==== 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 ISOMERASE 02-NOV-07 3B8W . COMPND 2 MOLECULE: ALANINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.WU,T.HU,L.ZHANG,H.JIANG,X.SHEN . 1418 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 929 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 10.6 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 . 11 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 82 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.1 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 2 15 3 2 8 0 2 2 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 8 20 0 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 PARALLEL BRIDGES PER LADDER . 9 7 0 15 0 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 5 0 3 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 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 71 0, 0.0 2,-0.4 0, 0.0 442,-0.1 0.000 360.0 360.0 360.0 166.5 61.0 16.1 -27.1 2 2 A Q + 0 0 85 317,-0.2 269,-0.2 440,-0.1 2,-0.1 -0.879 360.0 173.5-110.1 142.6 59.7 15.1 -23.7 3 3 A A - 0 0 9 -2,-0.4 235,-0.1 1,-0.3 269,-0.1 -0.189 55.1 -3.4-120.5-149.4 57.3 12.2 -23.3 4 4 A A S S+ 0 0 4 267,-0.3 350,-2.5 -2,-0.1 2,-0.3 -0.228 76.6 161.5 -50.2 115.3 55.8 10.4 -20.3 5 5 A T E -Ab 238 354A 1 233,-2.7 233,-3.4 348,-0.2 2,-0.5 -1.000 35.3-150.1-144.8 141.3 57.4 12.0 -17.2 6 6 A V E -Ab 237 355A 0 348,-2.8 350,-3.0 -2,-0.3 2,-0.6 -0.957 17.3-157.2-109.7 120.9 56.7 12.3 -13.5 7 7 A V E -Ab 236 356A 34 229,-2.4 229,-1.1 -2,-0.5 2,-0.6 -0.908 6.9-156.6-102.1 123.2 58.0 15.5 -12.0 8 8 A I E -Ab 235 357A 0 348,-3.3 350,-2.7 -2,-0.6 2,-0.9 -0.891 7.1-146.7-106.1 120.1 58.6 15.3 -8.3 9 9 A N E > - b 0 358A 34 225,-2.5 4,-1.4 -2,-0.6 350,-0.2 -0.752 11.9-173.3 -85.9 105.3 58.5 18.5 -6.2 10 10 A R H > S+ 0 0 46 348,-2.5 4,-2.0 -2,-0.9 -1,-0.2 0.804 83.9 58.1 -67.6 -29.3 61.0 17.9 -3.4 11 11 A R H > S+ 0 0 115 347,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.881 105.4 47.7 -68.6 -40.1 60.0 21.2 -1.8 12 12 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 220,-0.4 0.820 108.7 56.7 -69.4 -32.7 56.3 20.1 -1.5 13 13 A L H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.940 109.3 44.6 -63.8 -51.5 57.5 16.8 -0.0 14 14 A R H X S+ 0 0 114 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.861 110.8 54.2 -54.9 -44.7 59.4 18.6 2.7 15 15 A H H X S+ 0 0 69 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.899 107.8 50.8 -59.7 -44.5 56.5 21.0 3.4 16 16 A N H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.847 107.0 51.5 -66.0 -37.3 54.2 18.0 3.9 17 17 A L H X S+ 0 0 5 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.923 115.9 43.0 -65.5 -43.4 56.4 16.2 6.4 18 18 A Q H X S+ 0 0 95 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.892 112.6 52.5 -68.7 -40.4 56.6 19.4 8.4 19 19 A R H X S+ 0 0 80 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.856 108.6 51.1 -64.0 -35.2 52.9 20.1 8.0 20 20 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.777 104.2 57.4 -73.5 -25.9 52.1 16.6 9.3 21 21 A R H < S+ 0 0 50 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.798 106.8 50.5 -72.1 -26.6 54.3 17.2 12.3 22 22 A E H < S+ 0 0 101 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.877 112.7 44.0 -78.3 -40.1 52.1 20.2 13.0 23 23 A L H < S+ 0 0 52 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.805 126.1 33.5 -69.8 -34.3 48.9 18.2 12.8 24 24 A A S >< S+ 0 0 0 -4,-2.3 3,-1.8 -5,-0.1 -1,-0.2 -0.427 76.0 162.8-118.9 65.5 50.4 15.4 14.8 25 25 A P T 3 S+ 0 0 41 0, 0.0 880,-0.2 0, 0.0 -1,-0.1 0.598 70.2 45.7 -59.7 -21.6 52.6 17.3 17.2 26 26 A A T 3 S+ 0 0 53 878,-0.2 2,-0.4 877,-0.1 -4,-0.1 0.194 100.8 81.8-108.3 18.1 53.2 14.6 19.8 27 27 A S S < S- 0 0 12 -3,-1.8 180,-0.3 -6,-0.2 179,-0.1 -0.947 72.3-126.1-126.9 142.3 54.0 11.8 17.5 28 28 A K E -f 207 0B 96 178,-3.0 180,-2.2 -2,-0.4 2,-0.5 -0.408 34.2-111.3 -78.2 164.3 57.1 10.6 15.6 29 29 A M E -f 208 0B 0 178,-0.2 25,-1.4 -2,-0.1 2,-0.7 -0.835 23.0-172.0-109.9 126.1 56.9 10.1 11.9 30 30 A V E -g 54 0C 3 178,-2.1 2,-0.6 -2,-0.5 25,-0.2 -0.888 22.0-151.2-108.7 95.7 57.1 6.9 9.9 31 31 A A E -g 55 0C 0 23,-2.4 25,-2.7 -2,-0.7 2,-0.6 -0.566 13.6-140.3 -68.4 113.8 57.3 8.1 6.3 32 32 A V E +g 56 0C 5 178,-2.5 25,-0.2 -2,-0.6 182,-0.1 -0.681 31.6 167.0 -87.5 118.5 55.8 5.2 4.3 33 33 A V >> + 0 0 0 23,-3.3 4,-1.1 -2,-0.6 3,-0.5 -0.274 20.7 140.7-128.4 40.5 57.7 4.7 1.1 34 34 A K H 3> + 0 0 26 1,-0.2 4,-1.9 2,-0.2 5,-0.1 -0.426 60.5 30.3 -89.1 158.9 56.4 1.4 -0.1 35 35 A A H 3> S- 0 0 5 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.764 143.5 -46.7 63.9 30.5 55.8 0.7 -3.8 36 36 A N H X>>S- 0 0 58 -3,-0.5 5,-3.2 2,-0.2 3,-0.6 0.937 108.7 -54.8 76.1 50.7 58.5 3.1 -5.0 37 37 A A H ><5S- 0 0 0 -4,-1.1 3,-1.2 3,-0.2 -2,-0.2 0.871 104.8 -54.6 39.0 50.4 57.4 5.8 -2.6 38 38 A Y H 3<5S- 0 0 11 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.827 109.1 -46.4 65.8 32.4 53.9 5.6 -4.0 39 39 A G H <<5S+ 0 0 6 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.405 127.9 94.5 85.1 2.2 55.1 6.2 -7.6 40 40 A H T <<5S- 0 0 0 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.578 101.0 -88.2 -97.0 -19.4 57.4 9.0 -6.6 41 41 A G >< - 0 0 4 -5,-3.2 4,-2.4 -6,-0.1 5,-0.2 0.546 25.5-127.1 107.4 126.5 60.5 6.9 -6.2 42 42 A L H > S+ 0 0 17 1,-0.2 4,-1.0 2,-0.2 -5,-0.1 0.839 101.9 34.1 -79.0 -47.4 61.7 5.1 -3.3 43 43 A L H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.1 -1,-0.2 0.869 118.8 50.1 -73.3 -41.4 65.2 6.3 -2.8 44 44 A E H > S+ 0 0 44 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.879 110.3 51.2 -64.2 -37.4 64.7 9.9 -4.0 45 45 A T H X S+ 0 0 0 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.868 111.6 47.9 -67.2 -35.2 61.7 10.3 -1.7 46 46 A A H >< S+ 0 0 2 -4,-1.0 3,-1.3 -5,-0.2 6,-0.2 0.933 110.1 51.4 -70.3 -44.2 63.8 9.0 1.2 47 47 A R H 3< S+ 0 0 117 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.682 105.4 57.3 -65.3 -18.9 66.7 11.3 0.4 48 48 A T H 3< S+ 0 0 3 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.637 108.1 48.7 -84.6 -17.2 64.3 14.3 0.3 49 49 A L X< + 0 0 2 -3,-1.3 3,-2.2 -4,-0.5 -1,-0.2 -0.427 54.6 150.1-123.2 59.2 63.2 13.6 3.9 50 50 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.564 74.2 68.1 -65.7 -2.5 66.4 13.1 6.0 51 51 A D T 3 S+ 0 0 91 -3,-0.1 2,-0.1 3,-0.0 -2,-0.1 0.582 72.1 113.9 -91.3 -13.4 64.2 14.5 8.8 52 52 A A < - 0 0 0 -3,-2.2 -22,-0.1 -6,-0.2 3,-0.1 -0.359 65.0-141.6 -63.2 136.7 61.9 11.5 8.9 53 53 A D S S- 0 0 36 -24,-0.5 2,-0.3 1,-0.2 -23,-0.2 0.822 80.0 -17.5 -66.8 -32.7 62.1 9.6 12.1 54 54 A A E -g 30 0C 6 -25,-1.4 -23,-2.4 19,-0.1 2,-0.4 -0.967 63.2-121.5-162.8 169.9 61.8 6.3 10.2 55 55 A F E -gh 31 75C 4 19,-2.0 21,-3.7 -2,-0.3 2,-0.4 -0.979 19.3-147.2-124.1 137.5 60.7 4.9 6.8 56 56 A G E +gh 32 76C 0 -25,-2.7 -23,-3.3 -2,-0.4 2,-0.3 -0.874 19.2 174.0-108.0 137.1 58.1 2.3 6.2 57 57 A V E - h 0 77C 0 19,-2.3 21,-2.3 -2,-0.4 22,-0.3 -0.911 32.2-136.3-134.4 160.9 58.2 -0.3 3.4 58 58 A A S S+ 0 0 0 -2,-0.3 21,-0.6 19,-0.2 2,-0.2 0.896 85.5 27.6 -82.7 -33.6 56.0 -3.4 2.5 59 59 A R S > S- 0 0 3 19,-0.1 4,-0.9 20,-0.1 3,-0.4 -0.723 75.0-117.7-136.8 159.8 58.8 -5.8 1.7 60 60 A L H > S+ 0 0 14 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.808 110.7 64.8 -69.9 -39.5 62.4 -6.5 2.7 61 61 A E H > S+ 0 0 60 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.829 101.5 50.1 -43.3 -44.1 63.6 -5.9 -0.8 62 62 A E H > S+ 0 0 6 -3,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.848 109.9 49.4 -71.4 -38.4 62.5 -2.3 -0.5 63 63 A A H X S+ 0 0 0 -4,-0.9 4,-2.1 2,-0.2 3,-0.4 0.914 111.2 49.1 -67.5 -44.5 64.3 -1.7 2.7 64 64 A L H X S+ 0 0 61 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.843 107.2 56.0 -63.4 -40.4 67.6 -3.3 1.4 65 65 A R H X S+ 0 0 133 -4,-1.5 4,-1.0 -5,-0.2 -1,-0.2 0.784 106.7 50.9 -59.5 -29.3 67.3 -1.1 -1.7 66 66 A L H <>S+ 0 0 0 -4,-1.0 5,-2.4 -3,-0.4 3,-0.4 0.928 109.8 48.3 -72.5 -49.4 67.2 1.9 0.7 67 67 A R H ><5S+ 0 0 42 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.833 108.7 55.7 -57.5 -35.1 70.3 0.8 2.5 68 68 A A H 3<5S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.840 105.7 51.3 -68.9 -32.7 72.0 0.3 -0.9 69 69 A G T 3<5S- 0 0 22 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.439 127.5 -97.1 -84.6 -0.9 71.3 3.9 -1.8 70 70 A G T < 5 + 0 0 54 -3,-0.9 2,-0.4 -4,-0.3 -3,-0.2 0.587 69.7 152.0 97.6 5.7 72.8 5.2 1.4 71 71 A I < + 0 0 15 -5,-2.4 -1,-0.3 1,-0.1 -2,-0.1 -0.617 15.2 176.4 -69.5 131.4 69.7 5.6 3.6 72 72 A T + 0 0 123 -2,-0.4 -1,-0.1 -3,-0.1 3,-0.1 0.650 39.5 104.0-119.4 -22.5 70.8 5.2 7.1 73 73 A K S S- 0 0 75 1,-0.2 -19,-0.1 -19,-0.0 -20,-0.1 -0.060 85.9 -76.9 -67.3 162.8 67.6 5.9 9.1 74 74 A P - 0 0 41 0, 0.0 -19,-2.0 0, 0.0 2,-0.5 -0.332 46.5-154.3 -70.7 141.1 65.5 3.1 10.8 75 75 A V E -hi 55 95C 0 19,-0.6 21,-2.7 -21,-0.2 2,-0.6 -0.978 4.2-144.7-119.7 129.3 63.3 1.3 8.2 76 76 A L E -hi 56 96C 11 -21,-3.7 -19,-2.3 -2,-0.5 2,-1.3 -0.837 5.0-145.9 -98.3 118.5 60.1 -0.5 9.4 77 77 A L E > -hi 57 97C 0 19,-3.1 21,-1.4 -2,-0.6 3,-1.2 -0.699 15.5-167.0 -81.7 97.4 59.1 -3.7 7.7 78 78 A L T 3 S+ 0 0 28 -21,-2.3 -1,-0.2 -2,-1.3 -20,-0.2 0.725 86.0 34.3 -58.9 -26.8 55.3 -3.2 7.8 79 79 A E T 3 S- 0 0 4 -21,-0.6 -1,-0.3 1,-0.4 21,-0.2 0.296 108.8-130.6-110.7 4.6 54.6 -6.8 6.9 80 80 A G < - 0 0 1 -3,-1.2 -1,-0.4 16,-0.1 2,-0.3 -0.354 44.5 -41.2 78.0-161.0 57.5 -8.3 8.7 81 81 A F - 0 0 5 17,-0.4 3,-0.1 1,-0.1 23,-0.1 -0.827 37.8-153.2-107.9 145.6 59.9 -10.8 7.1 82 82 A F S S+ 0 0 58 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.574 79.3 43.2 -94.8 -10.2 58.8 -13.7 4.9 83 83 A D > - 0 0 27 1,-0.1 3,-2.0 21,-0.0 4,-0.3 -0.997 67.7-140.6-140.1 135.0 61.7 -16.1 5.6 84 84 A A G > S+ 0 0 53 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.774 102.3 68.1 -60.3 -27.9 63.5 -17.0 8.8 85 85 A R G 3 S+ 0 0 188 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.504 89.5 67.9 -72.3 -1.0 66.8 -17.0 7.0 86 86 A D G X> S+ 0 0 45 -3,-2.0 4,-2.5 1,-0.2 3,-0.8 0.657 73.3 87.5 -90.0 -20.2 66.3 -13.2 6.7 87 87 A L H <> S+ 0 0 1 -3,-1.3 4,-2.6 -4,-0.3 5,-0.2 0.836 83.1 56.7 -50.3 -38.6 66.7 -12.4 10.4 88 88 A P H 3> S+ 0 0 73 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.901 111.0 43.2 -66.5 -32.3 70.5 -12.1 10.2 89 89 A T H <> S+ 0 0 58 -3,-0.8 4,-2.8 -4,-0.3 5,-0.2 0.927 112.4 52.3 -73.7 -48.7 70.2 -9.4 7.6 90 90 A I H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 4,-0.4 0.898 113.0 46.0 -50.5 -42.0 67.4 -7.6 9.3 91 91 A S H ><5S+ 0 0 7 -4,-2.6 3,-0.7 -5,-0.2 -2,-0.2 0.928 115.8 44.1 -70.4 -48.8 69.5 -7.6 12.5 92 92 A A H 3<5S+ 0 0 62 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.815 114.7 49.0 -66.1 -35.7 72.7 -6.4 10.8 93 93 A Q T 3<5S- 0 0 63 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.480 109.2-123.8 -83.4 -5.0 70.9 -3.8 8.7 94 94 A H T < 5 + 0 0 95 -3,-0.7 -19,-0.6 -4,-0.4 2,-0.4 0.930 50.7 165.2 59.3 48.0 69.1 -2.5 11.8 95 95 A F E < -i 75 0C 1 -5,-2.6 2,-0.3 -6,-0.2 23,-0.3 -0.783 31.1-138.5 -94.2 137.9 65.7 -3.0 10.2 96 96 A H E -i 76 0C 46 -21,-2.7 -19,-3.1 -2,-0.4 2,-0.3 -0.757 26.1-157.4 -95.3 144.1 62.7 -2.8 12.6 97 97 A T E -ij 77 119C 0 21,-2.4 23,-2.9 -2,-0.3 2,-0.2 -0.907 19.8-133.6-132.0 156.2 60.1 -5.4 12.0 98 98 A A E - j 0 120C 2 -21,-1.4 2,-0.4 -2,-0.3 -17,-0.4 -0.641 21.7-153.6 -91.8 156.0 56.4 -6.2 12.5 99 99 A V E + j 0 121C 0 21,-1.5 23,-1.7 -2,-0.2 33,-0.2 -0.949 30.4 151.2-136.4 113.1 55.6 -9.7 13.8 100 100 A H + 0 0 9 -2,-0.4 2,-0.2 -21,-0.2 -1,-0.1 0.578 56.6 46.3-119.7 -10.4 52.2 -11.2 12.9 101 101 A N S > S- 0 0 22 31,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.740 75.9-113.5-134.0 176.6 52.7 -14.9 12.8 102 102 A E H > S+ 0 0 92 -2,-0.2 4,-3.3 2,-0.2 5,-0.3 0.782 112.4 61.0 -86.5 -30.8 54.2 -17.9 14.6 103 103 A E H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.969 109.8 42.2 -49.7 -57.5 56.6 -18.5 11.9 104 104 A Q H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.920 118.8 44.8 -60.6 -45.9 58.1 -15.1 12.5 105 105 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.916 113.0 49.1 -64.1 -51.4 57.9 -15.5 16.3 106 106 A A H X S+ 0 0 18 -4,-3.3 4,-1.2 1,-0.2 -1,-0.2 0.832 110.3 54.2 -61.9 -32.2 59.3 -19.0 16.4 107 107 A A H X S+ 0 0 10 -4,-2.0 4,-1.3 -5,-0.3 3,-0.4 0.936 106.7 47.9 -62.4 -51.9 62.1 -17.9 14.2 108 108 A L H < S+ 0 0 1 -4,-2.0 41,-0.3 1,-0.2 -2,-0.2 0.791 108.8 59.4 -55.4 -33.1 63.1 -15.0 16.5 109 109 A E H < S+ 0 0 77 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.838 117.6 26.3 -66.2 -37.6 63.0 -17.5 19.3 110 110 A E H < S+ 0 0 150 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.423 94.7 110.2-110.9 5.3 65.5 -19.9 17.9 111 111 A A < - 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