==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-NOV-01 1GQN . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHI; . AUTHOR W.-H.LEE,L.A.PERLES,R.A.P.NAGEM,I.POLIKARPOV,L.SAWYER . 252 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 1 0.4 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 . 18 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 0 0 0 0 0 1 1 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 M 0 0 134 0, 0.0 2,-0.6 0, 0.0 197,-0.2 0.000 360.0 360.0 360.0 101.5 24.6 22.9 3.1 2 2 A K - 0 0 166 195,-2.4 195,-0.0 197,-0.0 2,-0.0 -0.767 360.0-147.6 -85.9 114.2 22.4 25.1 5.2 3 3 A T - 0 0 43 -2,-0.6 2,-0.5 195,-0.2 9,-0.2 -0.261 12.5-124.1 -77.4 171.1 21.5 23.5 8.6 4 4 A V E -A 11 0A 6 7,-2.5 7,-3.4 2,-0.0 2,-0.5 -0.964 20.0-162.4-121.9 118.1 18.2 24.1 10.3 5 5 A T E +A 10 0A 69 -2,-0.5 2,-0.5 5,-0.2 5,-0.2 -0.872 13.0 173.1-102.9 122.6 18.2 25.5 13.9 6 6 A V E > -A 9 0A 5 3,-2.4 3,-2.7 -2,-0.5 2,-0.1 -0.984 66.7 -36.3-134.4 120.9 15.1 25.1 16.0 7 7 A K T 3 S- 0 0 77 -2,-0.5 68,-0.1 1,-0.3 67,-0.0 -0.487 126.4 -32.3 58.6-131.7 15.0 26.0 19.6 8 8 A N T 3 S+ 0 0 168 66,-0.4 2,-0.5 -2,-0.1 -1,-0.3 0.103 117.0 105.2-106.3 30.0 18.6 25.0 20.6 9 9 A L E < -A 6 0A 23 -3,-2.7 -3,-2.4 34,-0.0 2,-0.7 -0.894 55.6-154.2-107.0 132.2 18.8 22.0 18.2 10 10 A I E > -A 5 0A 66 -2,-0.5 3,-0.7 -5,-0.2 2,-0.5 -0.909 11.3-158.2-105.2 113.4 20.8 22.1 15.0 11 11 A I E 3 S+A 4 0A 2 -7,-3.4 -7,-2.5 -2,-0.7 3,-0.1 -0.792 75.0 33.7 -93.7 129.9 19.5 19.7 12.4 12 12 A G T 3 S+ 0 0 24 -2,-0.5 2,-0.3 210,-0.4 -1,-0.2 0.386 102.9 81.1 109.3 4.3 22.0 18.6 9.7 13 13 A E S < S- 0 0 114 -3,-0.7 -1,-0.4 2,-0.2 -3,-0.1 -0.978 87.4 -3.8-135.1 150.1 25.2 18.6 11.9 14 14 A G S S- 0 0 55 -2,-0.3 3,-0.1 -3,-0.1 -2,-0.1 -0.276 113.7 -1.1 68.9-154.2 26.5 16.0 14.3 15 15 A M S S- 0 0 64 1,-0.1 -2,-0.2 -4,-0.0 -3,-0.2 -0.430 90.3 -89.1 -70.8 151.8 24.6 12.8 15.1 16 16 A P - 0 0 9 0, 0.0 207,-0.3 0, 0.0 2,-0.2 -0.230 48.7-113.9 -54.6 143.2 21.2 12.3 13.5 17 17 A K E -b 223 0B 24 205,-2.5 207,-2.6 -3,-0.1 2,-0.6 -0.591 23.6-124.7 -86.8 146.3 18.4 13.7 15.6 18 18 A I E -b 224 0B 3 -2,-0.2 25,-2.1 205,-0.2 26,-2.0 -0.831 22.6-167.3 -97.8 122.5 15.8 11.5 17.3 19 19 A I E -bc 225 44B 4 205,-2.9 207,-2.5 -2,-0.6 2,-0.4 -0.847 2.1-170.4-103.9 139.7 12.2 12.1 16.6 20 20 A V E - c 0 45B 0 24,-1.9 26,-3.4 -2,-0.4 2,-0.5 -0.937 17.1-132.3-125.6 150.5 9.4 10.4 18.6 21 21 A S E - c 0 46B 23 205,-0.5 2,-0.4 -2,-0.4 207,-0.2 -0.929 8.6-152.6-112.5 132.3 5.8 10.4 17.8 22 22 A L E - c 0 47B 0 24,-2.9 26,-2.7 -2,-0.5 2,-0.4 -0.852 15.0-177.9-101.6 137.3 3.0 11.2 20.1 23 23 A M + 0 0 75 -2,-0.4 2,-0.3 24,-0.2 26,-0.1 -1.000 12.4 152.3-145.0 113.6 -0.5 9.7 19.4 24 24 A G - 0 0 6 24,-0.4 27,-0.1 -2,-0.4 6,-0.1 -0.970 37.4-144.1-147.7 142.0 -3.6 10.4 21.4 25 25 A R S S+ 0 0 163 -2,-0.3 28,-2.6 27,-0.2 29,-0.4 0.734 81.0 6.1 -82.3 -19.5 -7.2 10.3 20.4 26 26 A D S > S- 0 0 77 26,-0.2 4,-2.7 27,-0.1 5,-0.3 -0.913 87.9 -82.3-150.1 176.5 -8.4 13.2 22.6 27 27 A I H > S+ 0 0 49 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.862 123.1 48.7 -52.6 -46.5 -7.2 15.9 25.0 28 28 A N H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 113.9 44.3 -64.8 -38.5 -6.9 13.7 28.0 29 29 A S H > S+ 0 0 37 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 112.4 53.5 -73.2 -33.7 -5.0 10.9 26.3 30 30 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.918 110.9 47.3 -63.4 -41.8 -2.7 13.6 24.6 31 31 A K H X S+ 0 0 79 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.935 110.7 50.4 -65.3 -43.2 -2.0 15.0 28.0 32 32 A A H X S+ 0 0 58 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.900 113.6 46.5 -62.9 -40.4 -1.3 11.6 29.6 33 33 A E H X S+ 0 0 72 -4,-2.5 4,-3.4 1,-0.2 -2,-0.2 0.931 109.4 53.1 -67.1 -43.2 1.1 10.8 26.7 34 34 A A H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.888 109.8 49.2 -59.5 -38.1 2.9 14.2 26.9 35 35 A L H < S+ 0 0 72 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.871 113.6 46.2 -71.6 -30.4 3.6 13.7 30.6 36 36 A A H >< S+ 0 0 51 -4,-1.5 3,-1.8 1,-0.2 -2,-0.2 0.909 111.4 52.5 -73.7 -43.0 4.9 10.2 30.0 37 37 A Y H >< S+ 0 0 28 -4,-3.4 3,-1.6 1,-0.3 -2,-0.2 0.790 93.9 68.2 -67.2 -25.4 7.1 11.4 27.1 38 38 A R T 3< S+ 0 0 134 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.547 93.3 62.4 -71.7 -1.5 8.8 14.2 29.0 39 39 A E T < S+ 0 0 161 -3,-1.8 2,-0.3 -4,-0.1 -1,-0.3 0.003 94.7 77.4-105.6 24.9 10.5 11.4 31.0 40 40 A A S < S- 0 0 21 -3,-1.6 2,-0.5 2,-0.0 188,-0.1 -0.891 82.0-123.3-125.9 158.4 12.2 10.1 27.9 41 41 A T + 0 0 90 -2,-0.3 2,-0.3 2,-0.0 202,-0.1 -0.944 52.1 129.4-104.2 118.7 15.3 11.6 26.1 42 42 A F - 0 0 18 -2,-0.5 -23,-0.1 1,-0.1 3,-0.1 -0.916 51.6-128.4-158.1 171.4 14.7 12.5 22.4 43 43 A D S S+ 0 0 50 -25,-2.1 2,-0.4 1,-0.3 -24,-0.2 0.794 83.3 26.6-101.6 -31.0 15.3 15.6 20.3 44 44 A I E -c 19 0B 6 -26,-2.0 -24,-1.9 31,-0.1 2,-0.6 -1.000 63.2-145.8-135.8 132.8 12.2 16.3 18.4 45 45 A L E -cd 20 77B 0 31,-2.7 33,-2.8 -2,-0.4 2,-0.5 -0.886 12.4-163.0-101.8 122.5 8.6 15.6 19.3 46 46 A E E -cd 21 78B 4 -26,-3.4 -24,-2.9 -2,-0.6 2,-0.7 -0.897 7.5-151.4 -98.8 128.8 6.3 14.9 16.4 47 47 A W E -cd 22 79B 0 31,-3.3 33,-2.3 -2,-0.5 2,-1.4 -0.898 7.9-147.1 -99.2 117.3 2.5 15.1 17.2 48 48 A R E > - d 0 80B 33 -26,-2.7 3,-1.4 -2,-0.7 -24,-0.4 -0.709 19.3-179.8 -85.0 89.9 0.5 12.7 14.9 49 49 A V G > S+ 0 0 0 31,-1.9 3,-1.7 -2,-1.4 32,-0.2 0.724 70.3 73.8 -63.7 -27.4 -2.6 14.8 14.5 50 50 A D G 3 S+ 0 0 0 30,-0.7 -1,-0.3 1,-0.3 31,-0.1 0.635 91.7 58.1 -67.3 -9.2 -4.3 12.2 12.3 51 51 A H G < S+ 0 0 54 -3,-1.4 2,-0.3 -27,-0.1 -1,-0.3 0.629 84.6 99.5 -90.5 -13.0 -4.8 10.0 15.4 52 52 A F < - 0 0 3 -3,-1.7 3,-0.5 -4,-0.2 -27,-0.2 -0.580 65.6-150.8 -76.2 130.4 -6.8 12.8 17.1 53 53 A M S S+ 0 0 85 -28,-2.6 2,-0.9 -2,-0.3 3,-0.3 0.851 84.9 58.2 -73.6 -36.0 -10.5 12.2 16.9 54 54 A D > + 0 0 77 -29,-0.4 3,-1.2 1,-0.2 7,-0.3 -0.271 58.8 134.7 -92.6 53.1 -11.8 15.8 16.9 55 55 A I T 3 + 0 0 12 -2,-0.9 -1,-0.2 -3,-0.5 -2,-0.1 0.703 59.1 74.8 -72.4 -13.8 -9.9 17.1 13.8 56 56 A A T 3 S+ 0 0 83 -3,-0.3 2,-0.7 1,-0.1 -1,-0.3 0.778 88.9 67.8 -69.5 -24.3 -13.1 18.8 12.5 57 57 A S <> - 0 0 41 -3,-1.2 4,-2.2 1,-0.2 3,-0.4 -0.827 63.8-165.7-100.7 109.8 -12.6 21.5 15.2 58 58 A T H > S+ 0 0 45 -2,-0.7 4,-2.7 1,-0.3 5,-0.2 0.899 93.5 54.9 -55.0 -40.3 -9.6 23.7 14.8 59 59 A Q H > S+ 0 0 136 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.891 106.0 51.1 -63.1 -39.4 -10.0 25.0 18.4 60 60 A S H > S+ 0 0 31 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.925 110.9 49.0 -63.0 -43.6 -9.9 21.3 19.7 61 61 A V H X S+ 0 0 2 -4,-2.2 4,-2.2 -7,-0.3 -2,-0.2 0.938 112.2 47.2 -61.9 -46.9 -6.7 20.7 17.8 62 62 A L H X S+ 0 0 30 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.836 108.3 55.5 -65.2 -28.4 -5.1 23.9 19.1 63 63 A T H X S+ 0 0 64 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.912 109.8 47.1 -69.1 -43.4 -6.1 23.1 22.7 64 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.911 108.6 53.8 -65.8 -37.1 -4.4 19.8 22.4 65 65 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.926 108.0 51.8 -61.0 -39.7 -1.3 21.4 20.9 66 66 A R H X S+ 0 0 129 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.887 104.1 56.3 -66.0 -36.4 -1.2 23.7 23.9 67 67 A V H X S+ 0 0 29 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.945 111.2 44.4 -58.8 -47.0 -1.4 20.8 26.3 68 68 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.941 113.1 50.4 -62.7 -47.0 1.7 19.3 24.7 69 69 A R H < S+ 0 0 27 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.902 109.7 49.9 -63.7 -40.0 3.5 22.7 24.6 70 70 A D H < S+ 0 0 109 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.855 111.2 49.6 -70.2 -32.8 2.8 23.3 28.3 71 71 A A H < S+ 0 0 13 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.810 128.4 22.6 -71.5 -28.2 4.1 19.9 29.3 72 72 A M >< + 0 0 15 -4,-1.9 3,-1.1 -5,-0.1 -1,-0.3 -0.650 69.0 169.8-141.0 76.3 7.3 20.4 27.2 73 73 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.805 76.3 42.5 -61.8 -30.9 8.1 24.0 26.7 74 74 A D T 3 S+ 0 0 136 2,-0.1 -66,-0.4 -67,-0.0 -5,-0.1 0.313 87.0 106.5-102.5 9.3 11.5 23.7 25.2 75 75 A I S < S- 0 0 29 -3,-1.1 2,-0.2 -6,-0.2 -31,-0.1 -0.678 76.0-113.0 -90.3 140.9 11.1 20.9 22.9 76 76 A P - 0 0 7 0, 0.0 -31,-2.7 0, 0.0 2,-0.5 -0.507 38.3-153.1 -62.8 129.7 11.1 21.3 19.1 77 77 A L E -d 45 0B 2 -2,-0.2 34,-2.0 -33,-0.2 35,-1.8 -0.952 11.1-163.4-117.6 122.9 7.5 20.4 18.1 78 78 A L E -de 46 112B 5 -33,-2.8 -31,-3.3 -2,-0.5 2,-0.6 -0.901 10.5-148.8-104.8 122.6 6.6 19.0 14.7 79 79 A F E +de 47 113B 1 33,-2.6 35,-2.2 -2,-0.5 2,-0.4 -0.884 22.8 178.0 -93.7 115.7 2.9 19.1 13.7 80 80 A T E -d 48 0B 0 -33,-2.3 -31,-1.9 -2,-0.6 -30,-0.7 -0.968 24.1-177.0-130.0 117.3 2.0 16.3 11.4 81 81 A F - 0 0 0 -2,-0.4 2,-0.6 33,-0.4 -33,-0.1 -0.960 22.5-157.7-102.1 110.9 -1.3 15.3 9.9 82 82 A R - 0 0 8 -2,-0.7 8,-0.6 5,-0.1 7,-0.4 -0.836 15.0-133.0 -91.5 121.0 -0.4 12.1 8.0 83 83 A S B > > -i 90 0C 25 -2,-0.6 5,-3.6 5,-0.2 3,-1.0 -0.264 17.3-115.9 -69.6 156.5 -3.1 11.5 5.3 84 84 A A G > 5S+ 0 0 38 6,-0.9 3,-2.1 1,-0.2 7,-0.1 0.910 114.8 63.8 -61.3 -35.5 -4.6 8.0 4.9 85 85 A K G 3 5S+ 0 0 188 1,-0.3 -1,-0.2 2,-0.1 6,-0.1 0.794 107.6 43.1 -57.0 -29.0 -3.0 7.8 1.4 86 86 A E G < 5S- 0 0 11 -3,-1.0 -1,-0.3 58,-0.1 -2,-0.2 0.089 137.6 -79.4-108.2 29.4 0.4 7.9 3.0 87 87 A G T < 5S+ 0 0 34 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.395 86.4 141.3 93.6 1.8 -0.4 5.6 5.9 88 88 A G < - 0 0 11 -5,-3.6 -1,-0.2 2,-0.1 -5,-0.2 0.004 57.8-116.9 -68.9 175.2 -2.2 8.0 8.1 89 89 A E S S+ 0 0 111 -7,-0.4 2,-0.3 1,-0.1 -6,-0.1 0.747 85.3 31.4 -89.5 -21.8 -5.3 7.2 10.1 90 90 A Q B -i 83 0C 45 -8,-0.6 -6,-0.9 2,-0.0 2,-0.5 -0.974 66.3-129.8-136.0 152.2 -8.0 9.4 8.6 91 91 A T + 0 0 122 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.1 -0.830 32.7 168.2-103.1 138.9 -9.0 10.9 5.3 92 92 A I - 0 0 41 -2,-0.5 -8,-0.1 -37,-0.0 2,-0.1 -0.936 39.2 -92.4-137.2 160.6 -9.8 14.6 5.3 93 93 A T > - 0 0 89 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.384 33.7-112.6 -73.9 159.1 -10.2 17.0 2.3 94 94 A T H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.871 118.0 54.8 -58.3 -37.7 -7.3 19.0 0.9 95 95 A Q H > S+ 0 0 148 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 108.4 45.6 -61.3 -44.9 -9.0 22.2 2.2 96 96 A H H > S+ 0 0 38 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.884 111.3 53.8 -65.3 -39.2 -9.3 20.9 5.8 97 97 A Y H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.955 111.1 45.0 -60.2 -46.6 -5.7 19.7 5.8 98 98 A L H X S+ 0 0 17 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.920 111.5 54.2 -67.0 -35.5 -4.4 23.1 4.7 99 99 A T H X S+ 0 0 55 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.950 108.2 48.8 -62.2 -47.4 -6.7 24.8 7.2 100 100 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.930 111.6 48.5 -58.6 -45.7 -5.2 22.7 10.1 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.922 112.7 49.1 -63.7 -38.0 -1.6 23.4 9.0 102 102 A R H X S+ 0 0 72 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.944 109.9 50.2 -67.1 -42.0 -2.3 27.1 8.8 103 103 A A H X S+ 0 0 16 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.898 112.0 49.3 -59.8 -42.5 -4.0 27.2 12.2 104 104 A A H X S+ 0 0 0 -4,-2.5 4,-0.7 -5,-0.2 6,-0.7 0.924 110.9 49.2 -61.1 -43.2 -1.0 25.4 13.6 105 105 A I H >< S+ 0 0 5 -4,-2.4 3,-0.6 -5,-0.2 -2,-0.2 0.944 113.2 47.5 -61.0 -46.0 1.4 27.9 12.0 106 106 A D H 3< S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.769 98.4 68.8 -68.3 -29.4 -0.6 30.8 13.3 107 107 A S H 3< S- 0 0 34 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.757 90.9-139.7 -62.2 -29.5 -0.8 29.6 16.8 108 108 A G S << S+ 0 0 67 -4,-0.7 -3,-0.1 -3,-0.6 -1,-0.1 0.541 76.1 107.2 76.2 11.5 2.9 30.0 17.5 109 109 A L + 0 0 13 -5,-0.5 2,-0.3 2,-0.0 -4,-0.1 0.659 66.5 59.7 -90.1 -20.8 2.8 26.7 19.4 110 110 A V - 0 0 9 -6,-0.7 -32,-0.1 -5,-0.1 -2,-0.1 -0.843 57.3-160.2-117.3 153.1 4.7 24.6 16.9 111 111 A D S S+ 0 0 25 -34,-2.0 26,-2.1 -2,-0.3 2,-0.3 0.752 77.6 16.8 -94.3 -25.8 8.1 24.9 15.4 112 112 A M E -ef 78 137B 3 -35,-1.8 -33,-2.6 24,-0.2 2,-0.3 -0.987 60.7-152.1-146.0 154.2 7.7 22.8 12.3 113 113 A I E -ef 79 138B 0 24,-2.2 26,-2.9 -2,-0.3 2,-0.4 -0.953 17.2-131.7-127.2 150.0 4.9 21.4 10.2 114 114 A D E - f 0 139B 0 -35,-2.2 2,-0.4 -2,-0.3 -33,-0.4 -0.853 24.5-172.5 -99.4 130.8 5.0 18.3 8.0 115 115 A L E - f 0 140B 0 24,-2.6 26,-2.1 -2,-0.4 2,-0.4 -0.991 21.4-130.7-125.7 121.9 3.6 18.9 4.4 116 116 A E E > - f 0 141B 8 -2,-0.4 3,-2.1 24,-0.2 4,-0.2 -0.639 10.3-143.0 -74.4 125.9 3.0 16.0 2.1 117 117 A L G > S+ 0 0 7 24,-2.6 3,-1.4 -2,-0.4 7,-0.2 0.845 97.5 60.3 -52.2 -44.5 4.6 16.7 -1.3 118 118 A F G 3 S+ 0 0 122 23,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.363 74.5 95.8 -71.4 11.2 1.7 15.0 -3.2 119 119 A T G < S- 0 0 29 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.1 0.841 108.9 -80.9 -64.3 -33.8 -0.8 17.4 -1.8 120 120 A G <> - 0 0 29 -3,-1.4 4,-3.0 -4,-0.2 5,-0.3 -0.216 33.2-108.6 136.0 130.8 -0.3 19.4 -5.0 121 121 A D H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.852 113.4 48.5 -54.6 -41.9 2.5 21.8 -6.1 122 122 A A H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 116.7 41.6 -67.0 -45.5 0.5 25.0 -6.0 123 123 A D H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.878 114.9 52.2 -66.2 -39.3 -1.0 24.4 -2.5 124 124 A V H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.963 111.4 45.9 -61.6 -50.1 2.3 23.0 -1.2 125 125 A K H X S+ 0 0 111 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.902 111.4 52.5 -60.7 -35.3 4.2 26.1 -2.4 126 126 A A H X S+ 0 0 40 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.925 112.3 44.4 -65.0 -45.3 1.6 28.4 -1.0 127 127 A T H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.894 110.8 54.0 -65.4 -42.3 1.7 26.8 2.5 128 128 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.931 110.6 47.6 -57.4 -42.4 5.5 26.7 2.5 129 129 A D H X S+ 0 0 80 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.929 111.7 49.6 -66.3 -41.9 5.5 30.4 1.8 130 130 A Y H X S+ 0 0 65 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.911 112.0 49.1 -63.0 -44.0 2.9 31.0 4.6 131 131 A A H ><>S+ 0 0 0 -4,-3.3 5,-2.4 1,-0.2 3,-1.3 0.964 109.8 50.1 -57.5 -46.7 4.9 29.0 7.0 132 132 A H H ><5S+ 0 0 74 -4,-2.2 3,-1.6 -5,-0.3 -1,-0.2 0.912 104.4 58.1 -60.6 -39.7 8.2 30.8 6.2 133 133 A A H 3<5S+ 0 0 78 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.646 111.4 44.2 -65.4 -19.6 6.5 34.2 6.7 134 134 A H T <<5S- 0 0 81 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.139 119.0-109.2-112.7 20.6 5.7 33.1 10.3 135 135 A N T < 5S+ 0 0 140 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.817 72.4 138.8 55.0 40.7 9.1 31.6 11.0 136 136 A V < - 0 0 6 -5,-2.4 -24,-0.2 -8,-0.1 -1,-0.2 -0.958 47.2-134.0-112.1 135.2 7.8 27.9 10.9 137 137 A Y E -f 112 0B 73 -26,-2.1 -24,-2.2 -2,-0.4 2,-0.5 -0.475 15.6-134.4 -88.1 157.9 10.1 25.3 9.2 138 138 A V E -f 113 0B 0 -26,-0.2 30,-2.1 27,-0.2 29,-1.5 -0.971 11.8-163.0-120.5 126.0 8.6 22.8 6.8 139 139 A V E -fg 114 168B 6 -26,-2.9 -24,-2.6 -2,-0.5 2,-0.5 -0.938 21.8-158.2 -96.5 113.8 9.4 19.0 6.8 140 140 A M E -fg 115 169B 0 28,-1.3 30,-2.1 -2,-0.7 2,-0.3 -0.905 21.0-169.1 -97.3 127.0 8.1 18.1 3.2 141 141 A S E -fg 116 170B 0 -26,-2.1 -24,-2.6 -2,-0.5 -23,-0.4 -0.813 30.4-178.2-129.2 169.4 7.4 14.5 3.0 142 142 A N E - g 0 171B 3 28,-1.1 30,-1.7 -2,-0.3 2,-0.4 -0.958 10.4-169.1-155.4 137.7 6.5 11.4 1.0 143 143 A H E - g 0 172B 14 -2,-0.3 2,-0.6 28,-0.2 30,-0.2 -0.999 11.9-170.3-134.9 132.6 5.8 7.9 2.0 144 144 A D E - g 0 173B 24 28,-2.3 30,-1.6 -2,-0.4 -58,-0.1 -0.951 7.7-179.3-121.9 100.3 5.5 4.7 0.0 145 145 A F S S+ 0 0 88 -2,-0.6 -1,-0.1 28,-0.2 28,-0.1 0.439 77.5 46.5 -78.5 -1.6 4.1 2.1 2.4 146 146 A H S S- 0 0 118 1,-0.3 2,-0.3 28,-0.1 -1,-0.2 0.728 115.6 -8.6-107.9 -36.3 4.2 -0.6 -0.3 147 147 A Q - 0 0 90 -3,-0.0 27,-1.1 29,-0.0 -1,-0.3 -0.931 62.6 -97.9-158.2 176.0 7.5 -0.6 -2.1 148 148 A T - 0 0 12 -2,-0.3 3,-0.1 25,-0.2 28,-0.1 -0.929 32.9-142.2-111.5 117.1 10.8 1.1 -2.8 149 149 A P - 0 0 4 0, 0.0 -5,-0.0 0, 0.0 24,-0.0 -0.115 39.1 -81.3 -63.5 170.0 11.1 3.3 -5.8 150 150 A S > - 0 0 50 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.289 40.8-109.1 -69.8 163.5 14.3 3.3 -7.8 151 151 A A H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 120.6 53.1 -60.6 -40.6 17.2 5.4 -6.6 152 152 A E H > S+ 0 0 147 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.908 108.7 49.1 -60.1 -42.0 16.8 7.8 -9.5 153 153 A E H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 112.0 48.5 -63.2 -44.3 13.1 8.3 -8.6 154 154 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.925 111.5 49.0 -65.4 -45.1 13.8 9.0 -5.0 155 155 A V H X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.945 111.6 49.2 -61.1 -43.3 16.5 11.5 -5.7 156 156 A S H X S+ 0 0 63 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.881 111.0 50.3 -66.8 -30.7 14.3 13.4 -8.2 157 157 A R H X S+ 0 0 49 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.932 112.1 47.1 -67.8 -43.7 11.4 13.4 -5.6 158 158 A L H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.934 111.7 50.8 -61.8 -40.4 13.8 14.8 -2.9 159 159 A R H X S+ 0 0 112 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.899 106.9 54.6 -64.8 -35.5 15.1 17.4 -5.4 160 160 A K H X S+ 0 0 91 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.937 106.6 51.7 -64.1 -44.6 11.5 18.4 -6.2 161 161 A M H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 4,-0.3 0.927 108.7 50.0 -59.0 -41.7 10.9 19.0 -2.5 162 162 A Q H ><5S+ 0 0 21 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.922 110.0 52.1 -63.7 -39.1 14.0 21.2 -2.3 163 163 A A H 3<5S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.801 105.1 54.3 -66.2 -33.1 12.7 23.1 -5.3 164 164 A L T 3<5S- 0 0 20 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.415 126.3-100.1 -81.1 2.0 9.3 23.7 -3.7 165 165 A G T < 5 + 0 0 22 -3,-1.1 -3,-0.2 -4,-0.3 -27,-0.2 0.520 58.8 169.0 95.0 7.2 11.1 25.2 -0.7 166 166 A A < - 0 0 0 -5,-2.4 -1,-0.2 1,-0.2 -27,-0.1 -0.219 28.4-154.8 -53.3 138.7 11.2 22.5 1.8 167 167 A D S S+ 0 0 26 -29,-1.5 -28,-0.2 1,-0.3 -1,-0.2 0.877 91.0 14.3 -75.7 -40.2 13.4 23.2 4.9 168 168 A I E S-g 139 0B 3 -30,-2.1 -28,-1.3 30,-0.1 -1,-0.3 -0.816 76.5-152.1-139.8 103.2 13.8 19.4 5.3 169 169 A P E -g 140 0B 0 0, 0.0 32,-1.9 0, 0.0 2,-0.4 -0.472 18.7-170.1 -69.5 144.1 12.8 16.9 2.6 170 170 A K E +gh 141 201B 11 -30,-2.1 -28,-1.1 30,-0.2 2,-0.4 -0.999 12.1 179.6-140.1 136.0 11.8 13.5 4.0 171 171 A I E -gh 142 202B 0 30,-2.2 32,-1.3 -2,-0.4 2,-0.4 -0.998 3.2-175.2-137.8 142.2 11.1 10.2 2.3 172 172 A A E +gh 143 203B 3 -30,-1.7 -28,-2.3 -2,-0.4 2,-0.3 -0.997 13.2 178.1-135.2 128.1 10.1 6.9 3.9 173 173 A V E -gh 144 204B 0 30,-2.4 32,-3.0 -2,-0.4 -25,-0.2 -0.931 27.3-118.9-134.4 156.7 9.8 3.8 1.8 174 174 A M - 0 0 45 -30,-1.6 2,-0.2 -27,-1.1 32,-0.1 -0.773 25.6-137.3 -97.1 124.7 9.0 0.1 2.3 175 175 A P - 0 0 14 0, 0.0 33,-0.1 0, 0.0 34,-0.1 -0.661 17.9-174.8 -77.6 141.2 11.5 -2.5 1.4 176 176 A Q S S+ 0 0 144 -2,-0.2 2,-0.3 1,-0.1 3,-0.0 0.398 78.4 5.9-106.1 -9.6 10.5 -5.7 -0.5 177 177 A S S > S- 0 0 43 1,-0.1 4,-0.7 31,-0.0 3,-0.4 -0.928 83.1 -97.8-158.0 174.0 13.9 -7.1 -0.3 178 178 A K H > S+ 0 0 150 -2,-0.3 4,-1.7 1,-0.2 3,-0.5 0.808 121.7 63.5 -71.5 -27.2 17.4 -6.4 1.3 179 179 A H H > S+ 0 0 144 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 95.0 58.2 -60.1 -37.1 18.3 -4.9 -2.0 180 180 A D H > S+ 0 0 30 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.829 101.8 56.2 -63.6 -31.1 15.6 -2.2 -1.6 181 181 A V H X S+ 0 0 9 -4,-0.7 4,-2.4 -3,-0.5 -1,-0.2 0.926 106.4 49.0 -67.0 -44.4 17.4 -1.2 1.7 182 182 A L H X S+ 0 0 105 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.904 107.6 56.1 -61.7 -35.9 20.7 -0.6 -0.2 183 183 A T H X S+ 0 0 40 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.912 106.9 48.3 -62.4 -41.4 18.7 1.4 -2.8 184 184 A L H X S+ 0 0 2 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.940 113.0 48.1 -65.3 -45.2 17.4 3.8 -0.1 185 185 A L H X S+ 0 0 21 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.900 111.6 50.9 -62.2 -36.4 21.0 4.2 1.3 186 186 A T H X S+ 0 0 83 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.920 109.7 48.5 -64.2 -44.7 22.4 4.8 -2.2 187 187 A A H X S+ 0 0 2 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.918 110.7 53.0 -64.7 -35.6 19.8 7.5 -2.9 188 188 A T H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.957 111.1 45.4 -62.3 -47.8 20.6 9.1 0.5 189 189 A L H X S+ 0 0 60 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.887 110.6 53.0 -64.5 -40.9 24.3 9.2 -0.3 190 190 A E H X>S+ 0 0 76 -4,-2.9 4,-2.9 2,-0.2 5,-0.7 0.930 112.1 46.6 -59.5 -45.2 23.7 10.6 -3.9 191 191 A M H X>S+ 0 0 1 -4,-2.1 5,-2.8 -5,-0.2 4,-1.6 0.966 113.5 49.2 -60.0 -49.3 21.5 13.4 -2.4 192 192 A Q H <5S+ 0 0 84 -4,-2.6 -2,-0.2 27,-0.3 -1,-0.2 0.926 117.1 39.6 -56.1 -50.7 24.1 14.1 0.3 193 193 A Q H <5S+ 0 0 126 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.841 132.3 12.7 -72.8 -39.1 27.0 14.2 -2.1 194 194 A H H <5S+ 0 0 126 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.671 126.4 22.7-119.1 -17.9 25.5 16.0 -5.0 195 195 A Y T < + 0 0 17 -32,-3.0 4,-0.9 -2,-0.5 5,-0.1 -0.186 53.9 25.3 -80.8 178.0 10.6 0.9 7.0 206 206 A A T 4 S- 0 0 39 2,-0.2 4,-0.4 1,-0.2 3,-0.4 0.151 103.6 -50.6 65.0-175.4 10.0 -2.3 8.7 207 207 A K T >4 S+ 0 0 153 1,-0.2 3,-1.4 2,-0.2 4,-0.2 0.917 134.0 52.9 -62.0 -42.9 12.4 -4.8 10.2 208 208 A E T 34 S+ 0 0 87 1,-0.3 3,-0.4 -33,-0.1 -1,-0.2 0.785 108.6 50.8 -65.4 -24.0 14.5 -5.1 7.1 209 209 A G T >X S+ 0 0 0 -4,-0.9 3,-2.2 -3,-0.4 4,-0.6 0.466 75.9 106.7 -92.2 2.2 15.0 -1.4 6.9 210 210 A V H X> S+ 0 0 35 -3,-1.4 3,-1.3 -4,-0.4 4,-0.7 0.790 70.5 64.2 -49.1 -35.6 16.2 -0.9 10.5 211 211 A I H >> S+ 0 0 87 -3,-0.4 4,-1.8 1,-0.3 3,-1.0 0.835 93.5 63.1 -59.3 -29.1 19.8 -0.3 9.5 212 212 A S H <4 S+ 0 0 5 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.795 100.1 54.3 -66.3 -24.3 18.6 2.9 7.7 213 213 A R H << S+ 0 0 14 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.720 113.3 40.7 -81.1 -17.6 17.5 4.2 11.0 214 214 A L H << S+ 0 0 27 -3,-1.0 3,-0.3 -4,-0.7 -2,-0.2 0.607 109.3 54.8 -99.7 -21.8 21.0 3.7 12.6 215 215 A A >X + 0 0 10 -4,-1.8 4,-1.9 1,-0.2 3,-1.1 0.214 63.8 116.6-102.4 20.4 23.3 4.7 9.8 216 216 A G H 3>>S+ 0 0 6 1,-0.3 4,-2.4 2,-0.2 5,-1.3 0.808 72.5 59.4 -59.4 -30.0 22.2 8.2 9.0 217 217 A E H 345S+ 0 0 69 -3,-0.3 -1,-0.3 3,-0.2 -2,-0.1 0.847 110.2 44.3 -68.1 -26.6 25.4 9.8 10.1 218 218 A V H <45S+ 0 0 76 -3,-1.1 -2,-0.2 1,-0.1 -1,-0.2 0.921 125.2 26.6 -79.5 -49.5 27.3 7.7 7.5 219 219 A F H <5S- 0 0 67 -4,-1.9 -27,-0.3 2,-0.1 -2,-0.2 0.572 117.1 -93.3 -97.8 -7.6 25.0 8.1 4.5 220 220 A G T <5 + 0 0 20 -4,-2.4 2,-0.5 1,-0.3 -20,-0.4 0.753 68.3 140.4 110.6 27.3 23.4 11.4 5.1 221 221 A S < - 0 0 7 -5,-1.3 -1,-0.3 -6,-0.1 -20,-0.2 -0.956 34.1-157.9-103.6 126.6 20.0 11.2 6.9 222 222 A A + 0 0 14 -22,-2.8 -205,-2.5 -2,-0.5 -210,-0.4 0.481 69.0 20.3 -81.5 -8.6 19.7 14.0 9.5 223 223 A A E -b 17 0B 2 -207,-0.3 -21,-0.4 -23,-0.2 2,-0.3 -0.953 60.0-164.9-152.5 163.9 17.0 12.5 11.8 224 224 A T E -b 18 0B 7 -207,-2.6 -205,-2.9 -2,-0.3 2,-0.4 -0.913 21.6-116.6-146.9 166.3 15.6 9.1 12.6 225 225 A F E +b 19 0B 23 -2,-0.3 2,-0.3 -207,-0.2 12,-0.2 -0.927 31.7 171.5-116.4 138.1 12.5 7.9 14.4 226 226 A G - 0 0 6 -207,-2.5 -205,-0.5 -2,-0.4 2,-0.4 -0.830 29.4-109.4-134.5 172.5 12.4 5.9 17.6 227 227 A A B -j 238 0D 18 10,-2.7 12,-3.2 -2,-0.3 2,-0.9 -0.818 29.3-115.4-105.2 143.9 9.9 4.6 20.1 228 228 A V S S- 0 0 16 -2,-0.4 10,-0.1 -207,-0.2 -186,-0.0 -0.645 77.2 -47.3 -79.1 111.9 9.4 5.9 23.6 229 229 A K S S+ 0 0 119 -2,-0.9 10,-0.1 2,-0.0 -189,-0.0 0.202 121.7 49.2 52.3 179.3 10.3 2.9 25.7 230 230 A Q S S- 0 0 142 1,-0.1 2,-0.5 8,-0.1 -2,-0.1 0.752 71.3-146.7 18.0 101.1 8.9 -0.4 24.9 231 231 A A - 0 0 46 1,-0.2 -1,-0.1 5,-0.1 7,-0.1 -0.808 20.3-173.9 -83.3 133.4 9.4 -1.0 21.3 232 232 A S + 0 0 116 -2,-0.5 -1,-0.2 1,-0.1 3,-0.1 0.925 51.8 39.0 -95.0 -61.8 6.3 -3.1 20.4 233 233 A A S > S- 0 0 58 1,-0.2 3,-1.6 2,-0.0 -1,-0.1 -0.532 96.8 -79.3 -91.1 158.4 6.3 -4.4 16.8 234 234 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -27,-0.1 -0.168 115.6 29.5 -50.2 139.2 9.2 -5.7 14.7 235 235 A G T 3 S+ 0 0 8 1,-0.3 2,-0.3 -29,-0.1 -29,-0.1 0.466 88.8 114.6 88.8 -2.4 11.3 -2.9 13.3 236 236 A Q < - 0 0 85 -3,-1.6 2,-0.4 -10,-0.0 -1,-0.3 -0.798 48.9-158.3-102.2 153.2 10.8 -0.4 16.1 237 237 A I - 0 0 25 -2,-0.3 -10,-2.7 -12,-0.2 2,-0.1 -1.000 20.1-121.1-128.6 131.5 13.8 0.6 18.2 238 238 A A B > -j 227 0D 15 -2,-0.4 4,-2.7 -12,-0.2 3,-0.4 -0.372 28.0-116.0 -66.9 146.0 13.3 2.1 21.6 239 239 A V H > S+ 0 0 1 -12,-3.2 4,-2.8 1,-0.2 5,-0.2 0.852 112.9 53.1 -56.9 -34.4 14.9 5.6 21.9 240 240 A N H > S+ 0 0 80 -13,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.934 112.2 45.0 -68.6 -37.3 17.5 4.6 24.5 241 241 A D H > S+ 0 0 96 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.897 113.8 50.4 -65.9 -42.2 18.7 1.7 22.3 242 242 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.947 110.2 49.9 -61.1 -47.1 18.7 4.0 19.3 243 243 A R H X S+ 0 0 51 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.928 108.7 52.1 -59.5 -42.5 20.7 6.7 21.1 244 244 A S H X S+ 0 0 58 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.908 111.2 46.8 -64.3 -40.0 23.3 4.2 22.3 245 245 A V H X S+ 0 0 51 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.917 111.9 50.8 -66.8 -42.6 23.8 2.9 18.7 246 246 A L H X S+ 0 0 6 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.913 111.6 47.6 -61.3 -43.5 24.1 6.5 17.3 247 247 A M H X S+ 0 0 91 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.898 111.2 51.1 -63.5 -43.8 26.7 7.4 19.9 248 248 A I H < S+ 0 0 120 -4,-2.1 4,-0.2 -5,-0.3 -2,-0.2 0.972 112.9 44.7 -58.4 -47.5 28.7 4.3 19.2 249 249 A L H >< S+ 0 0 74 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.905 113.5 51.9 -62.2 -39.5 28.7 5.0 15.5 250 250 A H H 3< S+ 0 0 75 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.928 113.7 42.1 -66.2 -40.1 29.6 8.7 16.1 251 251 A N T 3< 0 0 117 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.281 360.0 360.0 -94.4 16.2 32.5 7.9 18.3 252 252 A A < 0 0 140 -3,-1.0 -3,-0.0 -4,-0.2 -4,-0.0 -0.534 360.0 360.0 -79.0 360.0 34.0 5.1 16.3