2 76.6 73.2 204 204 A V E -jk 149 230C 1 -56,-3.5 -54,-2.1 -2,-0.4 2,-0.6 -0.890 19.1-163.4-110.5 120.5 48.5 74.7 74.9 205 205 A M E -jk 150 231C 4 25,-2.9 27,-2.9 -2,-0.6 2,-0.5 -0.845 7.0-171.8-106.0 127.5 48.5 71.1 74.6 206 206 A I E +jk 151 232C 0 -56,-2.8 -54,-1.4 -2,-0.6 2,-0.3 -0.966 17.1 135.3-126.8 136.4 45.5 69.1 75.4 207 207 A G E - k 0 233C 0 25,-2.2 27,-2.0 -2,-0.5 2,-0.2 -0.947 24.1-154.2-161.2 174.6 45.0 65.4 75.7 208 208 A E E - k 0 234C 0 1,-0.3 3,-0.4 25,-0.3 6,-0.2 -0.641 48.0 -39.7-141.2-167.2 43.5 62.6 77.6 209 209 A I S S+ 0 0 0 25,-1.1 -1,-0.3 -2,-0.2 48,-0.2 -0.110 91.9 81.8 -57.7 152.8 43.7 58.9 78.5 210 210 A G S S- 0 0 7 46,-1.8 42,-0.4 1,-0.2 -1,-0.2 -0.297 79.3 -9.9 154.5 -90.0 44.5 57.0 75.5 211 211 A G S S- 0 0 10 -3,-0.4 -1,-0.2 -2,-0.1 4,-0.1 0.085 74.2 -84.0-123.2-116.7 47.8 56.2 73.7 212 212 A S S >> S+ 0 0 15 2,-0.1 4,-0.7 43,-0.1 3,-0.6 0.451 88.1 113.7-127.5 -40.8 51.3 57.4 73.9 213 213 A A H 3> S+ 0 0 23 1,-0.3 4,-2.7 2,-0.2 -25,-0.2 0.586 81.3 43.3 5.6 -76.2 50.7 60.4 71.8 214 214 A E H >> S+ 0 0 0 2,-0.2 4,-2.0 -6,-0.2 3,-1.5 0.963 117.3 46.4 -44.7 -72.9 51.3 62.7 74.6 215 215 A E H <> S+ 0 0 35 -3,-0.6 4,-1.5 1,-0.3 -2,-0.2 0.906 111.8 52.6 -32.3 -69.3 54.4 60.7 75.8 216 216 A E H 3X S+ 0 0 81 -4,-0.7 4,-1.8 1,-0.2 -1,-0.3 0.861 110.1 49.4 -37.9 -44.9 55.7 60.6 72.3 217 217 A A H < S+ 0 0 47 -4,-1.8 3,-1.4 1,-0.3 5,-0.3 0.853 117.2 52.3 -27.3 -78.9 59.8 65.3 70.5 221 221 A I H >X S+ 0 0 8 -4,-1.9 3,-3.1 1,-0.3 4,-2.5 0.745 104.6 51.8 -20.5 -75.7 59.1 68.4 72.3 222 222 A K H 3< S+ 0 0 142 -4,-2.9 -1,-0.3 -3,-0.4 -2,-0.2 0.882 121.7 33.5 -36.8 -51.3 61.8 68.4 74.8 223 223 A E T << S+ 0 0 142 -4,-1.9 -1,-0.3 -3,-1.4 -2,-0.2 0.137 130.1 32.1-102.6 26.6 64.3 67.9 72.2 224 224 A H T <4 S+ 0 0 96 -3,-3.1 2,-0.4 1,-0.3 -3,-0.2 0.388 97.9 69.7-157.6 -1.9 62.6 69.9 69.4 225 225 A V < + 0 0 27 -4,-2.5 -1,-0.3 -5,-0.3 -33,-0.0 -0.996 38.3 179.0-134.4 132.3 60.6 72.8 70.4 226 226 A T + 0 0 117 -2,-0.4 -1,-0.1 -31,-0.1 -31,-0.0 0.855 58.8 89.5 -92.3 -50.3 61.7 76.1 71.9 227 227 A K S S- 0 0 40 -32,-0.1 2,-0.3 1,-0.1 -25,-0.2 -0.058 88.2 -98.4 -46.5 160.1 58.5 78.0 72.4 228 228 A P - 0 0 43 0, 0.0 -25,-3.0 0, 0.0 2,-0.5 -0.631 37.6-157.0 -86.2 142.1 56.8 77.4 75.8 229 229 A V E -k 203 0C 15 40,-0.3 42,-1.6 -2,-0.3 2,-0.5 -0.909 14.0-163.7-133.0 126.8 54.0 74.9 76.4 230 230 A V E -kl 204 271C 1 -27,-2.4 -25,-2.9 -2,-0.5 2,-0.4 -0.783 22.8-167.1 -96.7 130.3 51.4 74.5 78.8 231 231 A G E -kl 205 272C 1 40,-2.5 42,-2.6 -2,-0.5 2,-0.3 -0.931 13.1-175.9-125.1 148.9 49.8 71.1 78.9 232 232 A Y E -k 206 0C 5 -27,-2.9 -25,-2.2 -2,-0.4 2,-0.4 -1.000 8.0-157.8-141.2 141.2 46.7 69.4 80.4 233 233 A I E -k 207 0C 1 -2,-0.3 -25,-0.3 40,-0.3 2,-0.3 -0.966 6.7-151.6-126.5 124.1 45.3 65.9 80.5 234 234 A A E +k 208 0C 0 -27,-2.0 -25,-1.1 -2,-0.4 326,-0.1 -0.654 67.1 60.9 -88.5 138.8 41.7 64.7 81.0 235 235 A G > + 0 0 2 -2,-0.3 3,-1.5 324,-0.3 23,-0.5 0.570 45.6 135.3 121.7 20.3 41.0 61.3 82.6 236 236 A V T 3 S+ 0 0 52 1,-0.3 23,-0.1 -3,-0.3 -2,-0.1 0.961 83.6 41.5 -66.9 -40.2 42.4 61.1 86.0 237 237 A T T 3 S+ 0 0 32 322,-0.2 -1,-0.3 21,-0.0 -3,-0.0 0.363 91.5 132.3 -85.2 7.9 39.5 59.6 87.5 238 238 A A < - 0 0 20 -3,-1.5 20,-0.1 1,-0.1 2,-0.1 -0.351 55.1-120.7 -68.8 148.3 39.0 57.3 84.5 239 239 A P > - 0 0 34 0, 0.0 3,-0.5 0, 0.0 12,-0.5 -0.276 35.4 -91.0 -75.0 160.1 38.3 53.6 84.8 240 240 A K T 3 S- 0 0 139 1,-0.2 12,-0.1 10,-0.1 3,-0.1 -0.547 97.9 -6.9 -78.8 141.7 40.6 50.9 83.3 241 241 A G T 3 S+ 0 0 42 10,-0.9 2,-0.4 11,-0.3 -1,-0.2 0.873 94.2 127.5 40.2 63.1 39.8 49.7 79.8 242 242 A K < - 0 0 71 -3,-0.5 2,-0.6 7,-0.1 9,-0.4 -0.986 64.7-119.6-144.1 124.6 36.4 51.5 79.2 243 243 A R - 0 0 123 -2,-0.4 2,-1.3 7,-0.2 7,-0.2 -0.644 24.2-150.5 -72.3 116.8 35.9 53.6 76.3 244 244 A M - 0 0 2 5,-2.7 2,-2.4 -2,-0.6 -1,-0.1 -0.728 53.6 -78.0 -89.5 84.3 35.2 57.0 77.7 245 245 A G S S+ 0 0 8 -2,-1.3 2,-0.2 2,-0.1 -2,-0.1 -0.276 119.3 77.5 59.4 -82.8 32.9 58.3 75.1 246 246 A X S > S- 0 0 41 -2,-2.4 3,-2.7 1,-0.2 -2,-0.4 -0.395 86.6-129.7 -60.7 128.2 35.5 59.2 72.5 247 247 A A T 3 S+ 0 0 26 1,-0.3 -67,-0.2 -2,-0.2 -1,-0.2 0.771 104.5 52.4 -44.5 -44.2 36.5 56.0 70.9 248 248 A G T 3 S+ 0 0 1 -69,-1.5 2,-1.1 1,-0.1 -1,-0.3 0.296 87.7 96.8 -80.6 8.0 40.3 56.5 71.3 249 249 A A < + 0 0 0 -3,-2.7 -5,-2.7 -5,-0.1 2,-0.4 -0.658 55.4 113.2-100.9 83.7 39.8 57.2 75.0 250 250 A I - 0 0 54 -2,-1.1 2,-1.3 -7,-0.2 -7,-0.2 -0.963 66.7-119.0-154.8 140.3 40.5 54.0 76.7 251 251 A I - 0 0 6 -12,-0.5 -10,-0.9 -9,-0.4 3,-0.4 -0.523 35.9-169.4 -75.2 101.6 42.9 52.5 79.0 252 252 A A - 0 0 69 -2,-1.3 2,-1.6 3,-0.8 -11,-0.3 0.585 68.0 -12.3 -60.0-135.4 44.4 49.5 77.1 253 253 A G S S- 0 0 44 1,-0.3 -1,-0.3 -13,-0.1 3,-0.1 -0.512 121.2 -61.7 -70.2 95.4 46.5 47.1 79.0 254 254 A G S S+ 0 0 28 -2,-1.6 2,-0.4 -3,-0.4 3,-0.3 0.685 117.4 119.6 35.4 18.2 46.8 49.3 82.2 255 255 A K + 0 0 98 1,-0.2 -3,-0.8 -45,-0.1 -14,-0.2 -0.879 43.9 45.5-113.5 145.2 48.5 51.5 79.7 256 256 A G S S+ 0 0 0 -2,-0.4 -46,-1.8 -5,-0.2 -1,-0.2 0.670 71.6 170.2 99.4 28.1 47.5 55.1 78.7 257 257 A T > - 0 0 29 -3,-0.3 4,-2.6 -48,-0.2 5,-0.2 -0.352 43.7-123.4 -76.6 150.7 46.9 56.7 82.1 258 258 A A H > S+ 0 0 2 -23,-0.5 4,-2.3 1,-0.2 3,-0.4 0.956 111.9 46.9 -46.6 -69.3 46.3 60.3 82.9 259 259 A D H > S+ 0 0 78 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.851 107.5 54.5 -42.0 -56.8 49.2 60.4 85.3 260 260 A E H > S+ 0 0 66 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.944 110.4 49.4 -41.2 -56.7 51.6 58.7 83.1 261 261 A K H X S+ 0 0 0 -4,-2.6 4,-0.9 -3,-0.4 -1,-0.3 0.914 112.9 45.6 -49.8 -54.0 50.8 61.2 80.6 262 262 A F H >X S+ 0 0 1 -4,-2.3 3,-3.8 2,-0.2 4,-1.8 0.992 111.9 49.9 -52.2 -69.0 51.3 64.1 83.0 263 263 A A H 3X S+ 0 0 52 -4,-2.8 4,-2.2 1,-0.3 5,-0.3 0.903 106.4 58.9 -30.5 -64.8 54.5 62.8 84.5 264 264 A A H 3X S+ 0 0 29 -4,-3.0 4,-0.7 -5,-0.3 -1,-0.3 0.637 107.7 43.8 -41.6 -31.3 55.8 62.4 81.1 265 265 A L H X< S+ 0 0 2 -3,-3.8 3,-0.7 -4,-0.9 5,-0.2 0.927 105.8 57.3 -84.8 -49.2 55.4 66.0 80.1 266 266 A E H >< S+ 0 0 82 -4,-1.8 3,-1.5 1,-0.3 4,-0.3 0.881 106.4 54.4 -43.1 -44.2 56.7 67.6 83.1 267 267 A A H 3< S+ 0 0 71 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.887 101.5 55.2 -58.8 -43.2 59.8 65.6 82.4 268 268 A A T << S- 0 0 12 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.426 133.9 -98.0 -72.0 7.2 60.0 67.0 79.0 269 269 A G S < S+ 0 0 63 -3,-1.5 2,-0.4 1,-0.2 -40,-0.3 0.981 70.6 162.2 71.6 65.4 59.9 70.2 80.9 270 270 A V - 0 0 12 -4,-0.3 2,-1.4 -5,-0.2 -1,-0.2 -0.927 47.1-119.8-122.2 137.0 56.3 71.0 80.4 271 271 A K E -l 230 0C 72 -42,-1.6 -40,-2.5 -2,-0.4 2,-0.4 -0.583 40.4-159.9 -76.3 102.8 54.2 73.3 82.4 272 272 A T E -l 231 0C 32 -2,-1.4 2,-0.8 -42,-0.2 -40,-0.2 -0.639 8.6-156.4 -87.0 128.6 51.6 70.8 83.7 273 273 A V - 0 0 9 -42,-2.6 -40,-0.3 -2,-0.4 6,-0.1 -0.779 14.1-172.8-112.3 109.3 48.3 71.9 84.9 274 274 A R S S+ 0 0 112 -2,-0.8 2,-0.5 1,-0.1 -1,-0.2 0.931 78.1 57.9 -57.2 -41.4 46.4 69.7 87.3 275 275 A S > - 0 0 12 -3,-0.1 3,-2.3 1,-0.1 4,-0.2 -0.797 68.9-149.7-106.5 131.3 43.4 72.0 86.9 276 276 A L G > S+ 0 0 1 -2,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.863 96.8 61.4 -47.9 -51.2 41.7 72.8 83.9 277 277 A A G 3 S+ 0 0 22 1,-0.3 4,-0.5 2,-0.1 -1,-0.3 0.584 94.9 70.4 -57.8 -10.3 40.6 76.3 85.0 278 278 A D G <> + 0 0 68 -3,-2.3 4,-2.2 1,-0.2 5,-0.5 0.516 61.7 95.7 -94.9 -4.7 44.3 77.1 85.3 279 279 A I H <> S+ 0 0 0 -3,-1.7 4,-2.3 -4,-0.2 5,-0.2 0.951 88.4 47.9 -51.5 -53.2 45.4 77.3 81.8 280 280 A G H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 3,-0.5 0.983 117.6 45.9 -47.3 -62.0 44.9 81.0 81.6 281 281 A E H >> S+ 0 0 89 -4,-0.5 3,-1.5 1,-0.3 4,-1.1 0.897 110.1 48.1 -38.8 -85.5 46.8 81.2 84.8 282 282 A A H 3X S+ 0 0 7 -4,-2.2 4,-1.4 1,-0.3 5,-0.3 0.781 111.3 55.0 -26.9 -46.1 49.7 78.9 84.1 283 283 A L H 3X S+ 0 0 0 -4,-2.3 4,-4.7 -3,-0.5 5,-0.3 0.970 93.8 65.6 -55.3 -58.9 50.1 80.7 81.0 284 284 A K H < S+ 0 0 75 -4,-1.1 3,-2.6 2,-0.3 -2,-0.2 0.963 116.6 38.4 -55.0 -90.4 53.5 82.8 84.0 286 286 A V H 3< S+ 0 0 54 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.733 120.0 56.0 -36.7 -22.9 55.2 81.1 81.3 287 287 A L H 3< 0 0 21 -4,-4.7 -1,-0.3 -5,-0.3 -2,-0.3 0.843 360.0 360.0 -85.8 -30.1 53.8 83.9 79.2 288 288 A K << 0 0 225 -3,-2.6 -2,-0.1 -4,-2.6 -3,-0.1 0.958 360.0 360.0 -52.0 360.0 55.3 86.9 81.1 289 !* 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 0.0 290 1 B M 0 0 36 0, 0.0 217,-3.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 142.8 32.1 44.5 71.6 291 2 B N B -M 506 0D 77 215,-0.2 232,-0.4 232,-0.1 2,-0.2 -0.697 360.0-152.5 -94.2 159.4 33.2 41.4 73.3 292 3 B L - 0 0 10 213,-1.3 213,-0.3 -2,-0.3 2,-0.2 -0.707 22.7 -97.5-112.8 173.9 32.1 38.0 72.2 293 4 B H >> - 0 0 5 -2,-0.2 4,-3.2 228,-0.2 3,-0.6 -0.474 29.0-115.9 -89.6 153.0 31.8 34.8 74.1 294 5 B E H 3> S+ 0 0 9 44,-0.3 4,-3.2 1,-0.3 5,-0.2 0.961 118.0 52.6 -48.9 -49.0 34.3 32.1 74.2 295 6 B Y H 3> S+ 0 0 27 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.784 107.6 48.8 -59.9 -31.7 31.9 29.9 72.5 296 7 B Q H <> S+ 0 0 1 -3,-0.6 4,-1.4 2,-0.2 -1,-0.3 0.849 110.5 52.1 -79.7 -31.2 31.3 32.3 69.7 297 8 B A H >X S+ 0 0 0 -4,-3.2 4,-2.9 2,-0.2 3,-0.8 0.976 109.2 48.4 -65.4 -50.6 34.8 32.8 69.2 298 9 B K H 3X S+ 0 0 16 -4,-3.2 4,-2.6 1,-0.3 -2,-0.2 0.920 107.7 57.4 -53.8 -42.7 35.5 29.1 68.9 299 10 B Q H 3X S+ 0 0 53 -4,-1.8 4,-2.5 1,-0.3 -1,-0.3 0.817 108.5 45.4 -59.2 -32.1 32.6 28.8 66.6 300 11 B L H X>S+ 0 0 2 -4,-2.9 5,-3.7 2,-0.2 4,-1.6 0.934 109.9 47.9 -51.1 -44.3 37.6 29.8 64.5 302 13 B A H ><5S+ 0 0 58 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.984 103.5 58.3 -60.3 -58.2 36.0 26.8 63.3 303 14 B R H 3<5S+ 0 0 140 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.828 114.6 42.2 -43.7 -24.9 34.2 28.6 60.6 304 15 B Y H <<5S- 0 0 64 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.3 0.757 123.8-100.3-100.6 -16.9 37.6 29.5 59.6 305 16 B G T <<5S+ 0 0 50 -4,-1.6 -3,-0.3 -3,-1.3 -2,-0.1 0.522 70.4 143.4 114.7 13.0 39.4 26.3 60.0 306 17 B L < - 0 0 14 -5,-3.7 2,-0.4 -6,-0.2 -1,-0.4 -0.623 51.7-107.1 -90.7 156.1 41.0 26.9 63.2 307 18 B P + 0 0 41 0, 0.0 193,-2.4 0, 0.0 -1,-0.1 -0.625 48.2 147.0 -85.1 130.9 41.4 24.2 65.7 308 19 B A - 0 0 30 -2,-0.4 193,-0.1 191,-0.2 3,-0.1 -0.936 46.5 -80.3-151.9 169.0 39.5 24.0 68.8 309 20 B P - 0 0 20 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.025 49.2 -99.6 -65.5 168.7 38.0 21.5 71.2 310 21 B V + 0 0 80 80,-0.1 79,-2.5 17,-0.1 2,-0.3 -0.878 63.5 147.1 -93.6 135.7 34.9 19.8 70.6 311 22 B G E -S 388 0E 30 -2,-0.5 2,-0.4 77,-0.3 77,-0.3 -0.973 38.3-146.4-165.8 167.0 32.3 21.5 72.5 312 23 B Y E -S 387 0E 83 75,-2.2 75,-1.5 -2,-0.3 2,-0.7 -0.994 20.9-129.6-147.5 133.1 28.7 22.6 72.9 313 24 B A E -S 386 0E 35 -2,-0.4 2,-0.3 73,-0.2 73,-0.3 -0.740 31.5-158.8 -87.8 119.3 27.2 25.6 74.5 314 25 B C E -S 385 0E 3 71,-4.3 71,-1.8 -2,-0.7 4,-0.0 -0.718 27.4-177.8-105.1 155.3 24.6 24.7 76.8 315 26 B T S S+ 0 0 29 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.520 75.3 33.8-117.0 -17.2 21.7 26.5 78.2 316 27 B T S > S- 0 0 25 1,-0.1 4,-3.2 69,-0.1 -1,-0.3 -0.992 81.0-114.7-142.5 149.2 20.2 24.0 80.5 317 28 B P H > S+ 0 0 2 0, 0.0 4,-4.1 0, 0.0 5,-0.3 0.887 116.7 60.4 -51.3 -35.2 21.7 21.3 82.6 318 29 B R H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.989 107.9 40.9 -62.8 -56.7 20.0 18.9 80.4 319 30 B E H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.914 115.8 53.5 -54.0 -40.9 21.8 20.0 77.3 320 31 B A H X S+ 0 0 1 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.996 109.8 45.2 -56.5 -59.3 24.9 20.3 79.2 321 32 B E H < S+ 0 0 41 -4,-4.1 4,-0.4 1,-0.2 -1,-0.2 0.764 110.0 57.8 -61.1 -13.6 24.6 16.8 80.5 322 33 B E H >< S+ 0 0 63 -4,-2.0 3,-1.3 -5,-0.3 -1,-0.2 0.968 94.9 63.6 -80.5 -41.2 23.7 15.7 77.0 323 34 B A H >X S+ 0 0 0 -4,-2.5 3,-3.7 1,-0.3 4,-2.1 0.812 84.7 75.9 -48.8 -39.8 26.9 17.0 75.4 324 35 B A H 3X S+ 0 0 0 -4,-1.0 4,-1.3 1,-0.3 -1,-0.3 0.873 101.8 38.1 -40.8 -50.6 29.2 14.7 77.3 325 36 B S H <4 S+ 0 0 70 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.275 111.6 59.6 -88.6 11.4 28.3 11.7 75.3 326 37 B K H <4 S+ 0 0 60 -3,-3.7 -2,-0.2 -4,-0.2 -1,-0.2 0.558 114.0 40.1-101.2 -21.0 28.2 13.8 72.1 327 38 B I H < S- 0 0 32 -4,-2.1 2,-0.3 1,-0.3 -2,-0.3 0.590 109.8-145.9 -97.8 -26.7 31.7 14.5 73.0 328 39 B G < + 0 0 33 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 -0.634 54.0 30.1 99.8-156.9 32.5 11.1 74.1 329 40 B A S S- 0 0 94 -2,-0.3 -4,-0.0 -4,-0.1 -3,-0.0 -0.159 84.6-102.7 -48.2 131.1 34.7 9.7 76.7 330 41 B G S S+ 0 0 29 23,-0.1 2,-0.2 59,-0.1 23,-0.1 0.073 78.3 90.5 -61.4-175.6 35.2 11.9 79.7 331 42 B P - 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