==== 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 VIRAL PROTEIN 07-FEB-06 2FYG . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR J.S.JOSEPH,K.S.SAIKATENDU,V.SUBRAMANIAN,B.W.NEUMAN,A.BROOUN, . 128 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 48.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0.8 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 . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A H 0 0 235 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-126.3 29.5 31.1 16.0 2 6 A H - 0 0 126 2,-0.0 0, 0.0 1,-0.0 0, 0.0 0.966 360.0-143.3 32.5 87.3 26.9 28.5 15.4 3 7 A H - 0 0 151 1,-0.1 2,-0.4 2,-0.0 -1,-0.0 -0.053 27.1-130.4 -31.2 146.7 27.8 25.4 13.6 4 8 A H - 0 0 72 4,-0.0 2,-0.4 3,-0.0 -1,-0.1 -0.983 18.7-165.2-136.6 150.4 25.0 24.3 11.3 5 9 A H >> - 0 0 107 -2,-0.4 4,-1.3 1,-0.1 3,-0.6 -0.987 17.2-155.7-140.5 112.4 23.3 21.1 10.8 6 10 A N H 3> S+ 0 0 28 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.875 99.6 57.0 -58.6 -40.2 21.0 20.1 7.9 7 11 A S H 3> S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.817 100.9 58.3 -64.5 -29.0 19.3 17.5 10.1 8 12 A T H <> S+ 0 0 79 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.929 110.4 42.4 -62.6 -47.7 18.4 20.2 12.6 9 13 A V H X S+ 0 0 7 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.928 115.9 47.9 -65.7 -47.8 16.5 22.1 9.9 10 14 A L H X S+ 0 0 22 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.885 111.8 50.6 -63.1 -38.6 14.9 19.0 8.4 11 15 A S H X S+ 0 0 56 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.951 109.6 51.1 -61.4 -50.6 13.8 17.8 11.9 12 16 A F H < S+ 0 0 131 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.907 117.3 39.0 -51.9 -47.6 12.3 21.2 12.6 13 17 A C H >< S+ 0 0 0 -4,-2.3 3,-1.0 2,-0.2 -1,-0.2 0.901 111.6 56.8 -72.2 -43.3 10.3 21.1 9.4 14 18 A A H 3< S+ 0 0 19 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.861 113.3 40.5 -55.2 -42.9 9.4 17.4 9.5 15 19 A F T 3< S+ 0 0 171 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.432 92.8 106.9 -91.8 -0.0 7.7 17.8 13.0 16 20 A A S < S- 0 0 29 -3,-1.0 4,-0.1 -4,-0.4 -3,-0.0 -0.451 75.9-129.5 -72.4 145.9 6.0 21.1 12.1 17 21 A V S S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.872 109.4 30.6 -66.8 -29.0 2.3 21.0 11.6 18 22 A D S > S+ 0 0 83 1,-0.1 4,-2.3 2,-0.0 -1,-0.3 -0.822 73.5 179.3-124.9 91.1 2.9 22.9 8.3 19 23 A P H > S+ 0 0 19 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.864 79.7 54.5 -63.3 -36.1 6.4 21.9 7.0 20 24 A A H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.917 112.0 43.3 -62.4 -45.3 6.3 24.1 3.9 21 25 A K H > S+ 0 0 115 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.885 110.8 56.5 -66.1 -39.6 5.5 27.2 5.9 22 26 A A H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.937 111.7 42.6 -55.6 -47.0 8.2 26.3 8.6 23 27 A Y H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.930 114.3 50.5 -68.4 -43.3 10.8 26.1 5.8 24 28 A K H X S+ 0 0 136 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.931 113.6 44.3 -58.9 -48.6 9.6 29.3 4.1 25 29 A D H X S+ 0 0 70 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.867 111.4 55.2 -66.8 -36.4 9.6 31.2 7.4 26 30 A Y H <>S+ 0 0 45 -4,-2.3 5,-2.3 -5,-0.3 3,-0.2 0.952 110.1 44.8 -62.0 -46.9 13.0 29.8 8.3 27 31 A L H ><5S+ 0 0 34 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.919 110.0 55.2 -61.2 -43.2 14.6 31.0 5.0 28 32 A A H 3<5S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.830 103.3 57.5 -60.0 -30.1 12.9 34.4 5.4 29 33 A S T 3<5S- 0 0 95 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.449 129.5 -95.7 -78.1 -1.2 14.6 34.6 8.8 30 34 A G T < 5 + 0 0 67 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.2 0.555 70.0 160.1 95.8 11.4 18.1 34.2 7.2 31 35 A G < - 0 0 17 -5,-2.3 -1,-0.2 -6,-0.2 -5,-0.0 -0.287 47.4-101.6 -67.1 151.6 18.4 30.4 7.7 32 36 A Q - 0 0 105 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.589 42.0-114.3 -73.3 125.2 20.8 28.3 5.7 33 37 A P - 0 0 32 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.121 40.1 -86.2 -56.3 157.0 19.0 26.4 2.9 34 38 A I - 0 0 0 1,-0.1 70,-0.3 -25,-0.1 3,-0.2 -0.435 56.2-162.7 -63.1 131.2 18.9 22.6 3.0 35 39 A T + 0 0 73 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.373 54.7 63.2-111.2-172.6 22.0 21.3 1.4 36 40 A N + 0 0 130 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.651 55.8 162.5 69.0 18.8 23.3 18.0 -0.1 37 41 A C - 0 0 17 -3,-0.2 2,-0.8 1,-0.1 -1,-0.2 -0.405 52.0-102.3 -60.5 149.0 20.7 17.8 -2.9 38 42 A V - 0 0 79 27,-0.4 27,-2.6 -3,-0.1 2,-0.4 -0.689 36.5-153.8 -92.0 107.7 22.1 15.3 -5.3 39 43 A K B -A 64 0A 121 -2,-0.8 25,-0.3 25,-0.2 2,-0.2 -0.655 11.8-139.2 -88.6 133.0 23.7 17.0 -8.3 40 44 A M - 0 0 48 23,-3.0 2,-0.5 -2,-0.4 23,-0.4 -0.598 13.3-118.3 -91.4 147.9 23.9 15.1 -11.6 41 45 A L + 0 0 172 -2,-0.2 2,-0.3 2,-0.0 -1,-0.0 -0.709 54.5 153.0 -73.6 124.0 26.6 14.8 -14.2 42 46 A C - 0 0 26 -2,-0.5 14,-0.1 1,-0.0 21,-0.0 -0.980 55.8-116.5-152.6 165.7 25.0 16.2 -17.4 43 47 A T - 0 0 107 -2,-0.3 15,-0.0 12,-0.2 -1,-0.0 0.705 38.0-136.0 -74.1 -22.0 25.8 17.9 -20.7 44 48 A H S S+ 0 0 57 13,-0.1 17,-0.1 1,-0.1 14,-0.1 0.756 82.7 100.2 60.8 29.2 23.9 21.1 -20.0 45 49 A T + 0 0 118 13,-0.2 13,-0.2 14,-0.1 12,-0.1 -0.021 54.6 121.0-124.1 27.8 22.5 21.0 -23.5 46 50 A G S S- 0 0 21 11,-2.6 13,-0.2 1,-0.1 10,-0.1 -0.087 81.3 -87.7 -84.6-172.8 19.1 19.5 -22.5 47 51 A T - 0 0 69 1,-0.1 10,-0.1 11,-0.1 11,-0.1 0.732 47.3-131.1 -69.9 -24.9 15.6 20.9 -23.0 48 52 A G + 0 0 1 8,-2.4 71,-0.4 1,-0.2 9,-0.1 0.501 51.4 154.9 79.9 5.1 15.5 22.9 -19.8 49 53 A Q - 0 0 74 7,-0.2 69,-0.3 69,-0.1 -1,-0.2 -0.272 49.4-119.5 -61.6 153.0 12.1 21.5 -18.8 50 54 A A S S+ 0 0 0 67,-3.0 44,-2.7 1,-0.2 2,-0.4 0.911 90.6 18.1 -66.6 -52.8 11.5 21.5 -15.1 51 55 A I E S+B 93 0A 46 66,-0.4 2,-0.3 42,-0.2 -1,-0.2 -0.976 78.5 166.9-132.9 118.3 11.0 17.8 -14.2 52 56 A T E -B 92 0A 11 40,-2.8 40,-2.5 -2,-0.4 14,-0.1 -0.800 48.0-115.1-136.6 165.3 12.2 15.1 -16.5 53 57 A V S S+ 0 0 107 -2,-0.3 40,-0.1 38,-0.2 -1,-0.1 0.807 105.7 15.3 -73.5 -31.3 12.9 11.4 -16.9 54 58 A T S S- 0 0 76 38,-0.1 38,-0.2 37,-0.0 -1,-0.1 -0.891 110.6 -67.1-131.5 164.6 16.6 12.0 -17.4 55 59 A P + 0 0 39 0, 0.0 -12,-0.2 0, 0.0 -2,-0.1 -0.296 48.5 172.1 -56.6 135.0 18.6 15.1 -16.7 56 60 A E + 0 0 50 -7,-0.2 -8,-2.4 -10,-0.1 -7,-0.2 0.072 14.0 155.2-133.0 25.4 17.7 18.0 -19.0 57 61 A A - 0 0 1 -10,-0.1 -11,-2.6 -9,-0.1 -13,-0.1 -0.246 27.8-153.0 -54.9 136.2 19.7 21.0 -17.6 58 62 A N > - 0 0 45 -13,-0.2 3,-1.4 -11,-0.1 -13,-0.2 -0.222 44.4 -74.9 -88.3-167.2 20.4 23.7 -20.2 59 63 A M T 3 S+ 0 0 155 1,-0.3 -14,-0.1 -13,-0.2 -2,-0.1 0.712 132.7 48.4 -62.5 -22.6 23.3 26.1 -20.0 60 64 A D T 3 S+ 0 0 109 -16,-0.0 37,-2.6 37,-0.0 38,-0.3 0.137 107.8 63.0-109.0 19.4 21.7 28.1 -17.3 61 65 A Q E < - C 0 96A 7 -3,-1.4 2,-0.3 35,-0.3 33,-0.1 -0.896 62.0-139.2-136.8 166.2 20.7 25.2 -15.0 62 66 A E E - C 0 95A 37 33,-2.3 33,-2.8 -2,-0.3 2,-0.4 -0.928 22.9-135.8-117.7 152.2 21.8 22.3 -12.8 63 67 A S E - C 0 94A 0 -23,-0.4 -23,-3.0 -2,-0.3 2,-0.3 -0.908 25.2-179.2-109.7 135.1 20.1 18.9 -12.7 64 68 A F E -AC 39 93A 8 29,-2.5 29,-2.6 -2,-0.4 -25,-0.2 -0.944 39.4 -90.6-128.4 156.8 19.4 17.2 -9.4 65 69 A G E > - C 0 92A 12 -27,-2.6 4,-0.5 -2,-0.3 3,-0.4 -0.443 42.8-131.7 -61.5 131.5 17.9 13.9 -8.3 66 70 A G T >4 S+ 0 0 1 25,-2.8 3,-1.7 22,-0.3 23,-0.3 0.896 99.6 50.5 -59.5 -50.9 14.2 14.8 -7.8 67 71 A A G >4 S+ 0 0 34 21,-0.4 3,-1.6 24,-0.3 7,-0.3 0.847 104.0 60.1 -58.5 -32.0 13.6 13.2 -4.3 68 72 A S G 34 S+ 0 0 16 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.683 106.8 48.1 -71.6 -15.2 16.7 15.0 -2.9 69 73 A C G << S+ 0 0 0 -3,-1.7 2,-0.5 -4,-0.5 -1,-0.3 0.199 91.8 97.1-104.5 10.9 15.0 18.4 -3.9 70 74 A C <> - 0 0 6 -3,-1.6 4,-2.7 1,-0.1 5,-0.2 -0.909 63.1-151.8-108.1 121.0 11.6 17.5 -2.3 71 75 A L H > S+ 0 0 2 -2,-0.5 4,-1.9 33,-0.3 5,-0.2 0.905 98.3 48.6 -58.4 -40.0 10.9 18.8 1.2 72 76 A Y H >>S+ 0 0 39 2,-0.2 5,-2.3 1,-0.2 4,-0.9 0.921 113.4 45.0 -70.6 -42.1 8.5 15.9 1.9 73 77 A C H 45S+ 0 0 25 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.917 114.8 49.0 -61.9 -45.6 11.0 13.2 0.7 74 78 A R H <5S+ 0 0 44 -4,-2.7 -2,-0.2 -7,-0.3 -1,-0.2 0.786 114.4 45.1 -67.0 -31.5 13.8 14.8 2.5 75 79 A C H <5S- 0 0 13 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.552 107.5-127.6 -85.7 -10.3 11.8 15.0 5.8 76 80 A H T <5 + 0 0 170 -4,-0.9 2,-0.3 -3,-0.5 -3,-0.2 0.890 65.4 129.9 61.9 41.7 10.5 11.4 5.3 77 81 A I < - 0 0 49 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.795 65.9 -83.0-120.5 165.0 6.9 12.6 5.7 78 82 A D - 0 0 150 -2,-0.3 -1,-0.1 -3,-0.1 7,-0.1 -0.318 48.6-112.4 -65.8 148.8 3.7 12.0 3.7 79 83 A H - 0 0 35 5,-0.2 2,-2.0 2,-0.1 5,-0.2 -0.605 30.4-104.7 -84.3 149.1 3.1 14.3 0.7 80 84 A P S S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.388 89.4 79.3 -81.8 59.9 0.3 16.9 0.7 81 85 A N S > S- 0 0 61 -2,-2.0 3,-1.7 1,-0.0 -2,-0.1 -0.943 88.0-108.2-155.0 150.5 -2.3 15.3 -1.6 82 86 A P T 3 S+ 0 0 142 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.788 119.4 49.1 -47.3 -37.0 -4.9 12.4 -1.0 83 87 A K T 3 S- 0 0 186 2,-0.1 3,-0.1 -3,-0.0 -4,-0.0 0.688 102.4-130.5 -77.7 -20.5 -2.8 10.0 -3.1 84 88 A G < + 0 0 39 -3,-1.7 2,-0.3 1,-0.2 -5,-0.2 0.771 50.3 164.5 71.1 28.3 0.5 10.7 -1.3 85 89 A F - 0 0 130 -6,-0.1 2,-0.5 -7,-0.1 -1,-0.2 -0.608 29.4-153.2 -88.6 134.1 2.0 11.2 -4.8 86 90 A C - 0 0 17 -2,-0.3 -19,-0.1 -3,-0.1 -16,-0.0 -0.936 7.1-162.7-107.6 123.5 5.4 12.9 -5.3 87 91 A D S S+ 0 0 104 -2,-0.5 -1,-0.1 1,-0.2 -21,-0.1 0.579 91.2 45.5 -72.9 -15.3 6.0 14.6 -8.7 88 92 A L S > S+ 0 0 16 -22,-0.1 3,-2.1 3,-0.1 -21,-0.4 0.793 82.0 104.7 -99.8 -37.2 9.8 14.7 -8.1 89 93 A K T 3 S+ 0 0 147 -23,-0.3 3,-0.1 1,-0.3 -3,-0.1 -0.214 93.9 8.0 -58.4 130.2 10.6 11.2 -6.8 90 94 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.379 117.9 87.2 83.0 -5.7 12.4 9.0 -9.4 91 95 A K S < S- 0 0 81 -3,-2.1 -25,-2.8 -37,-0.0 2,-0.4 -0.464 78.2-110.8-113.0-176.2 12.7 11.9 -11.8 92 96 A Y E -BC 52 65A 70 -40,-2.5 -40,-2.8 -27,-0.2 2,-0.4 -0.967 23.6-150.2-122.2 136.8 15.3 14.7 -12.3 93 97 A V E -BC 51 64A 0 -29,-2.6 -29,-2.5 -2,-0.4 2,-0.5 -0.927 5.8-143.2-113.5 133.8 14.7 18.4 -11.6 94 98 A Q E - C 0 63A 0 -44,-2.7 -31,-0.2 -2,-0.4 25,-0.1 -0.803 18.2-170.2 -94.5 127.4 16.3 21.3 -13.4 95 99 A I E - C 0 62A 0 -33,-2.8 -33,-2.3 -2,-0.5 5,-0.1 -0.968 29.2-111.0-120.7 131.1 17.1 24.3 -11.2 96 100 A P E >> - C 0 61A 11 0, 0.0 3,-2.2 0, 0.0 4,-0.6 -0.304 30.1-121.9 -57.2 141.6 18.2 27.7 -12.5 97 101 A T G >4 S+ 0 0 71 -37,-2.6 3,-1.3 1,-0.3 4,-0.3 0.879 111.1 60.4 -57.1 -36.7 21.9 28.2 -11.6 98 102 A T G 34 S+ 0 0 120 -38,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.683 114.4 36.2 -61.1 -20.9 21.0 31.5 -9.7 99 103 A C G X4 S+ 0 0 18 -3,-2.2 3,-2.1 1,-0.1 -1,-0.3 0.303 83.7 105.0-113.5 5.2 18.8 29.4 -7.4 100 104 A A T << + 0 0 20 -3,-1.3 -2,-0.1 -4,-0.6 -1,-0.1 0.603 65.0 75.3 -71.0 -11.2 20.8 26.2 -7.2 101 105 A N T 3 S+ 0 0 114 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.684 110.7 28.1 -64.3 -18.3 21.9 27.2 -3.6 102 106 A D <> + 0 0 6 -3,-2.1 4,-2.4 1,-0.1 -1,-0.2 -0.491 64.5 158.9-146.4 67.5 18.4 26.1 -2.5 103 107 A P H > S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.862 79.9 54.1 -60.0 -36.4 16.7 23.5 -4.8 104 108 A V H > S+ 0 0 0 -70,-0.3 4,-1.7 1,-0.2 -33,-0.3 0.938 112.0 44.0 -65.6 -46.2 14.3 22.4 -2.1 105 109 A G H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 111.7 55.8 -59.9 -39.1 13.1 26.1 -1.7 106 110 A F H X S+ 0 0 0 -4,-2.4 4,-1.4 -7,-0.2 -2,-0.2 0.939 108.3 44.8 -61.4 -49.6 13.0 26.5 -5.4 107 111 A T H < S+ 0 0 20 -4,-2.4 -1,-0.2 -38,-0.2 -2,-0.2 0.843 114.3 51.4 -65.3 -33.0 10.7 23.5 -6.0 108 112 A L H < S+ 0 0 58 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.898 114.7 40.6 -67.2 -42.4 8.4 24.6 -3.1 109 113 A R H < S+ 0 0 129 -4,-2.5 2,-0.2 -5,-0.1 -1,-0.2 0.679 109.9 66.2 -82.5 -20.2 8.0 28.2 -4.3 110 114 A N < - 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