==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JUL-11 3SPX . COMPND 2 MOLECULE: O-ACETYL SERINE SULFHYDRYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA DONOVANI; . AUTHOR I.RAJ,S.GOURINATH . 320 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.5 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 . 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 . 22 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 0 0 1 1 2 0 0 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 4 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 . 2 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 . 0 0 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 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 2 A A 0 0 102 0, 0.0 3,-0.1 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 32.7 124.7 10.3 18.6 2 3 A A - 0 0 84 1,-0.1 162,-0.0 0, 0.0 0, 0.0 -0.326 360.0 -82.4 -59.7 144.4 123.7 9.4 22.1 3 4 A P - 0 0 125 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.339 52.7-179.9 -52.6 144.1 121.5 6.1 22.2 4 5 A F - 0 0 50 12,-0.1 2,-1.0 -3,-0.1 3,-0.1 -0.951 30.2-128.2-156.5 107.1 117.7 6.9 21.3 5 6 A D >> - 0 0 90 -2,-0.3 3,-0.8 1,-0.2 4,-0.7 -0.624 22.4-170.0 -74.5 103.4 115.2 3.9 21.2 6 7 A K T 34 S+ 0 0 70 -2,-1.0 3,-0.2 1,-0.2 -1,-0.2 0.749 82.3 61.4 -60.0 -31.5 113.6 4.6 17.8 7 8 A S T 34 S+ 0 0 89 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.687 112.5 35.0 -78.7 -13.8 111.0 2.0 18.6 8 9 A K T <4 S+ 0 0 161 -3,-0.8 2,-0.2 2,-0.0 -1,-0.2 0.460 114.6 46.7-116.9 -1.0 109.7 3.9 21.6 9 10 A N S < S- 0 0 89 -4,-0.7 2,-0.5 -3,-0.2 -5,-0.0 -0.827 76.8-111.1-136.2 168.3 110.0 7.7 20.7 10 11 A V - 0 0 141 -2,-0.2 2,-0.1 -3,-0.0 -3,-0.1 -0.927 34.1-131.9-108.6 122.9 109.2 10.1 17.7 11 12 A A - 0 0 29 -2,-0.5 3,-0.1 -5,-0.1 6,-0.0 -0.401 1.9-146.5 -69.0 146.5 112.3 11.4 15.9 12 13 A Q S S+ 0 0 182 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.743 85.1 13.3 -87.1 -21.7 112.4 15.2 15.2 13 14 A S S > S- 0 0 47 1,-0.1 3,-1.9 -3,-0.0 -1,-0.2 -0.996 76.9-115.0-151.1 156.2 114.4 14.6 12.0 14 15 A I G > S+ 0 0 74 -2,-0.3 3,-2.1 1,-0.3 4,-0.3 0.809 108.4 71.2 -65.7 -20.4 115.2 11.6 9.7 15 16 A D G > S+ 0 0 22 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.797 86.0 66.8 -71.6 -18.1 118.8 11.9 10.5 16 17 A Q G < S+ 0 0 61 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.672 92.6 62.8 -68.0 -11.3 118.1 10.6 14.0 17 18 A L G < S+ 0 0 63 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.463 80.1 106.8 -88.3 -7.2 117.1 7.3 12.4 18 19 A I S < S- 0 0 23 -3,-1.3 31,-0.1 -4,-0.3 26,-0.0 -0.503 79.5 -0.4 -73.8 144.1 120.7 6.7 11.0 19 20 A G S S+ 0 0 3 -2,-0.1 145,-0.0 22,-0.1 146,-0.0 -0.304 80.8 100.1 71.2-163.9 122.8 4.1 12.8 20 21 A Q + 0 0 60 1,-0.2 -14,-0.1 24,-0.0 -1,-0.1 0.914 64.5 171.6 40.3 56.4 121.6 1.9 15.7 21 22 A T - 0 0 3 1,-0.1 -1,-0.2 144,-0.0 20,-0.1 -0.498 32.4 -96.1 -90.6 162.0 121.0 -0.7 13.1 22 23 A P - 0 0 66 0, 0.0 18,-2.8 0, 0.0 2,-0.3 -0.186 26.0-143.4 -68.6 166.4 120.1 -4.3 13.8 23 24 A A E -A 39 0A 38 16,-0.2 2,-0.4 17,-0.1 16,-0.2 -0.984 17.5-170.5-129.1 150.1 122.4 -7.3 14.0 24 25 A L E -A 38 0A 69 14,-2.2 14,-3.0 -2,-0.3 2,-0.3 -0.998 21.9-122.6-148.1 130.8 121.4 -10.8 12.7 25 26 A Y E -A 37 0A 147 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.566 28.3-122.7 -73.8 138.3 122.9 -14.3 13.0 26 27 A L + 0 0 7 10,-2.6 10,-0.4 -2,-0.3 -1,-0.1 -0.613 45.3 164.5 -75.7 129.9 123.7 -16.0 9.7 27 28 A N > + 0 0 125 -2,-0.3 3,-1.7 8,-0.1 -1,-0.2 0.589 57.5 26.9-124.1 -83.5 121.7 -19.2 9.9 28 29 A K T 3 S+ 0 0 153 237,-0.3 238,-0.1 1,-0.3 -2,-0.1 0.867 124.0 48.7 -59.9 -37.3 120.9 -21.4 7.0 29 30 A L T 3 S+ 0 0 33 1,-0.2 2,-1.1 233,-0.1 -1,-0.3 0.619 94.4 86.8 -74.1 -16.7 124.0 -20.3 5.0 30 31 A N < + 0 0 28 -3,-1.7 -1,-0.2 1,-0.1 6,-0.1 -0.742 42.3 159.1 -89.1 97.4 126.2 -20.9 8.1 31 32 A N + 0 0 133 -2,-1.1 2,-0.2 2,-0.0 -1,-0.1 -0.082 47.7 95.6-100.2 29.7 127.2 -24.6 8.0 32 33 A T S S- 0 0 30 2,-0.3 254,-0.1 1,-0.0 253,-0.1 -0.540 84.4-111.6-113.7 177.8 130.3 -24.0 10.3 33 34 A K S S+ 0 0 142 252,-0.4 259,-2.8 -2,-0.2 2,-0.3 0.302 91.2 84.6 -91.5 11.7 131.1 -24.3 14.0 34 35 A A S S- 0 0 2 257,-0.2 -2,-0.3 258,-0.2 2,-0.3 -0.817 80.2-118.0-111.8 152.9 131.5 -20.6 14.4 35 36 A K E - b 0 294A 123 258,-3.0 260,-2.5 -2,-0.3 2,-0.4 -0.649 25.7-160.2 -83.1 138.3 128.8 -17.9 15.0 36 37 A V E - b 0 295A 0 -10,-0.4 -10,-2.6 -2,-0.3 2,-0.4 -0.993 4.3-165.2-122.5 123.4 128.5 -15.2 12.2 37 38 A V E -Ab 25 296A 12 258,-3.1 260,-2.8 -2,-0.4 2,-0.6 -0.890 7.0-150.7-112.0 131.4 126.9 -12.0 13.1 38 39 A L E -Ab 24 297A 0 -14,-3.0 -14,-2.2 -2,-0.4 2,-0.7 -0.922 7.5-145.8-106.7 119.3 125.8 -9.5 10.3 39 40 A K E -Ab 23 298A 0 258,-2.6 260,-3.1 -2,-0.6 2,-1.8 -0.789 22.8-139.5 -80.5 115.3 125.7 -5.8 11.2 40 41 A M E > + b 0 299A 20 -18,-2.8 3,-2.2 -2,-0.7 4,-0.1 -0.435 42.8 154.5 -87.8 67.1 122.7 -4.7 9.1 41 42 A E G > + 0 0 0 -2,-1.8 3,-1.5 258,-0.6 -1,-0.2 0.682 65.5 77.3 -68.0 -14.5 123.8 -1.3 7.6 42 43 A C G 3 S+ 0 0 5 257,-1.0 -1,-0.3 259,-0.3 260,-0.3 0.635 83.5 69.8 -63.4 -18.9 121.4 -1.9 4.8 43 44 A E G < S+ 0 0 101 -3,-2.2 -1,-0.2 -21,-0.1 -2,-0.2 0.458 71.0 116.7 -82.6 4.3 118.7 -0.9 7.4 44 45 A N S X S- 0 0 7 -3,-1.5 3,-2.2 1,-0.1 -26,-0.1 -0.141 85.1 -99.5 -61.8 160.8 119.8 2.7 7.5 45 46 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 0.838 125.4 35.4 -61.0 -35.7 117.2 5.2 6.3 46 47 A M T 3 S- 0 0 28 2,-0.3 4,-0.1 35,-0.0 -2,-0.1 0.093 122.1-106.2-106.4 27.2 118.7 5.6 2.8 47 48 A A S < S+ 0 0 20 -3,-2.2 255,-2.3 1,-0.1 2,-0.3 0.648 83.8 74.5 72.1 26.8 119.7 1.9 2.8 48 49 A S B > S-F 301 0B 0 253,-0.2 3,-1.9 1,-0.1 -2,-0.3 -0.988 83.7-108.4-162.0 167.5 123.4 2.0 3.3 49 50 A V T >> S+ 0 0 2 251,-2.3 3,-2.0 -2,-0.3 4,-0.8 0.722 105.7 78.8 -61.9 -22.5 126.3 2.4 5.7 50 51 A X H 3> S+ 0 0 17 1,-0.3 4,-3.2 250,-0.2 -1,-0.3 0.713 74.7 77.3 -68.5 -15.5 127.1 5.8 3.9 51 52 A D H <> S+ 0 0 0 -3,-1.9 4,-2.2 1,-0.2 -1,-0.3 0.893 92.9 51.4 -56.2 -32.0 124.3 7.4 5.9 52 53 A R H <> S+ 0 0 2 -3,-2.0 4,-2.3 -4,-0.2 -1,-0.2 0.915 111.8 44.8 -73.4 -41.0 126.6 7.4 8.9 53 54 A L H X S+ 0 0 2 -4,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.946 112.1 52.4 -66.7 -46.7 129.4 9.1 6.9 54 55 A G H X S+ 0 0 3 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.931 112.9 44.6 -49.6 -54.5 127.0 11.7 5.4 55 56 A F H X S+ 0 0 33 -4,-2.2 4,-3.3 -5,-0.2 5,-0.4 0.924 111.0 53.2 -57.2 -45.1 125.6 12.6 8.8 56 57 A A H X>S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.5 0.907 109.3 50.1 -58.1 -45.2 129.1 12.8 10.3 57 58 A I H X5S+ 0 0 9 -4,-2.6 4,-2.0 3,-0.2 5,-0.4 0.971 117.9 37.1 -61.0 -55.2 130.2 15.2 7.6 58 59 A Y H X5S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 5,-0.2 0.929 122.0 44.3 -61.7 -49.6 127.3 17.6 7.9 59 60 A D H X5S+ 0 0 25 -4,-3.3 4,-2.4 -5,-0.2 -3,-0.2 0.962 120.8 35.8 -60.7 -60.9 127.0 17.4 11.7 60 61 A K H X5S+ 0 0 26 -4,-2.4 4,-1.8 -5,-0.4 6,-0.2 0.901 117.7 50.8 -67.2 -39.4 130.7 17.6 12.6 61 62 A A H <5S+ 0 0 53 -4,-1.9 3,-1.6 -5,-0.4 -1,-0.2 0.932 110.8 51.2 -67.3 -46.9 128.8 22.4 10.9 63 64 A K H 3<5S+ 0 0 159 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 110.9 48.4 -58.7 -31.2 129.7 22.1 14.6 64 65 A E T 3<5S- 0 0 88 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.397 118.3-111.6 -88.1 1.6 133.3 23.1 13.8 65 66 A G T < 5S+ 0 0 53 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.572 87.3 115.0 80.0 12.0 132.1 26.1 11.6 66 67 A K S > - 0 0 85 -2,-0.4 4,-2.6 -3,-0.1 3,-2.3 -0.982 29.6-120.0-131.8 115.2 127.2 26.9 6.7 69 70 A P T 34 S+ 0 0 59 0, 0.0 26,-0.2 0, 0.0 25,-0.1 -0.240 98.3 17.6 -59.0 144.1 123.8 26.0 5.4 70 71 A G T 34 S+ 0 0 75 24,-1.9 25,-0.1 2,-0.3 3,-0.1 0.393 129.2 53.3 79.6 -5.6 122.7 28.1 2.4 71 72 A K T <4 S+ 0 0 118 -3,-2.3 -1,-0.1 1,-0.1 2,-0.1 0.633 91.3 70.4-121.3 -54.9 126.3 29.2 1.8 72 73 A S < - 0 0 12 -4,-2.6 24,-0.8 74,-0.1 2,-0.5 -0.343 65.3-150.3 -68.5 144.4 128.5 26.1 1.6 73 74 A I E -gh 96 146C 23 72,-2.7 74,-2.9 22,-0.1 2,-0.5 -0.982 10.0-144.0-116.3 120.4 128.2 23.9 -1.4 74 75 A V E -gh 97 147C 2 22,-2.1 24,-3.3 -2,-0.5 2,-0.4 -0.700 21.9-174.5 -85.4 125.9 129.0 20.2 -0.8 75 76 A V E +gh 98 148C 0 72,-2.7 74,-2.8 -2,-0.5 75,-0.3 -0.962 9.9 159.4-124.7 138.1 130.8 18.6 -3.7 76 77 A E E -g 99 0C 7 22,-2.3 24,-1.9 -2,-0.4 2,-0.6 -0.977 37.0-131.2-153.9 147.1 131.8 14.9 -4.3 77 78 A S E +g 100 0C 16 -2,-0.3 2,-0.3 22,-0.2 24,-0.2 -0.893 50.0 144.3 -92.0 122.6 132.6 12.5 -7.0 78 79 A S - 0 0 13 22,-1.7 -2,-0.1 -2,-0.6 21,-0.0 -0.839 38.7-179.1-163.5 125.1 130.5 9.4 -6.4 79 80 A S S S+ 0 0 22 -2,-0.3 2,-0.1 22,-0.0 22,-0.1 0.129 81.1 40.9-101.6 16.0 128.8 6.8 -8.6 80 81 A G S > S- 0 0 15 149,-0.0 4,-1.1 29,-0.0 3,-0.5 -0.359 110.7 -38.6-139.9-146.3 127.6 5.1 -5.4 81 82 A N H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.791 115.8 63.3 -68.0 -31.5 126.2 5.4 -2.0 82 83 A T H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.929 103.4 50.9 -57.2 -42.3 128.2 8.3 -0.7 83 84 A G H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.876 109.6 51.6 -57.2 -42.1 126.6 10.6 -3.3 84 85 A V H X S+ 0 0 6 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.963 111.8 44.1 -64.3 -49.8 123.1 9.3 -2.3 85 86 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.4 0.915 115.3 49.1 -65.1 -42.6 123.6 10.0 1.4 86 87 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.894 113.2 46.8 -58.3 -45.5 125.2 13.4 0.7 87 88 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.933 114.0 50.0 -63.2 -41.7 122.3 14.4 -1.6 88 89 A H H X S+ 0 0 13 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.959 118.1 35.3 -61.4 -54.0 119.7 13.1 0.9 89 90 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.834 112.4 59.7 -76.9 -33.6 121.0 14.9 4.0 90 91 A G H X>S+ 0 0 0 -4,-1.9 5,-2.5 -5,-0.4 4,-1.0 0.949 102.9 54.7 -58.3 -39.3 122.1 18.0 2.1 91 92 A A H ><5S+ 0 0 52 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.918 111.6 41.5 -61.5 -48.7 118.5 18.6 0.9 92 93 A I H 3<5S+ 0 0 83 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.794 115.4 51.7 -77.2 -21.4 117.0 18.5 4.4 93 94 A R H 3<5S- 0 0 54 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.478 114.8-109.8 -95.8 -0.8 119.8 20.6 5.8 94 95 A G T <<5 + 0 0 43 -4,-1.0 -24,-1.9 -3,-0.8 2,-0.4 0.807 69.2 137.4 82.6 31.1 119.6 23.4 3.3 95 96 A Y < - 0 0 11 -5,-2.5 2,-0.4 -26,-0.2 -1,-0.3 -0.908 55.1-126.7-106.1 139.4 122.9 22.7 1.4 96 97 A K E -g 73 0C 114 -24,-0.8 -22,-2.1 -2,-0.4 2,-0.4 -0.669 32.8-158.7 -70.0 131.8 123.4 22.8 -2.3 97 98 A V E -g 74 0C 5 -2,-0.4 22,-3.3 20,-0.3 2,-0.5 -0.965 11.4-168.0-118.7 131.7 125.0 19.5 -3.3 98 99 A I E -gi 75 119C 14 -24,-3.3 -22,-2.3 -2,-0.4 2,-0.5 -0.960 4.4-174.6-119.1 124.5 127.0 18.8 -6.4 99 100 A I E -gi 76 120C 0 20,-2.6 22,-2.6 -2,-0.5 2,-0.3 -0.947 8.9-156.1-113.3 130.9 127.8 15.2 -7.4 100 101 A T E +gi 77 121C 0 -24,-1.9 -22,-1.7 -2,-0.5 22,-0.2 -0.798 24.0 153.3-103.8 143.1 130.0 14.4 -10.4 101 102 A M E - i 0 122C 2 20,-2.1 22,-1.7 -2,-0.3 28,-0.1 -0.960 47.9 -80.1-160.9 154.4 129.9 11.1 -12.3 102 103 A P E > - i 0 123C 2 0, 0.0 3,-1.5 0, 0.0 23,-0.1 -0.226 37.0-120.4 -61.2 149.4 130.6 9.8 -15.8 103 104 A E T 3 S+ 0 0 121 20,-3.0 19,-0.1 1,-0.3 23,-0.0 0.695 108.7 66.3 -56.6 -25.3 128.0 10.3 -18.5 104 105 A S T 3 S+ 0 0 77 19,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.431 73.4 118.9 -82.6 -4.5 127.7 6.5 -18.9 105 106 A M S < S- 0 0 41 -3,-1.5 5,-0.0 1,-0.1 -4,-0.0 -0.327 74.5 -88.6 -63.2 150.8 126.2 5.8 -15.5 106 107 A S > - 0 0 42 1,-0.1 4,-1.8 4,-0.1 3,-0.2 -0.002 29.5-115.2 -61.1 157.9 122.8 4.2 -15.3 107 108 A L H > S+ 0 0 116 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.891 116.1 57.9 -61.4 -36.7 119.6 6.3 -15.3 108 109 A E H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.865 103.2 50.9 -61.6 -41.8 118.9 5.0 -11.7 109 110 A R H > S+ 0 0 22 -3,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.934 118.4 39.1 -65.1 -41.7 122.2 6.4 -10.3 110 111 A R H X S+ 0 0 68 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.921 116.2 49.8 -73.9 -45.2 121.5 9.8 -11.8 111 112 A C H X S+ 0 0 63 -4,-3.4 4,-2.2 -5,-0.2 -3,-0.2 0.908 104.1 58.6 -65.4 -39.6 117.8 9.9 -11.1 112 113 A L H X S+ 0 0 42 -4,-2.3 4,-0.8 -5,-0.3 -1,-0.2 0.908 108.9 45.2 -57.6 -38.4 118.1 8.9 -7.4 113 114 A L H ><>S+ 0 0 2 -4,-1.0 5,-1.9 -3,-0.2 3,-0.6 0.882 109.7 54.2 -72.9 -37.3 120.3 11.9 -6.7 114 115 A R H ><5S+ 0 0 157 -4,-1.7 3,-1.8 1,-0.2 -1,-0.2 0.827 95.1 68.4 -72.0 -27.7 118.1 14.3 -8.6 115 116 A I H 3<5S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.899 103.0 45.7 -50.2 -39.9 115.1 13.2 -6.5 116 117 A F T <<5S- 0 0 51 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.313 123.2-109.4 -90.1 9.6 116.8 14.9 -3.6 117 118 A G T < 5 + 0 0 48 -3,-1.8 -20,-0.3 1,-0.2 -3,-0.2 0.634 63.7 155.4 78.0 19.9 117.5 18.0 -5.8 118 119 A A < - 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