==== 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 HYDROLASE 06-MAY-07 2Z00 . COMPND 2 MOLECULE: DIHYDROOROTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.KANAGAWA,S.BABA,S.KURAMITSU,S.YOKOYAMA,G.KAWAI,G.SAMPEI,RI . 426 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 36 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.8 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 2 2 0 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 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 0 PARALLEL BRIDGES PER LADDER . 2 1 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 2 0 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 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 0 125 0, 0.0 37,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 120.0 40.8 46.5 130.4 2 2 A I E -Ab 23 38A 10 21,-2.4 21,-3.2 35,-0.1 2,-0.5 -0.956 360.0-150.2-134.9 146.9 39.1 46.8 127.1 3 3 A L E -Ab 22 39A 8 35,-2.6 37,-3.4 -2,-0.3 2,-0.7 -0.972 7.5-166.8-119.3 121.1 35.5 47.1 125.8 4 4 A I E -Ab 21 40A 1 17,-2.8 17,-3.1 -2,-0.5 3,-0.4 -0.927 18.5-156.8-108.4 112.7 34.6 45.8 122.3 5 5 A R E + b 0 41A 116 35,-2.6 37,-2.1 -2,-0.7 15,-0.2 -0.613 58.9 1.7 -96.7 151.0 31.2 47.0 121.2 6 6 A N E S+ 0 0 71 -2,-0.2 38,-0.5 1,-0.2 2,-0.4 0.851 88.7 147.6 48.5 46.8 28.6 45.7 118.7 7 7 A V E -A 19 0A 0 12,-2.6 12,-2.0 -3,-0.4 39,-0.2 -0.861 48.1-121.3-115.1 145.9 30.7 42.6 117.8 8 8 A R E - c 0 46A 67 37,-2.2 39,-3.1 34,-0.4 2,-0.5 -0.525 23.9-139.4 -79.7 150.3 29.7 39.1 116.8 9 9 A L E +Ac 16 47A 4 7,-2.4 7,-2.6 37,-0.2 2,-0.4 -0.941 22.6 178.4-113.4 131.2 30.9 36.2 118.9 10 10 A V E +A 15 0A 0 37,-2.7 2,-0.3 -2,-0.5 5,-0.2 -0.916 14.6 138.3-141.6 115.0 32.1 33.0 117.3 11 11 A D E > S-A 14 0A 0 3,-1.6 3,-2.2 -2,-0.4 342,-0.2 -0.794 70.5 -75.3-135.2-180.0 33.4 29.8 118.8 12 12 A A T 3 S+ 0 0 14 1,-0.3 3,-0.1 -2,-0.3 341,-0.1 0.742 126.2 62.2 -50.4 -27.3 32.9 26.1 118.1 13 13 A R T 3 S- 0 0 122 1,-0.3 -1,-0.3 340,-0.0 2,-0.3 0.696 116.9 -85.2 -75.2 -20.4 29.5 26.3 119.8 14 14 A G E < -A 11 0A 8 -3,-2.2 -3,-1.6 335,-0.1 2,-0.4 -0.838 47.2 -58.1 143.0 179.1 28.0 28.8 117.4 15 15 A E E +A 10 0A 98 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.2 -0.842 51.6 166.2-101.9 133.9 27.6 32.5 116.4 16 16 A R E +A 9 0A 85 -7,-2.6 -7,-2.4 -2,-0.4 3,-0.2 -0.770 26.5 1.9-134.5 179.6 26.0 34.9 118.8 17 17 A G E - 0 0 47 1,-0.3 2,-0.2 -2,-0.2 -9,-0.2 -0.373 38.5-133.1 82.8-165.3 25.7 38.7 119.3 18 18 A P E S+ 0 0 85 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.407 70.3 157.1 -48.8 146.7 26.2 41.5 118.2 19 19 A A E -A 7 0A 20 -12,-2.0 -12,-2.6 -2,-0.2 2,-0.6 -0.964 49.2-113.0-151.3 163.4 27.3 42.1 121.8 20 20 A D E -i 32 0B 45 11,-0.5 13,-2.3 -2,-0.3 2,-0.5 -0.920 33.7-158.6-103.5 118.0 29.5 44.3 123.9 21 21 A V E -A 4 0A 0 -17,-3.1 -17,-2.8 -2,-0.6 2,-0.6 -0.872 4.2-159.1-104.2 123.4 32.4 42.4 125.4 22 22 A L E -AD 3 30A 19 8,-3.0 8,-1.8 -2,-0.5 7,-1.7 -0.892 11.1-171.6-102.7 122.5 34.2 43.7 128.5 23 23 A I E +AD 2 28A 3 -21,-3.2 -21,-2.4 -2,-0.6 2,-0.3 -0.940 21.7 130.0-116.6 133.3 37.7 42.3 129.0 24 24 A G E > + D 0 27A 3 3,-2.4 3,-2.1 -2,-0.4 352,-0.1 -0.963 53.6 36.0-172.4 159.6 39.8 42.8 132.1 25 25 A E T 3 S- 0 0 146 1,-0.3 3,-0.1 -2,-0.3 393,-0.1 0.791 127.8 -65.8 58.5 26.3 41.9 41.1 134.7 26 26 A G T 3 S+ 0 0 22 1,-0.2 350,-2.3 392,-0.1 -1,-0.3 0.632 119.3 87.3 71.9 14.2 43.0 38.8 131.9 27 27 A R E < S-DE 24 375A 94 -3,-2.1 -3,-2.4 348,-0.3 2,-1.0 -0.862 90.8 -94.9-137.2 170.5 39.5 37.4 131.5 28 28 A I E -D 23 0A 1 346,-2.3 345,-3.5 343,-0.3 346,-0.3 -0.803 42.6-178.5 -86.6 104.7 36.2 38.0 129.7 29 29 A L E + 0 0 49 -7,-1.7 2,-0.3 -2,-1.0 -6,-0.2 0.885 59.1 1.1 -75.2 -40.1 34.5 39.9 132.5 30 30 A S E -D 22 0A 21 -8,-1.8 -8,-3.0 -3,-0.1 -1,-0.2 -1.000 35.2-165.8-153.8 149.4 31.1 40.5 130.7 31 31 A L S S+ 0 0 31 -2,-0.3 -11,-0.5 -10,-0.2 3,-0.1 0.211 93.9 65.2-112.2 7.7 29.2 39.8 127.5 32 32 A E B S-i 20 0B 169 1,-0.5 -11,-0.2 -13,-0.1 -1,-0.1 -0.067 111.6-102.4-119.5 29.3 26.6 42.4 128.4 33 33 A G - 0 0 11 -13,-2.3 -1,-0.5 -3,-0.2 2,-0.3 -0.264 42.8-178.8 84.4-170.6 28.9 45.4 128.3 34 34 A G - 0 0 42 -13,-0.1 2,-0.4 -3,-0.1 -13,-0.0 -0.961 36.6 -60.8 159.1-169.8 30.5 47.5 131.0 35 35 A E + 0 0 180 -2,-0.3 2,-0.3 -33,-0.0 3,-0.1 -0.913 52.1 152.0-113.2 134.7 32.7 50.5 131.5 36 36 A A - 0 0 28 -2,-0.4 -34,-0.1 1,-0.1 -2,-0.1 -0.987 44.0-137.6-155.1 149.2 36.2 50.9 130.1 37 37 A K S S+ 0 0 219 -2,-0.3 2,-0.7 -36,-0.2 -35,-0.1 0.775 97.1 63.8 -78.1 -28.1 38.5 53.8 129.0 38 38 A Q E S+b 2 0A 94 -37,-0.6 -35,-2.6 -3,-0.1 2,-0.5 -0.870 71.2 178.8-102.0 109.3 39.6 51.8 126.0 39 39 A V E -b 3 0A 76 -2,-0.7 2,-0.5 -37,-0.2 -35,-0.2 -0.945 12.4-163.5-119.1 126.1 36.7 51.1 123.6 40 40 A V E -b 4 0A 12 -37,-3.4 -35,-2.6 -2,-0.5 2,-1.0 -0.913 17.3-138.3-109.8 126.8 36.9 49.3 120.3 41 41 A D E +b 5 0A 119 -2,-0.5 -35,-0.1 -37,-0.2 -37,-0.1 -0.735 24.2 177.8 -83.3 104.8 34.1 49.6 117.8 42 42 A G > + 0 0 0 -37,-2.1 3,-2.3 -2,-1.0 -34,-0.4 0.080 18.8 152.5 -96.8 23.9 33.8 46.0 116.5 43 43 A T T 3 S+ 0 0 77 1,-0.3 -36,-0.2 -36,-0.1 3,-0.1 -0.301 75.1 7.3 -56.0 129.4 30.9 46.6 114.2 44 44 A G T 3 S+ 0 0 39 -38,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.313 112.9 102.8 81.1 -10.5 30.9 44.1 111.3 45 45 A C < - 0 0 13 -3,-2.3 -37,-2.2 -39,-0.3 2,-0.4 -0.522 59.7-143.0 -99.3 168.3 33.7 42.2 113.0 46 46 A F E -cF 8 381A 1 335,-1.6 335,-2.7 -39,-0.2 2,-0.4 -0.988 7.1-138.4-134.1 146.1 33.6 38.9 115.0 47 47 A L E +cF 9 380A 4 -39,-3.1 -37,-2.7 -2,-0.4 333,-0.2 -0.824 24.8 176.7-102.4 140.0 35.6 37.8 118.0 48 48 A A E - F 0 379A 0 331,-2.5 331,-2.3 -2,-0.4 -37,-0.2 -0.934 38.3 -88.8-138.6 161.7 36.9 34.3 118.3 49 49 A P E - F 0 378A 0 0, 0.0 329,-0.3 0, 0.0 327,-0.1 -0.396 64.3 -83.2 -67.1 151.3 39.1 32.4 120.8 50 50 A G - 0 0 0 327,-3.0 31,-0.2 365,-0.1 318,-0.1 -0.250 52.7-115.1 -55.1 141.0 42.8 32.7 120.1 51 51 A F E -j 81 0C 0 29,-2.5 31,-2.3 -3,-0.1 32,-1.5 -0.314 20.9-150.2 -76.8 162.9 43.9 30.3 117.5 52 52 A L E -j 83 0C 0 303,-2.2 2,-0.5 29,-0.2 32,-0.2 -0.978 4.6-151.0-137.1 120.3 46.4 27.4 118.0 53 53 A D E -j 84 0C 0 30,-1.9 32,-2.5 -2,-0.4 3,-0.2 -0.824 6.5-168.3 -96.5 126.1 48.7 26.1 115.3 54 54 A L E S+ 0 0 1 -2,-0.5 2,-0.2 249,-0.3 -1,-0.1 0.536 77.6 41.1 -85.9 -8.5 49.7 22.4 115.6 55 55 A H E + 0 0 0 32,-0.1 251,-2.5 2,-0.0 252,-1.2 -0.626 65.1 143.6-149.4 86.2 52.4 22.6 112.9 56 56 A A E -jk 86 307C 0 29,-2.1 31,-2.3 250,-0.2 2,-0.9 -0.982 33.9-149.6-129.4 130.4 54.9 25.5 112.6 57 57 A H + 0 0 7 250,-2.8 29,-0.1 -2,-0.4 -2,-0.0 -0.840 16.4 179.2 -96.6 105.4 58.6 25.4 111.7 58 58 A L - 0 0 5 -2,-0.9 14,-0.2 29,-0.3 -1,-0.1 0.415 31.2-134.0 -91.9 13.4 60.3 28.3 113.4 59 59 A R > + 0 0 15 1,-0.1 4,-1.9 7,-0.1 7,-0.2 0.435 51.8 149.7 39.6 30.6 63.9 27.7 112.2 60 60 A E T 4 + 0 0 25 2,-0.2 -2,-0.2 3,-0.2 -1,-0.1 -0.909 45.8 33.7-138.1 136.8 65.4 28.2 115.6 61 61 A P T 4 S+ 0 0 47 0, 0.0 30,-2.3 0, 0.0 -2,-0.1 0.527 131.8 6.7 -84.2 163.2 67.9 26.9 116.7 62 62 A G T 4 S+ 0 0 43 28,-0.2 -2,-0.2 -2,-0.1 3,-0.1 -0.139 123.9 49.8 102.9 -40.6 70.3 26.6 113.8 63 63 A E >X + 0 0 42 -4,-1.9 3,-2.6 4,-0.1 4,-1.1 -0.158 54.8 147.4-129.9 43.8 68.7 28.4 110.9 64 64 A E T 34 + 0 0 72 1,-0.3 -1,-0.1 2,-0.2 -4,-0.1 0.705 66.3 72.0 -50.0 -25.1 67.6 31.8 112.3 65 65 A V T 34 S+ 0 0 109 1,-0.2 -1,-0.3 -6,-0.1 3,-0.1 0.835 102.3 42.8 -63.3 -30.1 68.3 33.3 108.8 66 66 A K T <4 S- 0 0 14 -3,-2.6 2,-0.3 1,-0.4 330,-0.2 0.856 137.5 -42.0 -80.1 -37.8 65.1 31.6 107.6 67 67 A E < - 0 0 0 -4,-1.1 -1,-0.4 -8,-0.2 2,-0.3 -0.933 55.7-166.7-174.7 168.9 63.1 32.4 110.7 68 68 A D > - 0 0 17 -2,-0.3 4,-3.2 -3,-0.1 5,-0.3 -0.918 46.1 -86.7-158.9 178.8 63.4 32.5 114.5 69 69 A L H > S+ 0 0 1 -2,-0.3 4,-2.3 1,-0.2 5,-0.3 0.842 122.6 58.7 -61.0 -33.1 61.2 32.8 117.5 70 70 A F H > S+ 0 0 111 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.958 118.5 27.7 -60.1 -54.6 61.3 36.6 117.3 71 71 A S H > S+ 0 0 10 2,-0.2 4,-2.5 3,-0.1 -2,-0.2 0.874 123.0 53.1 -76.4 -38.4 59.8 36.7 113.8 72 72 A G H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -3,-0.2 0.897 110.2 43.1 -65.8 -45.5 57.9 33.5 114.0 73 73 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 40,-0.6 0.771 115.2 51.7 -74.1 -23.7 55.9 34.2 117.2 74 74 A L H X S+ 0 0 62 -4,-0.8 4,-2.2 -5,-0.3 5,-0.2 0.930 109.5 48.5 -74.8 -47.8 55.2 37.7 116.0 75 75 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.894 109.0 57.9 -57.2 -37.9 53.9 36.4 112.7 76 76 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.6 1,-0.2 3,-0.7 0.947 107.0 43.4 -59.1 -52.5 51.8 34.0 114.8 77 77 A V H ><5S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.861 111.1 55.5 -64.5 -33.5 50.0 36.7 116.8 78 78 A R H 3<5S+ 0 0 75 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.760 106.6 52.7 -68.4 -22.2 49.5 38.7 113.6 79 79 A G T <<5S- 0 0 0 -4,-1.2 254,-0.3 -3,-0.7 -1,-0.3 0.443 127.9-100.7 -90.5 -1.4 47.8 35.6 112.2 80 80 A G T < 5S+ 0 0 0 -3,-1.3 -29,-2.5 1,-0.3 2,-0.4 0.458 76.6 139.5 97.3 2.3 45.5 35.4 115.2 81 81 A Y E < +j 51 0C 0 -5,-2.6 -1,-0.3 -31,-0.2 -29,-0.2 -0.684 25.7 171.9 -87.6 130.7 47.4 32.6 117.0 82 82 A T E S+ 0 0 0 -31,-2.3 32,-2.4 -2,-0.4 2,-0.3 0.426 77.4 39.3-107.2 -8.2 47.8 32.9 120.8 83 83 A D E -jl 52 114C 5 -32,-1.5 -30,-1.9 30,-0.2 2,-0.3 -0.998 67.5-180.0-144.6 140.2 49.3 29.4 120.9 84 84 A L E -jl 53 115C 0 30,-2.5 32,-3.0 -2,-0.3 2,-0.6 -0.998 21.3-144.0-148.5 141.5 51.7 27.6 118.7 85 85 A V E - 0 0 0 -32,-2.5 -29,-2.1 -2,-0.3 2,-0.3 -0.910 21.7-148.8-106.2 115.1 53.5 24.2 118.4 86 86 A S E -j 56 0C 5 -2,-0.6 32,-2.0 30,-0.3 -29,-0.2 -0.619 14.4-126.6 -84.7 139.6 57.0 24.3 117.1 87 87 A X - 0 0 4 -31,-2.3 -29,-0.3 -2,-0.3 33,-0.1 -0.429 11.1-133.4 -80.7 157.4 58.4 21.4 115.1 88 88 A P S S+ 0 0 0 0, 0.0 2,-2.2 0, 0.0 6,-1.8 0.428 72.0 107.8 -95.9 5.5 61.6 19.8 116.1 89 89 A N + 0 0 38 58,-0.2 2,-0.1 4,-0.2 -2,-0.1 -0.194 53.4 130.0 -77.6 52.0 63.5 19.4 112.7 90 90 A T S S- 0 0 6 -2,-2.2 -28,-0.2 2,-0.2 -30,-0.1 -0.181 71.0 -65.7 -91.8-173.6 66.0 22.2 113.7 91 91 A K S S+ 0 0 120 -30,-2.3 -2,-0.1 1,-0.4 3,-0.0 -0.848 135.6 11.4-119.2 96.1 69.8 22.3 113.6 92 92 A P S S- 0 0 93 0, 0.0 -1,-0.4 0, 0.0 -2,-0.2 0.592 114.3-107.7 -84.2 167.4 70.3 20.2 115.7 93 93 A P - 0 0 21 0, 0.0 2,-1.3 0, 0.0 -4,-0.2 -0.145 30.8-106.1 -56.4 148.1 66.8 18.6 116.2 94 94 A V S S+ 0 0 2 -6,-1.8 26,-2.5 1,-0.2 31,-0.0 -0.641 70.5 131.4 -78.1 94.9 64.9 19.3 119.4 95 95 A D + 0 0 24 -2,-1.3 -1,-0.2 24,-0.2 41,-0.1 0.221 48.8 71.4-132.1 13.9 65.4 16.0 121.2 96 96 A T S > S- 0 0 49 1,-0.1 4,-1.9 -3,-0.1 3,-0.2 -0.941 79.2-119.7-131.5 153.9 66.5 16.9 124.7 97 97 A P H > S+ 0 0 12 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.912 113.9 54.2 -56.5 -43.6 64.9 18.5 127.8 98 98 A E H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.863 106.4 50.4 -60.5 -38.5 67.3 21.4 127.7 99 99 A A H > S+ 0 0 29 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.898 112.4 48.4 -67.1 -38.4 66.6 22.2 124.1 100 100 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.925 112.2 48.3 -66.1 -44.7 62.9 22.2 124.9 101 101 A R H X S+ 0 0 105 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.902 107.5 55.5 -63.5 -41.4 63.4 24.4 128.0 102 102 A A H X S+ 0 0 53 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.934 109.5 46.3 -57.5 -47.9 65.5 26.9 126.0 103 103 A L H X S+ 0 0 11 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.939 113.9 48.6 -60.5 -47.1 62.7 27.4 123.5 104 104 A K H X S+ 0 0 76 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.863 109.4 52.5 -62.3 -37.2 60.1 27.8 126.2 105 105 A E H X S+ 0 0 135 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.911 111.2 46.0 -66.3 -43.1 62.2 30.3 128.2 106 106 A K H X S+ 0 0 56 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.924 110.0 53.8 -66.2 -43.8 62.7 32.5 125.2 107 107 A A H X>S+ 0 0 8 -4,-2.4 4,-1.2 1,-0.2 5,-0.5 0.913 110.1 49.6 -61.6 -23.3 59.0 32.3 124.2 108 108 A K H <5S+ 0 0 179 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.919 108.5 50.1 -87.2 -29.6 58.1 33.4 127.7 109 109 A A H <5S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.834 110.1 51.3 -71.8 -34.8 60.5 36.3 127.7 110 110 A L H <5S- 0 0 43 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.764 91.7-153.4 -71.7 -28.4 59.1 37.6 124.4 111 111 A G T <5 + 0 0 20 -4,-1.2 -3,-0.1 -5,-0.2 3,-0.1 0.847 53.5 109.6 49.4 38.9 55.5 37.4 125.6 112 112 A L S S-R 130 0E 0 8,-0.3 3,-2.9 23,-0.1 8,-0.3 -0.927 105.1 -80.5-126.5 151.3 63.8 9.5 117.7 123 123 A E G > S- 0 0 86 6,-2.8 3,-2.4 -2,-0.3 5,-0.3 -0.196 115.9 -7.2 -51.4 131.7 67.3 11.0 118.5 124 124 A K G 3 S- 0 0 98 1,-0.3 -1,-0.3 -31,-0.2 -30,-0.1 0.653 114.5 -88.2 52.4 16.5 68.3 13.5 115.8 125 125 A Q G < S+ 0 0 7 -3,-2.9 -1,-0.3 4,-0.2 -2,-0.2 0.854 93.1 136.7 51.7 37.7 65.1 12.3 114.1 126 126 A E < - 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0 0 173 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.178 68.7 -39.9 45.7-126.5 61.2 8.2 95.5 183 183 A N T 3 S+ 0 0 145 16,-0.1 -1,-0.2 -3,-0.1 17,-0.1 -0.063 83.7 164.8-123.3 52.2 62.3 11.6 94.8 184 184 A G < - 0 0 4 -3,-1.9 15,-0.2 15,-0.2 16,-0.1 -0.423 23.4-168.4 -62.7 136.9 59.2 13.1 93.5 185 185 A V S S+ 0 0 13 13,-2.1 2,-0.3 -2,-0.1 93,-0.3 0.504 72.6 11.4 -97.7 -21.7 59.2 16.9 93.4 186 186 A X E S-s 199 0F 3 12,-1.0 14,-2.7 91,-0.1 2,-0.1 -0.912 103.8 -55.8-143.0 178.0 55.4 17.3 92.6 187 187 A N E -s 200 0F 9 95,-0.5 5,-0.3 -2,-0.3 2,-0.2 -0.356 58.5-119.9 -61.1 132.4 52.2 15.1 92.6 188 188 A D + 0 0 59 12,-1.9 3,-0.1 11,-0.1 -1,-0.1 -0.497 66.3 75.4 -76.3 143.9 52.5 12.1 90.4 189 189 A G S > S- 0 0 18 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.949 95.9 -36.6 149.9-168.5 50.1 11.7 87.5 190 190 A P H > S+ 0 0 113 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.892 130.6 52.2 -52.7 -46.6 49.3 13.1 84.0 191 191 A L H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.907 107.1 52.7 -59.5 -42.6 50.4 16.7 84.8 192 192 A A H >>S+ 0 0 0 -5,-0.3 5,-2.5 1,-0.2 4,-0.6 0.914 112.0 46.3 -59.3 -42.6 53.7 15.5 86.2 193 193 A D H ><5S+ 0 0 119 -4,-1.9 3,-0.7 2,-0.2 -2,-0.2 0.903 110.3 53.0 -66.3 -41.7 54.3 13.6 82.9 194 194 A L H 3<5S+ 0 0 125 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.883 113.9 43.0 -60.7 -38.5 53.2 16.7 80.9 195 195 A L H 3<5S- 0 0 29 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.514 109.2-124.4 -86.3 -5.3 55.7 18.8 82.7 196 196 A G T <<5 + 0 0 65 -3,-0.7 -3,-0.2 -4,-0.6 -4,-0.1 0.869 62.7 139.7 65.0 37.6 58.5 16.2 82.6 197 197 A L < - 0 0 19 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.873 61.9-101.9-115.5 146.4 58.9 16.2 86.3 198 198 A P - 0 0 61 0, 0.0 -13,-2.1 0, 0.0 -12,-1.0 -0.488 46.3-134.1 -65.7 125.9 59.6 13.2 88.7 199 199 A G E -s 186 0F 17 -2,-0.3 -15,-0.2 -15,-0.2 -12,-0.2 -0.568 12.1-148.5 -90.5 148.3 56.3 12.4 90.4 200 200 A N E -s 187 0F 3 -14,-2.7 -12,-1.9 -2,-0.2 -19,-0.2 -0.932 32.0-128.7-110.2 103.1 55.5 11.7 94.0 201 201 A P >> - 0 0 15 0, 0.0 3,-2.2 0, 0.0 4,-0.6 -0.258 1.6-142.2 -56.3 129.2 52.6 9.2 94.0 202 202 A P H >> S+ 0 0 24 0, 0.0 4,-1.8 0, 0.0 3,-0.9 0.783 104.0 68.8 -63.2 -20.3 49.6 10.3 96.2 203 203 A E H 3> S+ 0 0 112 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.707 84.5 69.4 -68.6 -18.4 49.5 6.5 96.8 204 204 A A H <> S+ 0 0 0 -3,-2.2 -27,-1.8 2,-0.2 4,-1.4 0.868 103.4 42.9 -66.8 -34.3 52.7 7.0 98.7 205 205 A E H X S+ 0 0 55 -4,-2.0 4,-1.9 1,-0.2 3,-0.8 0.956 110.8 50.9 -60.5 -51.9 50.3 1.0 107.4 212 212 A D H 3X S+ 0 0 3 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.806 103.5 58.3 -58.6 -33.0 50.2 3.4 110.4 213 213 A L H 3X S+ 0 0 8 -4,-2.2 4,-1.3 2,-0.2 -1,-0.3 0.858 108.2 46.6 -67.3 -32.5 46.6 2.7 111.2 214 214 A E H -pq 173 255D 4 23,-3.0 25,-1.9 -2,-0.5 3,-0.5 -0.759 21.6-146.1 -88.0 115.9 48.4 12.4 110.8 232 232 A Q T 3 - 0 0 2 -59,-2.2 -57,-0.3 -2,-0.7 26,-0.1 -0.393 66.9 -3.7 -78.7 179.1 50.0 15.7 109.7 233 233 A H T 3 S- 0 0 5 1,-0.1 -1,-0.3 -2,-0.1 24,-0.2 0.579 75.1-162.1 -2.5 97.0 49.4 17.5 106.7 234 234 A L < + 0 0 0 22,-1.7 24,-0.3 -3,-0.5 -1,-0.1 -0.157 19.2 165.8 -89.2 129.2 46.7 15.0 105.1 235 235 A S + 0 0 1 22,-0.1 2,-0.3 -33,-0.1 48,-0.2 0.578 39.0 77.1-122.8 -11.6 46.5 15.9 101.5 236 236 A T > - 0 0 2 1,-0.1 4,-2.2 -34,-0.1 5,-0.1 -0.751 65.8-134.9-111.7 155.3 44.8 13.1 99.6 237 237 A K H > S+ 0 0 69 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.915 111.3 49.3 -63.8 -45.2 41.2 11.8 99.1 238 238 A R H > S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 110.4 50.1 -63.1 -42.4 42.4 8.3 99.6 239 239 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 109.8 51.7 -62.3 -40.0 44.2 9.2 102.8 240 240 A L H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.905 107.8 51.6 -63.3 -41.8 41.1 11.0 104.0 241 241 A E H X S+ 0 0 63 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.929 108.1 52.6 -60.7 -45.5 39.0 7.9 103.4 242 242 A L H X S+ 0 0 25 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.935 112.8 43.7 -54.9 -50.1 41.5 5.8 105.4 243 243 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.892 110.7 55.2 -65.1 -39.9 41.2 8.2 108.3 244 244 A R H X S+ 0 0 54 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.925 111.4 44.0 -59.5 -45.1 37.4 8.4 108.1 245 245 A E H X S+ 0 0 95 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.863 111.1 53.7 -68.7 -36.5 37.1 4.6 108.3 246 246 A A H <>S+ 0 0 3 -4,-2.1 5,-2.3 -5,-0.2 -2,-0.2 0.929 110.7 47.3 -63.5 -43.7 39.6 4.3 111.1 247 247 A K H ><5S+ 0 0 54 -4,-2.6 3,-2.3 1,-0.2 -2,-0.2 0.924 108.7 53.4 -63.3 -43.8 37.6 6.9 113.1 248 248 A R H 3<5S+ 0 0 167 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.861 106.3 55.1 -58.2 -33.6 34.4 5.1 112.3 249 249 A A T 3<5S- 0 0 63 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.470 122.9-110.0 -78.3 -2.2 36.1 2.0 113.7 250 250 A G T < 5 + 0 0 60 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.581 61.1 158.3 86.8 8.6 36.8 3.9 116.9 251 251 A L < - 0 0 18 -5,-2.3 2,-2.1 -6,-0.2 -1,-0.2 -0.411 49.5-120.2 -68.5 141.5 40.6 4.3 116.5 252 252 A P + 0 0 28 0, 0.0 -23,-1.8 0, 0.0 2,-0.4 -0.415 66.8 131.5 -80.7 64.8 42.2 7.1 118.5 253 253 A V E -q 229 0D 5 -2,-2.1 2,-0.3 -25,-0.2 -23,-0.2 -0.911 34.1-171.5-119.9 145.9 43.6 8.9 115.4 254 254 A T E -q 230 0D 17 -25,-2.4 -23,-3.0 -2,-0.4 2,-0.3 -0.863 4.8-158.8-129.2 165.0 43.4 12.6 114.5 255 255 A A E -q 231 0D 0 -2,-0.3 46,-2.2 -25,-0.2 47,-1.4 -0.996 4.7-158.2-148.9 153.3 44.3 14.5 111.4 256 256 A E E -t 302 0G 0 -25,-1.9 -22,-1.7 -2,-0.3 2,-0.3 -0.847 5.5-154.4-126.4 161.3 45.1 18.1 110.2 257 257 A A E -t 303 0G 0 45,-1.6 47,-2.1 -2,-0.3 -22,-0.1 -0.982 16.5-129.9-136.7 146.2 45.0 19.8 106.8 258 258 A T > - 0 0 0 -2,-0.3 4,-1.0 -24,-0.3 47,-0.2 -0.561 21.6-114.9 -96.4 160.5 47.0 22.8 105.6 259 259 A P H > S+ 0 0 0 0, 0.0 4,-1.0 0, 0.0 3,-0.3 0.898 115.5 49.8 -59.3 -40.8 45.9 26.1 104.0 260 260 A H H > S+ 0 0 0 45,-0.3 4,-2.9 1,-0.2 3,-0.4 0.882 108.0 50.2 -69.4 -37.0 47.8 25.2 100.8 261 261 A H H 4 S+ 0 0 5 1,-0.2 -1,-0.2 2,-0.2 30,-0.2 0.686 113.6 49.5 -73.7 -13.4 46.3 21.7 100.4 262 262 A L H < S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.625 126.0 22.8 -96.2 -16.4 42.9 23.3 100.9 263 263 A T H < S+ 0 0 15 -4,-1.0 2,-0.3 -3,-0.4 -2,-0.2 0.620 114.8 56.0-124.0 -20.8 43.3 26.1 98.4 264 264 A L < - 0 0 16 -4,-2.9 19,-0.4 -5,-0.2 2,-0.3 -0.774 56.2-166.2-116.5 161.0 46.0 25.1 95.8 265 265 A T > - 0 0 19 -2,-0.3 3,-2.3 17,-0.2 19,-0.2 -0.870 44.9 -88.0-137.5 171.5 46.4 22.1 93.5 266 266 A E G > S+ 0 0 29 17,-2.9 3,-2.7 1,-0.3 18,-0.1 0.769 114.1 79.3 -50.4 -29.0 49.1 20.5 91.3 267 267 A E G > S+ 0 0 85 16,-0.3 3,-2.0 1,-0.3 -1,-0.3 0.809 76.8 71.9 -51.0 -33.1 48.0 22.9 88.5 268 268 A A G X S+ 0 0 29 -3,-2.3 3,-0.6 1,-0.3 5,-0.4 0.641 85.2 69.5 -60.0 -14.2 50.0 25.7 90.2 269 269 A L G X + 0 0 4 -3,-2.7 3,-2.0 1,-0.2 -1,-0.3 0.433 62.2 103.6 -85.7 1.2 53.2 23.9 89.0 270 270 A R G < S+ 0 0 131 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.599 85.7 46.9 -60.8 -6.8 52.7 24.7 85.3 271 271 A T G < S- 0 0 108 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.1 0.473 107.9-121.8-110.2 -7.2 55.3 27.4 85.7 272 272 A F < + 0 0 90 -3,-2.0 47,-0.3 1,-0.2 -3,-0.1 0.824 52.6 166.4 67.8 29.9 57.9 25.3 87.6 273 273 A D > - 0 0 54 -5,-0.4 3,-2.3 1,-0.1 -1,-0.2 -0.717 35.3-148.8 -84.1 114.4 57.7 28.0 90.4 274 274 A P G > S+ 0 0 12 0, 0.0 3,-1.8 0, 0.0 51,-0.2 0.616 88.7 82.7 -55.8 -15.8 59.3 26.7 93.6 275 275 A L G 3 S+ 0 0 29 1,-0.3 -6,-0.1 40,-0.2 41,-0.0 0.720 95.4 45.0 -63.2 -18.5 56.8 28.7 95.6 276 276 A F G < S+ 0 0 34 -3,-2.3 2,-0.7 -8,-0.1 6,-0.4 0.231 84.8 111.2-109.0 10.7 54.5 25.8 95.0 277 277 A K < + 0 0 8 -3,-1.8 48,-2.5 48,-0.2 2,-0.3 -0.789 44.9 145.9 -88.8 115.0 57.0 23.1 95.9 278 278 A V - 0 0 1 -2,-0.7 4,-0.1 46,-0.3 46,-0.0 -0.947 45.8 -87.2-147.2 164.7 55.9 21.5 99.2 279 279 A A S S+ 0 0 25 -2,-0.3 -2,-0.0 1,-0.1 -94,-0.0 -0.980 115.5 25.2-129.2 121.4 55.8 18.2 101.0 280 280 A P S S- 0 0 0 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.631 113.7-113.4 -70.8 162.1 53.5 16.4 100.7 281 281 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.020 29.8 -91.0 -59.5 161.7 52.8 17.9 97.2 282 282 A L - 0 0 4 -6,-0.4 -95,-0.5 -17,-0.1 -17,-0.2 -0.552 54.4-153.9 -70.9 139.6 49.8 19.9 96.1 283 283 A R - 0 0 6 -19,-0.4 -17,-2.9 -2,-0.2 -16,-0.3 -0.152 21.6 -61.7-104.4-160.3 47.3 17.4 94.8 284 284 A G >> - 0 0 12 -19,-0.2 4,-2.5 -18,-0.1 3,-0.7 -0.405 45.5-107.3 -85.2 163.8 44.4 17.3 92.4 285 285 A E H 3> S+ 0 0 87 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.846 122.0 59.2 -55.9 -34.4 41.1 19.3 92.6 286 286 A E H 3> S+ 0 0 136 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.889 107.1 45.1 -62.5 -40.5 39.5 16.0 93.5 287 287 A D H <> S+ 0 0 22 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.953 113.7 49.1 -68.3 -48.8 41.7 15.7 96.5 288 288 A R H X S+ 0 0 31 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.912 111.4 49.8 -56.4 -44.5 41.2 19.3 97.6 289 289 A E H X S+ 0 0 74 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.894 109.0 52.3 -62.8 -40.1 37.5 18.9 97.2 290 290 A A H X S+ 0 0 16 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.886 106.6 53.6 -64.2 -38.5 37.6 15.8 99.3 291 291 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.918 104.2 54.7 -62.7 -43.3 39.5 17.6 102.1 292 292 A L H X S+ 0 0 8 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.908 110.1 46.8 -57.2 -40.8 36.9 20.3 102.2 293 293 A E H X S+ 0 0 104 -4,-1.6 4,-2.7 1,-0.2 -1,-0.3 0.862 109.8 54.6 -68.6 -34.4 34.2 17.6 102.8 294 294 A G H X>S+ 0 0 0 -4,-2.0 6,-1.9 1,-0.2 5,-0.7 0.848 104.5 53.8 -66.7 -33.9 36.6 16.1 105.4 295 295 A L H <5S+ 0 0 0 -4,-2.4 3,-0.4 4,-0.2 -1,-0.2 0.923 112.8 45.1 -64.8 -42.5 36.7 19.5 107.2 296 296 A L H <5S+ 0 0 76 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.944 112.1 46.5 -67.1 -52.3 32.9 19.5 107.3 297 297 A D H <5S- 0 0 70 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.509 113.1-112.2 -73.5 -2.8 32.1 15.9 108.4 298 298 A G T <5S+ 0 0 27 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.440 83.5 122.2 90.1 -1.5 34.8 16.1 111.1 299 299 A T S - 0 0 35 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.555 36.1-120.6 -85.1 153.4 65.0 32.4 102.2 312 312 A L T 4 S+ 0 0 76 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.904 113.8 57.6 -56.6 -41.5 63.7 34.1 99.0 313 313 A A T >4 S+ 0 0 66 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.903 105.5 48.7 -56.6 -44.8 67.0 33.3 97.3 314 314 A E G >4 S+ 0 0 49 1,-0.3 3,-1.6 -3,-0.2 -1,-0.2 0.901 109.0 53.4 -63.1 -40.3 66.6 29.6 98.0 315 315 A K G 3< S+ 0 0 3 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.457 102.0 62.3 -74.3 0.6 63.1 29.7 96.7 316 316 A E G < S+ 0 0 139 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.352 81.9 101.7-105.9 3.8 64.5 31.3 93.5 317 317 A K S < S- 0 0 78 -3,-1.6 5,-0.1 1,-0.2 -3,-0.0 -0.190 92.5 -67.4 -75.2 176.6 66.7 28.3 92.6 318 318 A D >> - 0 0 117 1,-0.1 4,-2.4 -45,-0.1 3,-1.5 -0.361 53.0-107.6 -64.6 148.9 65.6 25.8 89.9 319 319 A L T 34 S+ 0 0 12 -47,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.856 119.0 51.6 -45.3 -45.8 62.5 23.8 90.8 320 320 A L T 34 S+ 0 0 108 1,-0.2 -1,-0.3 -48,-0.0 -2,-0.0 0.756 117.3 38.0 -67.8 -24.8 64.5 20.6 91.3 321 321 A R T <4 S+ 0 0 160 -3,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.662 93.8 101.7 -99.2 -20.5 67.1 22.3 93.6 322 322 A A S < S- 0 0 3 -4,-2.4 -7,-0.1 1,-0.1 -8,-0.1 -0.278 78.0-104.8 -65.6 149.8 64.7 24.6 95.6 323 323 A P - 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