==== 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 LYASE 26-JUN-00 1F7B . COMPND 2 MOLECULE: N-ACETYL-NEURAMINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR J.A.R.G.BARBOSA,B.J.SMITH,R.DEGORI,M.C.LAWRENCE . 578 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 38 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.6 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 0 2 0 2 0 3 1 0 2 4 4 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 5 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 1 A M 0 0 148 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 155.1 20.7 23.1 -2.1 2 2 A R - 0 0 119 1,-0.1 0, 0.0 99,-0.1 0, 0.0 -0.344 360.0-100.6 -49.6 122.0 17.3 24.9 -2.4 3 3 A D - 0 0 91 1,-0.1 -1,-0.1 -2,-0.1 72,-0.1 -0.153 37.3-172.0 -50.2 130.3 16.7 25.8 1.2 4 4 A L + 0 0 2 -3,-0.1 -1,-0.1 71,-0.1 -2,-0.1 0.315 46.0 111.5-110.0 7.0 14.3 23.4 3.0 5 5 A K + 0 0 92 198,-0.1 2,-0.2 35,-0.1 198,-0.2 -0.330 56.3 32.2 -79.5 163.7 13.8 25.3 6.3 6 6 A G E S-a 203 0A 8 196,-2.1 198,-2.5 2,-0.1 2,-0.6 -0.613 96.3 -3.7 105.2-155.6 10.5 27.0 7.3 7 7 A I E +a 204 0A 1 -2,-0.2 33,-2.6 196,-0.2 34,-1.5 -0.751 54.3 176.8 -93.7 117.0 6.8 26.5 6.9 8 8 A F E -ab 205 41A 0 196,-2.9 198,-2.0 -2,-0.6 2,-0.4 -0.973 20.8-143.3-121.4 124.3 5.6 23.6 4.7 9 9 A S E -ab 206 42A 0 32,-1.6 34,-2.6 -2,-0.5 2,-1.0 -0.714 20.7-127.6 -81.5 138.1 2.0 22.7 4.1 10 10 A A E - b 0 43A 2 196,-2.3 34,-0.2 -2,-0.4 200,-0.2 -0.743 44.3-116.8 -79.8 104.2 1.3 18.9 3.8 11 11 A L - 0 0 1 32,-2.1 34,-0.3 -2,-1.0 35,-0.2 -0.291 24.1-147.2 -57.8 125.1 -0.6 19.3 0.6 12 12 A L - 0 0 0 195,-0.1 2,-0.4 37,-0.1 37,-0.2 -0.601 14.5-138.7 -84.1 151.9 -4.2 18.2 0.6 13 13 A V - 0 0 2 35,-0.4 2,-0.5 -2,-0.2 10,-0.1 -0.942 6.5-131.8-118.1 136.7 -5.6 16.8 -2.6 14 14 A S - 0 0 0 -2,-0.4 8,-2.9 8,-0.3 2,-0.3 -0.757 26.2-167.3 -87.4 128.2 -9.0 17.5 -4.2 15 15 A F B -Ij 21 266B 0 252,-1.1 252,-2.9 250,-0.5 6,-0.2 -0.888 16.8-126.0-114.8 150.7 -11.0 14.4 -5.2 16 16 A N > - 0 0 59 4,-3.2 3,-2.1 -2,-0.3 6,-0.1 -0.361 41.5 -93.6 -79.4 173.5 -14.1 14.1 -7.4 17 17 A E T 3 S+ 0 0 146 1,-0.3 -1,-0.1 2,-0.1 257,-0.1 0.833 128.1 52.5 -56.8 -35.9 -17.2 12.2 -6.1 18 18 A D T 3 S- 0 0 123 2,-0.1 -1,-0.3 251,-0.1 3,-0.1 0.426 121.7-105.3 -83.4 2.2 -15.9 9.1 -7.8 19 19 A G S < S+ 0 0 9 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.316 77.8 129.7 94.2 -8.7 -12.4 9.3 -6.1 20 20 A T S S- 0 0 60 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.416 70.6 -87.2 -73.1 158.3 -10.5 10.5 -9.2 21 21 A I B -I 15 0B 14 -6,-0.2 2,-1.0 -3,-0.1 -6,-0.3 -0.475 28.9-141.9 -68.8 136.4 -8.2 13.5 -8.8 22 22 A N > - 0 0 19 -8,-2.9 4,-2.6 1,-0.2 -8,-0.3 -0.861 19.5-172.1 -96.0 95.2 -9.9 16.9 -9.3 23 23 A E H > S+ 0 0 66 -2,-1.0 4,-2.6 1,-0.2 5,-0.2 0.902 81.0 50.2 -58.9 -45.8 -7.0 18.6 -11.1 24 24 A K H > S+ 0 0 142 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 113.7 46.3 -58.8 -45.4 -8.6 22.1 -11.2 25 25 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.898 110.4 52.7 -63.9 -42.7 -9.3 21.8 -7.5 26 26 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -12,-0.2 -2,-0.2 0.939 108.2 51.0 -62.5 -42.8 -5.8 20.5 -6.7 27 27 A R H X S+ 0 0 46 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.912 108.8 52.0 -61.9 -38.7 -4.3 23.5 -8.5 28 28 A Q H X S+ 0 0 61 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.876 108.1 51.2 -64.4 -36.3 -6.5 25.9 -6.5 29 29 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 112.0 47.1 -64.4 -45.0 -5.3 24.2 -3.3 30 30 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.941 112.7 48.5 -60.8 -48.4 -1.6 24.7 -4.4 31 31 A R H X>S+ 0 0 62 -4,-2.8 4,-3.2 1,-0.2 5,-0.5 0.888 109.4 53.3 -59.0 -43.3 -2.3 28.4 -5.4 32 32 A H H X>S+ 0 0 12 -4,-2.4 5,-2.4 -5,-0.2 4,-2.0 0.922 110.8 47.1 -58.7 -43.7 -4.0 29.0 -2.1 33 33 A N H <5S+ 0 0 0 -4,-2.2 6,-1.8 3,-0.2 5,-0.3 0.920 118.9 38.7 -64.3 -45.2 -1.0 27.7 -0.2 34 34 A I H <5S+ 0 0 9 -4,-2.5 -2,-0.2 4,-0.2 -1,-0.2 0.937 127.1 32.0 -71.5 -47.5 1.6 29.7 -2.2 35 35 A D H <5S+ 0 0 57 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.815 134.5 18.3 -84.0 -36.4 -0.3 32.9 -2.6 36 36 A K T < >S- 0 0 1 -3,-0.5 5,-1.3 -35,-0.2 3,-0.7 -0.138 76.5 -81.2 -86.6-169.2 2.2 12.7 2.5 47 47 A S G > 5S+ 0 0 15 1,-0.2 3,-1.9 2,-0.2 5,-0.1 0.922 130.0 56.2 -59.3 -43.7 -0.4 11.4 4.9 48 48 A T G 3 5S+ 0 0 14 1,-0.3 -35,-0.4 2,-0.1 -1,-0.2 0.778 97.8 62.4 -61.6 -26.9 -2.4 14.6 4.5 49 49 A G G < 5S- 0 0 2 -3,-0.7 -1,-0.3 -37,-0.2 -2,-0.2 0.308 112.3-118.9 -77.9 4.0 -2.5 14.1 0.7 50 50 A E T X 5 + 0 0 4 -3,-1.9 3,-1.7 1,-0.1 -3,-0.2 0.685 63.6 153.0 62.2 24.3 -4.5 10.8 1.2 51 51 A N G > < + 0 0 4 -5,-1.3 3,-1.8 1,-0.3 -4,-0.1 0.779 54.4 60.6 -55.5 -43.6 -1.5 9.3 -0.5 52 52 A F G 3 S+ 0 0 70 1,-0.3 -1,-0.3 -6,-0.2 -5,-0.1 0.584 99.9 56.6 -73.8 -4.8 -1.6 5.8 1.0 53 53 A M G < S+ 0 0 47 -3,-1.7 -1,-0.3 2,-0.1 2,-0.2 0.253 97.5 88.3 -97.7 5.9 -5.1 5.1 -0.5 54 54 A L S < S- 0 0 15 -3,-1.8 2,-0.1 -4,-0.1 -4,-0.0 -0.693 76.2-110.9-110.5 163.7 -4.0 5.8 -4.0 55 55 A S > - 0 0 55 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.363 35.5-108.3 -81.5 162.5 -2.4 3.9 -7.0 56 56 A T H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.937 121.7 51.2 -56.0 -43.7 1.1 4.5 -8.2 57 57 A E H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 108.7 50.4 -65.1 -37.9 -0.2 6.3 -11.3 58 58 A E H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 109.4 51.9 -64.0 -40.3 -2.4 8.6 -9.2 59 59 A K H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.918 109.4 49.6 -62.0 -41.9 0.6 9.4 -7.0 60 60 A K H X S+ 0 0 40 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.909 108.4 53.5 -63.4 -41.8 2.6 10.4 -10.1 61 61 A E H X S+ 0 0 61 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.914 108.8 48.5 -60.1 -42.2 -0.3 12.5 -11.4 62 62 A I H X S+ 0 0 8 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.923 111.4 50.6 -65.5 -41.2 -0.4 14.5 -8.1 63 63 A F H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.922 112.4 46.5 -61.5 -44.3 3.4 15.0 -8.3 64 64 A R H X S+ 0 0 89 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.955 113.7 48.0 -62.5 -48.9 3.2 16.2 -11.8 65 65 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.918 111.6 49.2 -59.0 -46.0 0.3 18.6 -11.1 66 66 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.920 114.7 44.0 -65.0 -42.2 1.9 20.1 -8.0 67 67 A K H X S+ 0 0 35 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.874 113.9 50.6 -68.0 -39.1 5.3 20.7 -9.7 68 68 A D H < S+ 0 0 74 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.890 116.3 41.4 -65.2 -39.5 3.6 22.1 -12.9 69 69 A E H < S+ 0 0 41 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.907 121.6 38.8 -75.8 -42.0 1.4 24.5 -10.8 70 70 A A H >< S+ 0 0 2 -4,-2.5 3,-2.2 -5,-0.2 4,-0.2 0.814 81.6 174.0 -79.0 -26.0 4.1 25.6 -8.3 71 71 A K T 3< S- 0 0 122 -4,-2.2 -1,-0.2 -5,-0.3 3,-0.2 -0.420 70.5 -34.4 52.8-121.7 6.9 25.8 -10.9 72 72 A D T 3 S+ 0 0 121 -2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.220 110.6 104.3-115.3 17.3 9.9 27.2 -9.1 73 73 A Q S < S+ 0 0 114 -3,-2.2 2,-0.3 2,-0.0 -2,-0.1 0.827 87.0 17.9 -68.1 -33.9 8.1 29.6 -6.7 74 74 A I S S- 0 0 9 -4,-0.2 -33,-0.2 -3,-0.2 2,-0.2 -0.844 87.2 -89.3-131.8 172.7 8.5 27.4 -3.6 75 75 A A E -c 41 0A 2 -35,-2.6 -33,-1.9 -2,-0.3 2,-0.4 -0.505 42.0-156.2 -76.1 150.5 10.5 24.5 -2.2 76 76 A L E -c 42 0A 2 -35,-0.2 25,-1.6 -2,-0.2 26,-1.0 -0.979 12.1-172.4-136.3 128.3 9.0 21.1 -2.9 77 77 A I E -cd 43 102A 0 -35,-2.6 -33,-2.9 -2,-0.4 2,-0.6 -0.945 13.3-149.3-118.3 135.1 9.5 17.9 -1.0 78 78 A A E -cd 44 103A 0 24,-2.2 26,-2.3 -2,-0.4 2,-0.6 -0.931 2.2-151.8-110.5 115.0 8.1 14.6 -2.4 79 79 A Q E + d 0 104A 0 -35,-3.1 26,-0.2 -2,-0.6 24,-0.0 -0.779 27.6 160.9 -84.0 121.1 7.0 11.9 0.1 80 80 A V + 0 0 0 24,-2.9 11,-0.2 -2,-0.6 12,-0.2 0.275 22.9 130.5-125.9 8.6 7.5 8.6 -1.8 81 81 A G + 0 0 0 23,-0.5 2,-0.3 -36,-0.1 26,-0.1 -0.222 22.6 148.0 -69.4 159.3 7.6 6.0 1.0 82 82 A S - 0 0 10 24,-0.3 6,-0.1 1,-0.0 -2,-0.0 -0.954 61.8 -98.7-171.8 171.7 5.5 2.8 1.0 83 83 A V S S+ 0 0 53 -2,-0.3 2,-0.8 25,-0.1 -1,-0.0 0.750 111.8 73.8 -75.7 -23.5 5.5 -0.8 2.1 84 84 A N > - 0 0 85 1,-0.2 4,-1.9 2,-0.1 5,-0.1 -0.815 66.7-169.7 -91.0 105.0 6.5 -1.5 -1.5 85 85 A L H > S+ 0 0 47 -2,-0.8 4,-2.4 2,-0.2 5,-0.2 0.864 86.8 56.5 -67.5 -31.9 10.2 -0.5 -1.9 86 86 A K H > S+ 0 0 175 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.907 108.3 48.5 -66.0 -36.7 10.1 -0.9 -5.7 87 87 A E H > S+ 0 0 19 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.919 109.5 52.1 -65.8 -42.4 7.2 1.6 -5.8 88 88 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.910 111.7 46.6 -61.0 -41.5 9.1 4.0 -3.5 89 89 A V H X S+ 0 0 17 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.935 112.5 50.2 -65.3 -44.4 12.1 3.8 -5.8 90 90 A E H X S+ 0 0 86 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.934 115.1 42.9 -58.7 -48.6 9.8 4.3 -8.9 91 91 A L H X S+ 0 0 1 -4,-3.1 4,-3.0 -11,-0.2 5,-0.2 0.876 112.4 53.4 -65.8 -39.9 8.2 7.3 -7.3 92 92 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.906 109.6 48.3 -62.4 -41.5 11.5 8.8 -6.0 93 93 A K H X S+ 0 0 94 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.934 113.8 47.3 -62.6 -42.4 13.0 8.6 -9.6 94 94 A Y H X S+ 0 0 62 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.945 112.9 46.7 -66.9 -47.0 9.9 10.3 -11.0 95 95 A A H X>S+ 0 0 0 -4,-3.0 5,-2.2 2,-0.2 4,-0.6 0.885 113.3 51.1 -63.2 -35.4 9.8 13.1 -8.4 96 96 A T H ><5S+ 0 0 44 -4,-2.3 3,-1.3 -5,-0.2 -2,-0.2 0.951 109.6 49.7 -65.6 -43.8 13.6 13.5 -8.9 97 97 A E H 3<5S+ 0 0 168 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.866 106.7 55.9 -60.4 -36.9 13.1 13.8 -12.7 98 98 A L H 3<5S- 0 0 46 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.648 122.5-105.7 -71.8 -17.0 10.3 16.3 -12.2 99 99 A G T <<5 + 0 0 36 -3,-1.3 -3,-0.2 -4,-0.6 -23,-0.1 0.600 55.7 168.1 102.0 14.9 12.7 18.6 -10.2 100 100 A Y < - 0 0 13 -5,-2.2 -1,-0.2 1,-0.1 -23,-0.2 -0.317 36.8-132.3 -57.7 143.3 11.5 18.1 -6.6 101 101 A D S S- 0 0 57 -25,-1.6 2,-0.3 1,-0.2 31,-0.3 0.778 77.4 -6.0 -72.1 -30.5 14.1 19.5 -4.2 102 102 A C E -d 77 0A 1 -26,-1.0 -24,-2.2 29,-0.1 2,-0.2 -0.976 64.8-124.1-159.3 156.6 14.2 16.5 -1.9 103 103 A L E -de 78 133A 1 29,-2.3 31,-1.7 -2,-0.3 2,-0.3 -0.663 21.0-169.8-101.4 161.1 12.6 13.1 -1.2 104 104 A S E -de 79 134A 0 -26,-2.3 -24,-2.9 29,-0.3 -23,-0.5 -0.969 1.5-165.9-142.4 154.1 11.0 11.9 2.0 105 105 A A E - e 0 135A 0 29,-1.8 31,-2.1 -2,-0.3 -26,-0.1 -0.946 20.0-129.6-150.8 128.6 9.7 8.5 3.1 106 106 A V E - e 0 136A 3 -2,-0.3 -24,-0.3 29,-0.2 31,-0.2 -0.314 48.7 -93.5 -60.5 147.6 7.6 7.2 5.8 107 107 A T - 0 0 1 29,-1.4 -1,-0.1 -26,-0.1 37,-0.1 -0.446 56.2 -93.0 -59.7 142.1 9.2 4.2 7.7 108 108 A P - 0 0 6 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.375 59.4-173.8 -59.8 137.3 7.9 1.0 5.9 109 109 A F + 0 0 56 3,-0.1 2,-2.1 -3,-0.1 33,-0.1 -0.493 45.9 55.0-125.0-166.5 4.9 -0.2 7.8 110 110 A Y S S+ 0 0 183 32,-0.3 2,-0.1 -2,-0.2 -27,-0.0 -0.541 103.5 62.0 73.2 -76.3 2.3 -3.0 8.1 111 111 A Y S S- 0 0 150 -2,-2.1 2,-1.4 1,-0.1 0, 0.0 -0.404 99.3-109.7 -70.6 155.6 5.0 -5.7 8.6 112 112 A K - 0 0 182 -2,-0.1 2,-0.1 -3,-0.0 -1,-0.1 -0.641 43.2-167.0 -86.9 82.0 7.3 -5.4 11.6 113 113 A F - 0 0 62 -2,-1.4 2,-0.1 -5,-0.3 -3,-0.0 -0.422 16.3-124.7 -72.1 140.4 10.5 -4.5 9.8 114 114 A S > - 0 0 52 -2,-0.1 4,-2.3 1,-0.1 3,-0.2 -0.386 28.9-104.2 -74.9 168.7 13.8 -4.6 11.8 115 115 A F H > S+ 0 0 33 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.938 122.2 53.4 -61.1 -47.3 16.0 -1.5 12.0 116 116 A P H > S+ 0 0 90 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.886 109.5 49.8 -52.5 -39.9 18.5 -2.9 9.5 117 117 A E H > S+ 0 0 102 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.927 111.1 48.8 -67.8 -40.2 15.6 -3.5 7.1 118 118 A I H X S+ 0 0 6 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.941 112.3 48.6 -63.4 -46.0 14.4 0.1 7.7 119 119 A K H X S+ 0 0 39 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.923 109.8 51.2 -61.3 -41.8 18.0 1.4 7.1 120 120 A H H X S+ 0 0 117 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.862 107.0 56.4 -62.7 -34.5 18.3 -0.6 3.9 121 121 A Y H X S+ 0 0 9 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.963 110.9 41.3 -62.6 -50.1 15.0 0.9 2.7 122 122 A Y H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.944 115.0 51.1 -64.4 -45.2 16.3 4.4 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