==== 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 28-FEB-07 2EG7 . COMPND 2 MOLECULE: DIHYDROOROTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.LEE,M.J.MAHER,J.M.GUSS . 686 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 477 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 5.2 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 . 2 0.3 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 . 57 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.3 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 4 4 2 4 2 2 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 8 4 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 . 3 6 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 3 0 0 0 0 0 2 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 4 A S 0 0 107 0, 0.0 313,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.6 14.2 31.7 105.2 2 5 A Q - 0 0 93 311,-0.2 311,-2.5 310,-0.1 2,-0.4 -0.136 360.0-154.3 -62.3 140.5 17.9 31.6 104.4 3 6 A V E -A 312 0A 58 309,-0.2 2,-0.5 310,-0.1 309,-0.2 -0.932 8.7-162.3-119.7 137.7 20.0 34.7 103.9 4 7 A L E -A 311 0A 25 307,-2.9 307,-2.3 -2,-0.4 2,-0.5 -0.923 9.3-168.5-117.5 106.3 23.2 35.3 101.9 5 8 A K E +A 310 0A 130 -2,-0.5 2,-0.3 305,-0.2 305,-0.2 -0.816 15.6 167.5 -94.6 124.0 25.1 38.4 102.9 6 9 A I E -A 309 0A 4 303,-2.6 303,-2.8 -2,-0.5 2,-0.1 -0.891 43.9 -93.3-127.3 158.8 27.9 39.4 100.4 7 10 A R E S-A 308 0A 90 -2,-0.3 301,-0.3 301,-0.3 299,-0.1 -0.458 70.4 -75.4 -61.4 149.4 30.0 42.5 99.9 8 11 A R - 0 0 54 299,-3.5 297,-0.4 -2,-0.1 -1,-0.1 -0.270 60.8-130.6 -51.9 127.4 28.4 44.6 97.3 9 12 A P - 0 0 0 0, 0.0 25,-2.9 0, 0.0 26,-0.4 -0.122 13.4-145.1 -75.8 174.3 29.0 42.9 93.9 10 13 A D - 0 0 0 282,-2.0 2,-0.7 23,-0.2 26,-0.2 -0.961 12.6-130.6-133.1 154.1 30.3 44.4 90.6 11 14 A D E -c 36 0B 0 24,-2.9 26,-2.5 -2,-0.3 234,-0.2 -0.907 17.2-171.8-107.0 108.2 29.5 43.5 87.0 12 15 A W E S+ 0 0 0 232,-2.4 233,-0.2 -2,-0.7 2,-0.2 0.353 76.8 36.0 -85.4 8.4 32.7 43.0 85.0 13 16 A H E S+ 0 0 0 231,-0.1 234,-3.1 160,-0.0 235,-0.5 -0.661 76.3 152.5-158.3 100.5 31.0 42.7 81.6 14 17 A L E -cd 38 248B 1 23,-2.4 25,-3.2 233,-0.2 2,-0.5 -0.980 32.9-152.7-138.0 143.9 27.9 44.9 80.8 15 18 A H + 0 0 8 233,-1.8 23,-0.1 -2,-0.4 -2,-0.0 -0.949 17.8 168.2-110.0 117.7 26.0 46.5 77.9 16 19 A L - 0 0 1 -2,-0.5 9,-0.2 23,-0.3 10,-0.2 0.551 26.2-158.5-102.1 -10.5 24.0 49.7 78.8 17 20 A R - 0 0 47 22,-0.2 2,-0.3 4,-0.1 -1,-0.3 -0.366 23.0 -98.6 63.8-142.5 23.3 50.8 75.3 18 21 A D S >> S+ 0 0 56 -2,-0.1 4,-1.3 40,-0.0 3,-1.0 -0.928 72.6 22.5-161.5 176.4 22.4 54.5 75.0 19 22 A G H 3> S- 0 0 41 -2,-0.3 4,-1.6 1,-0.2 0, 0.0 -0.225 123.7 -9.9 57.9-135.1 19.5 57.1 74.7 20 23 A D H 3> S+ 0 0 83 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.825 136.1 56.7 -67.6 -32.2 16.2 55.8 76.0 21 24 A M H <> S+ 0 0 37 -3,-1.0 4,-2.4 2,-0.2 5,-0.3 0.945 105.4 51.5 -68.0 -48.3 17.3 52.2 76.4 22 25 A L H X S+ 0 0 2 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.936 106.8 54.5 -44.8 -52.3 20.1 53.3 78.7 23 26 A K H < S+ 0 0 137 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.8 43.3 -55.9 -37.8 17.7 55.3 80.8 24 27 A T H < S+ 0 0 31 -4,-1.6 4,-0.3 -3,-0.2 -1,-0.2 0.887 120.2 37.8 -75.8 -39.6 15.5 52.1 81.3 25 28 A V H >X S+ 0 0 2 -4,-2.4 3,-1.0 -9,-0.2 4,-0.8 0.756 96.5 76.4 -95.3 -24.2 18.2 49.5 82.0 26 29 A V H >X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.3 3,-1.8 0.926 89.7 58.4 -46.9 -53.6 20.7 51.4 84.1 27 30 A P H 3> S+ 0 0 34 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.781 98.2 60.3 -52.7 -29.6 18.6 51.2 87.3 28 31 A Y H <4 S+ 0 0 67 -3,-1.0 -2,-0.2 -4,-0.3 4,-0.2 0.773 116.2 34.2 -70.8 -27.1 18.6 47.4 87.1 29 32 A T H XX S+ 0 0 2 -3,-1.8 4,-2.6 -4,-0.8 3,-1.0 0.860 115.4 53.3 -90.1 -46.5 22.3 47.5 87.4 30 33 A S H 3< S+ 0 0 3 -4,-2.8 38,-0.3 1,-0.3 -2,-0.2 0.718 101.0 59.9 -70.2 -23.3 22.9 50.6 89.7 31 34 A E T 3< S+ 0 0 107 -4,-1.7 -1,-0.3 -5,-0.3 -3,-0.1 0.764 122.0 22.1 -71.9 -22.1 20.6 49.4 92.5 32 35 A I T <4 S+ 0 0 12 -3,-1.0 2,-0.3 -4,-0.2 -2,-0.2 0.818 111.3 61.1-112.4 -49.4 22.7 46.2 93.0 33 36 A Y < - 0 0 1 -4,-2.6 -23,-0.2 1,-0.1 3,-0.1 -0.637 55.0-154.0 -96.7 144.2 26.3 46.6 91.7 34 37 A G S S+ 0 0 2 -25,-2.9 36,-2.4 -2,-0.3 2,-0.3 0.884 83.5 9.5 -77.8 -41.7 28.9 49.1 92.9 35 38 A R E - e 0 70B 26 -26,-0.4 -24,-2.9 34,-0.2 2,-0.3 -0.964 63.4-168.1-136.0 151.9 30.8 49.1 89.6 36 39 A A E -ce 11 71B 0 34,-1.3 36,-3.1 -2,-0.3 2,-0.7 -0.993 27.1-125.3-140.1 142.9 30.4 47.7 86.1 37 40 A I E - e 0 72B 0 -26,-2.5 -23,-2.4 -2,-0.3 2,-0.7 -0.758 33.0-148.7 -78.4 116.8 32.6 47.3 83.1 38 41 A V E -ce 14 73B 1 34,-2.8 36,-0.5 -2,-0.7 -23,-0.2 -0.833 11.4-133.0-100.1 113.8 30.6 49.2 80.4 39 42 A M - 0 0 1 -25,-3.2 -23,-0.3 -2,-0.7 -22,-0.2 -0.274 6.4-137.0 -70.9 155.6 31.3 47.7 77.0 40 43 A P + 0 0 1 0, 0.0 6,-2.5 0, 0.0 2,-1.9 0.274 62.4 118.1-102.7 7.2 32.0 50.1 74.1 41 44 A N + 0 0 54 4,-0.2 2,-0.1 34,-0.1 -2,-0.1 -0.277 36.0 138.3 -86.1 54.1 29.9 48.7 71.2 42 45 A L - 0 0 28 -2,-1.9 4,-0.0 2,-0.2 -24,-0.0 -0.328 66.2 -82.8 -78.1 173.6 27.7 51.6 70.6 43 46 A A S S+ 0 0 103 1,-0.4 -2,-0.1 -2,-0.1 68,-0.0 -0.920 133.2 25.5-121.3 100.5 26.8 52.8 67.0 44 47 A P S S- 0 0 99 0, 0.0 -1,-0.4 0, 0.0 -2,-0.2 0.524 116.7-120.1 -74.5 158.2 29.2 54.4 66.5 45 48 A P - 0 0 15 0, 0.0 2,-1.1 0, 0.0 -4,-0.2 -0.104 22.7-102.2 -65.9 158.1 31.6 52.6 68.9 46 49 A V + 0 0 5 -6,-2.5 30,-3.4 1,-0.2 3,-0.0 -0.748 62.5 142.0 -86.1 98.7 33.4 54.3 71.8 47 50 A T + 0 0 33 -2,-1.1 2,-0.3 28,-0.2 -1,-0.2 0.242 52.0 63.0-124.2 4.2 36.9 54.7 70.4 48 51 A T S > S- 0 0 51 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.958 75.6-126.0-131.9 153.6 37.9 58.2 71.8 49 52 A V H > S+ 0 0 3 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.935 113.8 54.3 -58.2 -44.9 38.5 59.6 75.3 50 53 A E H > S+ 0 0 159 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.926 108.6 46.9 -55.4 -48.4 35.9 62.4 74.4 51 54 A A H > S+ 0 0 34 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.945 111.9 50.9 -61.2 -46.7 33.2 59.9 73.5 52 55 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.830 108.2 52.4 -60.6 -37.2 33.8 57.8 76.7 53 56 A V H X S+ 0 0 65 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.931 112.6 44.0 -66.1 -45.5 33.6 60.9 78.9 54 57 A A H X S+ 0 0 43 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.917 114.3 50.4 -65.8 -41.4 30.2 61.9 77.4 55 58 A Y H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.944 107.9 53.0 -62.0 -47.4 28.9 58.3 77.5 56 59 A R H X S+ 0 0 67 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.921 109.5 49.4 -50.8 -45.1 29.9 58.0 81.2 57 60 A Q H X S+ 0 0 98 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.865 107.5 53.0 -67.1 -39.0 27.9 61.2 82.0 58 61 A R H X S+ 0 0 91 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.889 111.3 48.1 -61.7 -39.8 24.8 60.0 80.2 59 62 A I H >< S+ 0 0 0 -4,-2.4 3,-1.6 2,-0.2 4,-0.4 0.983 112.5 47.4 -59.1 -56.7 25.1 56.8 82.3 60 63 A L H >< S+ 0 0 68 -4,-2.9 3,-1.4 1,-0.3 -2,-0.2 0.842 106.8 58.0 -53.5 -40.1 25.5 58.9 85.5 61 64 A D H 3< S+ 0 0 118 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.783 107.8 49.0 -59.0 -30.1 22.6 61.1 84.5 62 65 A A T << S+ 0 0 20 -3,-1.6 -1,-0.3 -4,-0.8 -2,-0.2 0.393 82.3 110.0 -95.3 -0.6 20.4 58.0 84.4 63 66 A V S < S- 0 0 27 -3,-1.4 3,-0.1 -4,-0.4 -40,-0.0 -0.678 75.0-118.1 -81.1 119.9 21.5 56.6 87.8 64 67 A P > - 0 0 44 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.169 41.7 -84.0 -59.3 150.5 18.5 56.9 90.2 65 68 A A T 3 S+ 0 0 109 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.300 114.0 22.3 -59.6 131.3 19.0 59.1 93.2 66 69 A G T 3 S+ 0 0 83 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.074 88.1 125.2 102.3 -21.3 20.7 57.3 96.1 67 70 A H < - 0 0 58 -3,-1.7 2,-1.2 1,-0.1 -1,-0.3 -0.543 53.3-147.5 -75.2 130.2 22.4 54.6 94.1 68 71 A D + 0 0 114 -2,-0.3 2,-0.4 -38,-0.3 -1,-0.1 -0.787 42.0 150.0 -99.4 89.1 26.2 54.4 94.5 69 72 A F - 0 0 10 -2,-1.2 -34,-0.2 -9,-0.1 -35,-0.1 -0.989 28.1-171.0-129.4 130.8 27.1 53.2 91.1 70 73 A T E -e 35 0B 69 -36,-2.4 -34,-1.3 -2,-0.4 2,-0.3 -0.951 15.5-145.1-123.5 115.7 30.3 53.9 89.1 71 74 A P E -e 36 0B 2 0, 0.0 2,-0.6 0, 0.0 -34,-0.2 -0.643 8.8-148.6 -80.2 132.2 30.6 52.9 85.4 72 75 A L E -e 37 0B 19 -36,-3.1 -34,-2.8 -2,-0.3 23,-0.1 -0.915 21.7-140.9-101.5 111.6 34.0 51.8 84.3 73 76 A M E -ef 38 95B 2 -2,-0.6 23,-2.8 21,-0.6 24,-1.2 -0.239 14.7-160.7 -85.5 156.5 34.5 52.7 80.7 74 77 A T E - f 0 97B 2 -36,-0.5 2,-0.5 21,-0.2 24,-0.2 -0.937 15.7-126.9-132.3 154.9 36.2 50.8 77.9 75 78 A C E - f 0 98B 0 22,-1.7 24,-3.0 -2,-0.3 2,-0.7 -0.914 21.0-131.3-102.3 126.9 37.7 51.6 74.5 76 79 A Y E - f 0 99B 42 -30,-3.4 2,-0.2 -2,-0.5 24,-0.2 -0.653 30.3-128.2 -70.1 113.5 36.6 49.6 71.4 77 80 A L + 0 0 2 22,-2.6 24,-0.3 -2,-0.7 2,-0.3 -0.497 37.4 169.8 -67.2 133.1 39.8 48.5 69.7 78 81 A T > - 0 0 4 -2,-0.2 3,-1.1 34,-0.1 35,-0.3 -0.961 47.5-111.8-138.8 155.8 40.0 49.4 66.0 79 82 A D T 3 S+ 0 0 50 33,-2.1 31,-0.1 -2,-0.3 34,-0.1 0.786 119.0 47.9 -53.1 -34.5 42.7 49.4 63.3 80 83 A S T 3 S+ 0 0 70 29,-1.7 -1,-0.2 32,-0.3 2,-0.1 0.508 80.8 124.0 -92.2 -7.5 42.7 53.2 63.2 81 84 A L < - 0 0 18 -3,-1.1 41,-0.1 28,-0.3 -33,-0.1 -0.373 61.6-131.4 -56.9 125.5 42.9 53.7 67.0 82 85 A D >> - 0 0 84 -2,-0.1 4,-1.7 1,-0.1 3,-1.0 -0.671 6.7-141.5 -74.3 123.2 45.9 55.9 68.0 83 86 A P H 3> S+ 0 0 22 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.773 102.9 58.1 -59.4 -23.8 47.8 54.2 70.8 84 87 A N H 3> S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.797 102.7 52.8 -71.7 -31.6 48.3 57.6 72.3 85 88 A E H <> S+ 0 0 46 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.919 111.1 46.1 -69.8 -41.5 44.6 58.2 72.5 86 89 A L H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.913 113.8 48.8 -64.9 -44.0 44.1 54.9 74.4 87 90 A E H X S+ 0 0 51 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.898 109.3 52.1 -65.4 -42.3 47.0 55.7 76.8 88 91 A R H X S+ 0 0 102 -4,-2.2 4,-1.9 2,-0.2 6,-0.3 0.908 110.4 48.8 -56.9 -44.8 45.7 59.2 77.5 89 92 A G H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 6,-1.5 0.881 113.7 46.3 -64.9 -39.7 42.3 57.7 78.4 90 93 A F H ><5S+ 0 0 54 -4,-2.1 3,-1.8 4,-0.2 -2,-0.2 0.956 113.0 48.7 -64.1 -54.0 43.9 55.1 80.6 91 94 A N H 3<5S+ 0 0 114 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.824 111.5 51.0 -52.0 -37.5 46.1 57.7 82.3 92 95 A E T 3<5S- 0 0 111 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.398 114.8-115.5 -85.5 -0.0 43.1 60.0 82.9 93 96 A G T < 5S+ 0 0 46 -3,-1.8 -20,-0.2 2,-0.2 -3,-0.2 0.616 88.5 113.2 73.5 14.9 41.0 57.2 84.5 94 97 A V S - 0 0 69 9,-2.0 3,-1.6 -2,-0.1 11,-0.1 -0.912 28.6-142.6-160.9 123.8 37.1 40.6 60.1 105 108 A A T 3 S+ 0 0 85 -2,-0.3 9,-0.1 1,-0.3 10,-0.1 0.721 101.8 54.7 -67.8 -19.3 39.1 41.7 57.1 106 109 A T T 3 S+ 0 0 122 8,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.419 81.3 117.3 -94.1 -0.3 36.1 43.6 55.7 107 110 A T S < S- 0 0 37 -3,-1.6 2,-0.1 6,-0.2 5,-0.1 -0.474 73.7-110.2 -72.2 135.1 35.6 45.7 58.8 108 111 A N >> - 0 0 104 -2,-0.2 3,-2.1 1,-0.1 4,-1.2 -0.424 24.2-124.6 -60.1 135.5 36.0 49.5 58.4 109 112 A S T 34 S+ 0 0 56 1,-0.3 -29,-1.7 2,-0.2 -28,-0.3 0.654 111.2 57.7 -59.0 -15.4 39.1 50.6 60.3 110 113 A S T 34 S+ 0 0 47 -31,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.625 114.0 36.9 -87.7 -15.0 36.8 53.1 62.2 111 114 A H T <4 S- 0 0 89 -3,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.473 121.4 -22.9-121.0 -7.7 34.6 50.3 63.5 112 115 A G < - 0 0 4 -4,-1.2 -33,-2.1 -5,-0.1 2,-0.4 -0.990 67.8 -66.9-179.1-169.9 36.9 47.3 64.2 113 116 A V - 0 0 4 -2,-0.3 -9,-2.0 -35,-0.3 -6,-0.2 -0.809 16.5-163.7-106.9 136.4 40.0 45.2 63.8 114 117 A T S S- 0 0 42 1,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.837 80.0 -16.9 -83.8 -38.3 41.0 43.4 60.6 115 118 A S - 0 0 51 -12,-0.1 -1,-0.4 -11,-0.1 4,-0.4 -0.965 59.3-115.7-161.7 157.6 43.6 41.2 62.5 116 119 A V S > S+ 0 0 27 -2,-0.3 3,-1.8 1,-0.2 7,-0.2 0.890 115.4 61.6 -62.7 -40.9 45.4 41.2 65.8 117 120 A D G > S+ 0 0 107 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.854 98.6 57.8 -53.3 -36.3 48.7 41.6 63.9 118 121 A A G 3 S+ 0 0 47 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.638 107.5 45.8 -75.9 -12.7 47.4 44.9 62.6 119 122 A I G <> S+ 0 0 5 -3,-1.8 4,-2.1 -4,-0.4 3,-0.3 0.090 72.3 119.0-116.5 26.3 46.9 46.3 66.1 120 123 A M H <> S+ 0 0 13 -3,-1.2 4,-3.2 1,-0.2 5,-0.4 0.890 70.1 60.5 -58.3 -40.3 50.2 45.3 67.7 121 124 A P H > S+ 0 0 82 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.947 110.4 42.9 -52.2 -45.2 51.2 48.9 68.4 122 125 A V H > S+ 0 0 4 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.891 114.7 48.6 -67.4 -38.9 48.1 49.2 70.5 123 126 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.907 111.0 50.4 -69.6 -40.5 48.5 45.8 72.2 124 127 A E H X S+ 0 0 95 -4,-3.2 4,-1.5 2,-0.2 -1,-0.2 0.802 110.3 51.9 -63.7 -31.8 52.2 46.4 73.0 125 128 A R H X S+ 0 0 59 -4,-1.4 4,-2.4 -5,-0.4 -2,-0.2 0.928 108.6 48.3 -72.4 -46.0 51.1 49.8 74.5 126 129 A M H X>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 4,-1.0 0.928 111.5 52.0 -56.1 -44.8 48.5 48.3 76.8 127 130 A E H <5S+ 0 0 48 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.865 110.2 49.4 -59.3 -38.4 51.1 45.7 77.8 128 131 A K H <5S+ 0 0 167 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.892 117.0 38.4 -68.0 -44.8 53.5 48.5 78.7 129 132 A I H <5S- 0 0 36 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.451 112.4-114.4 -89.4 -1.2 51.1 50.6 80.8 130 133 A G T <5 + 0 0 24 -4,-1.0 -3,-0.2 -3,-0.2 -4,-0.1 0.838 57.6 159.4 71.1 35.5 49.5 47.6 82.4 131 134 A M < - 0 0 0 -5,-2.4 38,-0.3 -6,-0.2 -1,-0.2 -0.782 39.8-121.2 -92.2 125.5 46.1 48.1 80.8 132 135 A P - 0 0 7 0, 0.0 -34,-1.7 0, 0.0 2,-0.5 -0.401 16.9-142.8 -70.3 142.2 43.9 45.0 80.8 133 136 A L E -gh 98 170B 0 36,-2.5 38,-2.7 -36,-0.2 2,-0.5 -0.929 7.3-155.2-102.8 124.7 42.6 43.6 77.5 134 137 A L E -gh 99 171B 0 -36,-3.1 -34,-3.1 -2,-0.5 2,-0.5 -0.879 16.2-157.8-102.5 132.2 39.1 42.2 77.4 135 138 A V E -gh 100 172B 1 36,-2.5 38,-1.8 -2,-0.5 2,-1.0 -0.955 24.2-157.1-125.0 114.3 38.6 39.6 74.7 136 139 A H - 0 0 16 -36,-2.5 2,-1.6 -2,-0.5 38,-0.1 -0.828 33.2-151.0 -77.0 99.5 35.5 38.4 72.9 137 140 A G + 0 0 1 -2,-1.0 2,-0.3 36,-0.4 16,-0.3 -0.554 47.9 110.3 -92.3 78.2 37.2 35.2 71.9 138 141 A E - 0 0 6 -2,-1.6 2,-0.4 15,-0.1 -35,-0.2 -0.991 54.4-142.6-140.1 140.2 35.6 34.0 68.7 139 142 A V - 0 0 14 10,-1.4 13,-0.1 -2,-0.3 14,-0.1 -0.894 16.4-157.8 -97.8 137.5 37.0 33.8 65.1 140 143 A T + 0 0 51 -37,-0.5 -1,-0.1 -2,-0.4 6,-0.1 0.238 32.2 147.0-111.2 20.5 34.2 34.6 62.7 141 144 A H > - 0 0 107 1,-0.1 3,-2.2 2,-0.1 -2,-0.1 -0.233 54.1-123.8 -60.1 140.3 35.2 33.1 59.3 142 145 A A T 3 S+ 0 0 92 1,-0.3 -1,-0.1 3,-0.0 4,-0.1 0.756 107.8 56.7 -59.2 -30.5 32.1 31.9 57.4 143 146 A D T 3 S+ 0 0 138 2,-0.1 2,-0.6 406,-0.0 -1,-0.3 0.422 86.7 93.4 -85.1 -2.0 33.4 28.4 57.0 144 147 A I S < S- 0 0 13 -3,-2.2 5,-0.1 405,-0.0 2,-0.0 -0.837 82.4-117.4 -99.9 123.8 33.8 27.9 60.8 145 148 A D > - 0 0 13 -2,-0.6 3,-2.2 1,-0.1 4,-0.4 -0.349 23.1-123.7 -57.1 136.1 30.8 26.3 62.5 146 149 A I G > S+ 0 0 5 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.827 110.5 55.1 -56.4 -36.8 29.4 28.6 65.1 147 150 A F G 3 S+ 0 0 13 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.647 108.6 50.9 -70.8 -16.3 29.8 26.1 68.0 148 151 A D G <> S+ 0 0 60 -3,-2.2 4,-2.3 1,-0.1 -1,-0.3 0.430 83.0 92.9 -94.6 -5.7 33.5 25.8 67.1 149 152 A R H <> S+ 0 0 16 -3,-1.2 -10,-1.4 -4,-0.4 4,-0.9 0.803 85.4 47.4 -72.0 -27.8 34.3 29.6 67.0 150 153 A E H >> S+ 0 0 1 -4,-0.3 4,-1.5 -12,-0.2 3,-0.5 0.950 113.0 46.4 -73.4 -51.4 35.4 29.8 70.6 151 154 A A H 3> S+ 0 0 29 -4,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.894 110.6 54.2 -59.8 -40.1 37.7 26.8 70.6 152 155 A R H 3X S+ 0 0 127 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.811 103.9 56.3 -64.6 -30.2 39.3 28.0 67.3 153 156 A F H S+ 0 0 10 -4,-0.9 4,-2.9 -3,-0.5 5,-2.2 0.903 102.9 54.5 -66.5 -44.3 40.1 31.4 68.8 154 157 A I H <>S+ 0 0 20 -4,-1.5 5,-2.4 -17,-0.2 -2,-0.2 0.922 116.6 36.8 -51.7 -50.9 42.1 29.9 71.7 155 158 A E H <5S+ 0 0 134 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 126.0 36.3 -73.8 -43.0 44.3 28.0 69.3 156 159 A S H <5S+ 0 0 61 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.708 135.7 1.9 -87.1 -29.5 44.5 30.6 66.5 157 160 A V T X5S+ 0 0 30 -4,-2.9 4,-2.6 -5,-0.2 -3,-0.2 0.657 119.3 55.9-128.8 -55.0 44.6 33.9 68.4 158 161 A M H > S+ 0 0 53 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.887 113.8 50.5 -59.3 -37.4 49.8 33.1 70.1 161 164 A L H X S+ 0 0 6 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.913 110.4 46.6 -63.9 -46.1 48.9 36.5 71.4 162 165 A R H < S+ 0 0 33 -4,-2.4 -1,-0.2 1,-0.2 -3,-0.2 0.729 111.2 53.4 -73.2 -22.3 49.7 35.7 75.0 163 166 A Q H < S+ 0 0 127 -4,-1.8 3,-0.3 -5,-0.2 -1,-0.2 0.740 112.3 45.6 -78.4 -29.1 53.0 34.1 73.9 164 167 A R H < S+ 0 0 133 -4,-1.4 2,-0.6 1,-0.2 -2,-0.2 0.903 121.8 35.6 -73.8 -47.8 53.8 37.4 72.0 165 168 A L >< + 0 0 7 -4,-2.6 3,-1.6 1,-0.1 -1,-0.2 -0.754 68.9 173.8-114.7 83.3 52.8 39.7 74.9 166 169 A T T 3 S+ 0 0 101 -2,-0.6 -1,-0.1 -3,-0.3 24,-0.1 0.572 77.5 47.5 -75.0 -13.7 53.8 37.9 78.1 167 170 A A T 3 S+ 0 0 33 2,-0.1 2,-0.4 23,-0.0 -1,-0.3 0.344 83.1 114.8-104.6 -0.2 53.0 40.8 80.4 168 171 A L < - 0 0 5 -3,-1.6 2,-0.4 -6,-0.2 -41,-0.1 -0.627 61.6-138.9 -74.4 125.9 49.6 41.6 79.0 169 172 A K - 0 0 58 -2,-0.4 -36,-2.5 -38,-0.3 2,-0.4 -0.751 26.2-168.3 -83.6 133.3 46.7 41.0 81.4 170 173 A V E -hi 133 191B 0 20,-2.6 22,-2.3 -2,-0.4 2,-0.6 -0.989 20.5-158.9-134.1 130.0 43.7 39.4 79.6 171 174 A V E -hi 134 192B 0 -38,-2.7 -36,-2.5 -2,-0.4 2,-1.2 -0.954 15.2-147.5-107.3 121.6 40.2 38.7 80.5 172 175 A F E -hi 135 193B 0 20,-2.9 22,-1.4 -2,-0.6 3,-0.5 -0.770 29.7-139.6 -86.1 97.1 38.6 36.0 78.4 173 176 A E - 0 0 0 -38,-1.8 -36,-0.4 -2,-1.2 22,-0.1 -0.286 61.1 -12.7 -66.7 147.4 35.1 37.4 78.4 174 177 A H S S- 0 0 1 1,-0.1 21,-0.2 71,-0.1 -1,-0.2 0.759 77.0-156.4 33.3 66.0 32.0 35.2 78.7 175 178 A I + 0 0 0 19,-1.9 21,-0.3 -3,-0.5 -1,-0.1 -0.368 20.2 176.5 -73.8 148.7 33.5 31.7 78.2 176 179 A T + 0 0 3 19,-0.1 2,-0.3 -2,-0.1 47,-0.3 0.368 50.0 66.7-136.5 -0.3 31.2 29.0 77.1 177 180 A T S > S- 0 0 2 1,-0.1 4,-2.0 53,-0.1 5,-0.1 -0.844 73.2-124.9-129.9 157.7 33.3 25.9 76.5 178 181 A K H > S+ 0 0 92 -2,-0.3 4,-2.6 2,-0.2 5,-0.3 0.758 113.3 65.7 -61.3 -32.1 35.3 23.3 78.4 179 182 A D H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.944 108.4 36.1 -58.6 -45.0 38.0 24.4 76.0 180 183 A A H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.879 114.1 56.3 -77.7 -37.5 38.1 27.8 77.5 181 184 A A H X S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.931 112.2 43.1 -59.0 -48.0 37.5 26.7 81.1 182 185 A D H X S+ 0 0 37 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.930 114.0 51.5 -62.2 -46.9 40.5 24.4 80.9 183 186 A Y H < S+ 0 0 37 -4,-1.9 4,-0.3 -5,-0.3 -2,-0.2 0.937 114.5 41.9 -56.5 -51.1 42.6 27.1 79.2 184 187 A V H >< S+ 0 0 0 -4,-3.3 3,-1.5 1,-0.2 -1,-0.2 0.926 113.6 53.0 -64.8 -44.8 41.8 29.7 81.8 185 188 A R H 3< S+ 0 0 117 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.878 112.5 44.0 -59.1 -39.4 42.2 27.2 84.6 186 189 A D T 3< S+ 0 0 119 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.355 101.0 99.7 -88.9 4.5 45.7 26.2 83.4 187 190 A G S < S- 0 0 23 -3,-1.5 2,-0.1 -4,-0.3 -3,-0.1 -0.063 72.3-101.2 -78.7-178.2 46.7 29.8 82.8 188 191 A N > - 0 0 56 4,-0.0 3,-2.4 1,-0.0 -1,-0.1 -0.391 44.0 -83.7 -95.3 179.8 48.8 32.3 84.8 189 192 A E T 3 S+ 0 0 135 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.611 125.3 63.3 -57.1 -18.7 48.0 35.2 87.1 190 193 A R T 3 S+ 0 0 93 -24,-0.1 -20,-2.6 -21,-0.1 2,-0.4 0.350 93.1 72.3 -90.0 3.4 47.7 37.4 83.9 191 194 A L E < +i 170 0B 0 -3,-2.4 2,-0.2 -22,-0.2 -20,-0.2 -0.990 55.8 155.2-123.1 128.4 44.7 35.4 82.5 192 195 A A E -i 171 0B 0 -22,-2.3 -20,-2.9 -2,-0.4 2,-0.3 -0.755 20.0-151.9-134.2 178.3 41.2 35.6 83.9 193 196 A A E -ij 172 242B 0 48,-1.9 50,-1.8 -22,-0.2 2,-0.3 -0.986 7.2-142.3-150.4 154.6 37.6 35.0 82.7 194 197 A T E - j 0 243B 0 -22,-1.4 -19,-1.9 -2,-0.3 2,-0.4 -0.895 15.0-159.0-110.6 154.1 34.0 36.0 83.2 195 198 A I E - j 0 244B 0 48,-1.1 50,-1.2 -2,-0.3 -19,-0.1 -0.995 10.6-135.8-133.3 138.6 30.9 33.8 83.0 196 199 A T > - 0 0 0 -2,-0.4 4,-0.7 -21,-0.3 50,-0.2 -0.484 22.1-119.1 -82.3 161.1 27.3 34.7 82.4 197 200 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 3,-0.5 0.881 112.6 54.2 -64.2 -38.6 24.3 33.3 84.3 198 201 A Q H > S+ 0 0 0 48,-0.3 4,-2.7 1,-0.2 48,-0.0 0.903 104.6 53.4 -68.3 -38.1 22.8 31.8 81.1 199 202 A H H 4 S+ 0 0 5 1,-0.2 -1,-0.2 2,-0.2 32,-0.2 0.746 115.7 41.8 -69.0 -19.7 25.9 29.9 80.2 200 203 A L H < S+ 0 0 0 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.848 120.0 41.1 -85.8 -42.0 25.8 28.4 83.7 201 204 A M H < S+ 0 0 48 -4,-3.0 2,-0.3 -5,-0.1 -2,-0.2 0.802 119.1 32.0 -76.4 -32.1 22.1 27.7 83.9 202 205 A F < - 0 0 31 -4,-2.7 2,-0.2 -5,-0.2 21,-0.2 -0.775 51.3-161.6-129.2 165.4 21.6 26.4 80.4 203 206 A N >> - 0 0 14 -2,-0.3 3,-1.2 19,-0.1 4,-0.7 -0.772 53.3 -80.7-132.0 179.0 23.0 24.6 77.3 204 207 A R H >> S+ 0 0 8 19,-2.5 4,-1.6 1,-0.3 3,-0.5 0.755 122.0 67.5 -60.2 -28.4 21.8 24.6 73.7 205 208 A N H 3> S+ 0 0 17 18,-0.2 4,-3.0 1,-0.2 3,-0.3 0.902 96.3 56.6 -54.7 -41.1 19.0 22.0 74.3 206 209 A H H <4 S+ 0 0 75 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.823 111.3 43.5 -61.5 -29.5 17.2 24.8 76.4 207 210 A M H << S+ 0 0 2 -4,-0.7 6,-2.1 -3,-0.5 -1,-0.2 0.762 129.5 22.4 -83.0 -25.0 17.4 27.0 73.3 208 211 A L H >< S+ 0 0 0 -4,-1.6 3,-0.7 -3,-0.3 2,-0.5 0.590 91.3 95.4-126.6 -13.7 16.3 24.4 70.7 209 212 A V T 3< S+ 0 0 42 -4,-3.0 280,-0.0 1,-0.2 277,-0.0 -0.752 102.7 0.4 -89.2 126.8 14.4 21.5 72.1 210 213 A G T 3 S- 0 0 61 -2,-0.5 -1,-0.2 239,-0.2 2,-0.2 0.642 138.2 -9.2 72.3 19.8 10.6 21.9 71.9 211 214 A G S < S- 0 0 4 -3,-0.7 2,-0.5 395,-0.1 395,-0.2 -0.491 83.0 -86.2 140.0 152.5 10.7 25.3 70.2 212 215 A V B -K 605 0C 3 393,-2.0 393,-2.7 -2,-0.2 -4,-0.2 -0.794 36.3-159.6 -89.4 129.2 13.2 27.9 69.3 213 216 A R > - 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0 0 36 -4,-2.4 2,-0.2 -5,-0.2 21,-0.2 -0.828 52.3-158.4-134.8 162.4 21.7 24.9 54.5 547 206 B N >> - 0 0 14 -2,-0.3 3,-1.4 19,-0.1 4,-0.6 -0.710 52.9 -80.6-126.7-175.7 23.5 23.9 57.7 548 207 B R H >> S+ 0 0 7 19,-2.6 4,-1.5 1,-0.3 3,-0.9 0.794 122.3 68.3 -62.6 -27.2 23.1 25.2 61.3 549 208 B N H 3> S+ 0 0 18 18,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.849 95.0 57.4 -56.0 -35.5 25.3 28.2 60.6 550 209 B H H <4 S+ 0 0 74 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.770 110.2 43.4 -68.6 -27.3 22.5 29.6 58.3 551 210 B M H << S+ 0 0 1 -3,-0.9 6,-2.3 -4,-0.6 -1,-0.2 0.698 128.4 25.2 -85.4 -24.8 20.0 29.4 61.2 552 211 B L H >< S+ 0 0 1 -4,-1.5 2,-0.5 4,-0.2 3,-0.5 0.596 90.7 95.8-124.6 -16.4 22.3 30.9 63.9 553 212 B V T 3< S- 0 0 44 -4,-2.9 -408,-0.0 -5,-0.2 -411,-0.0 -0.740 102.6 -0.9 -85.4 125.3 25.0 33.1 62.5 554 213 B G T 3 S- 0 0 68 -2,-0.5 2,-0.2 2,-0.0 -1,-0.2 0.485 139.2 -6.9 82.3 3.7 24.2 36.8 62.5 555 214 B G S < S- 0 0 2 -3,-0.5 2,-0.5 -293,-0.1 -293,-0.2 -0.666 82.4 -90.3 150.9 152.0 20.8 36.3 64.0 556 215 B V B -L 261 0D 5 -295,-1.8 -295,-2.6 -2,-0.2 -4,-0.2 -0.807 36.8-159.8 -89.0 131.2 18.5 33.5 64.9 557 216 B R > - 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0 0 31 -5,-0.7 3,-0.6 1,-0.1 -1,-0.3 -0.273 26.8-148.4 -45.3 129.0 21.6 6.4 44.7 584 243 B N T 3 S+ 0 0 65 1,-0.2 59,-0.2 -3,-0.1 -1,-0.1 0.285 82.3 69.1-103.1 8.7 18.0 5.3 43.9 585 244 B R T 3 S+ 0 0 45 57,-0.1 -48,-1.9 58,-0.0 2,-0.4 -0.035 83.4 86.8-113.8 25.4 16.5 4.8 47.3 586 245 B V E < +x 537 0H 1 -3,-0.6 2,-0.3 -50,-0.2 -48,-0.2 -0.990 58.1 167.6-112.2 141.0 16.5 8.5 48.1 587 246 B F E -x 538 0H 0 -50,-1.8 -48,-1.2 -2,-0.4 2,-0.2 -0.928 39.0 -72.4-149.6 166.7 13.6 10.6 47.0 588 247 B L E +x 539 0H 0 47,-2.0 -232,-2.3 -2,-0.3 2,-0.2 -0.449 47.8 154.6 -64.5 123.3 11.8 13.9 47.3 589 248 B G - 0 0 0 -50,-1.0 -231,-0.1 -2,-0.2 -234,-0.1 -0.823 20.8-168.0-145.4 109.4 10.0 14.6 50.6 590 249 B T - 0 0 0 -2,-0.2 -48,-0.3 -50,-0.2 -232,-0.2 0.838 16.1-150.3 -65.0 -34.8 9.7 18.4 51.4 591 250 B D - 0 0 10 -234,-3.1 18,-0.4 1,-0.2 -233,-0.2 0.740 24.0-173.0 53.6 29.2 8.6 18.0 55.0 592 251 B S B +r 358 0H 1 -235,-0.5 -233,-1.8 18,-0.1 18,-0.3 -0.293 7.1 177.0 -47.4 128.0 6.7 21.3 54.2 593 252 B A - 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