==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 12-APR-10 3MJF . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINE--GLYCINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR J.OSIPIUK,M.ZHOU,L.PAPAZISI,W.F.ANDERSON,A.JOACHIMIAK . 429 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 19.1 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 35 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 2 0 2 1 1 5 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 0 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 . 5 3 2 3 3 0 1 0 0 1 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 1 1 1 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 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 0 A A 0 0 102 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 155.7 -2.6 19.7 12.4 2 1 A X E -a 26 0A 47 23,-2.9 25,-2.6 25,-0.1 2,-0.3 -0.848 360.0-120.2-108.5 144.6 0.2 19.0 9.8 3 2 A N E - b 0 66A 14 62,-0.8 64,-1.6 -2,-0.3 65,-1.4 -0.639 32.6-150.2 -80.6 142.5 0.4 16.2 7.4 4 3 A I E -ab 29 68A 0 24,-2.7 26,-2.9 -2,-0.3 2,-0.5 -0.923 10.1-158.2-120.5 139.3 3.5 14.0 7.9 5 4 A L E -ab 30 69A 0 63,-2.2 65,-2.7 -2,-0.4 2,-0.5 -0.986 3.0-166.8-117.8 125.7 5.6 12.0 5.4 6 5 A I E -ab 31 70A 0 24,-2.8 26,-2.5 -2,-0.5 2,-0.5 -0.948 14.9-147.8-104.6 125.3 7.8 9.1 6.6 7 6 A I E +ab 32 71A 0 63,-2.1 65,-1.8 -2,-0.5 2,-0.2 -0.849 54.5 37.5 -99.7 125.3 10.3 8.0 3.9 8 7 A G E -a 33 0A 0 24,-2.7 26,-2.2 -2,-0.5 -2,-0.1 -0.789 65.3-116.2 133.1-171.0 11.3 4.3 3.9 9 8 A N + 0 0 76 -2,-0.2 361,-0.3 24,-0.2 2,-0.1 0.231 67.1 102.8-153.5 15.2 9.9 0.8 4.4 10 9 A G S > S- 0 0 13 359,-0.1 4,-2.0 25,-0.1 5,-0.1 -0.297 84.4 -91.8 -93.7-175.5 11.7 -0.9 7.3 11 10 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 124.3 58.2 -69.6 -33.7 10.8 -1.6 10.9 12 11 A R H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.904 107.9 48.7 -56.7 -40.5 12.2 1.7 12.0 13 12 A E H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.877 108.1 51.8 -74.4 -36.2 9.8 3.5 9.6 14 13 A H H X S+ 0 0 2 -4,-2.0 4,-3.0 353,-0.4 5,-0.2 0.958 113.7 46.3 -58.9 -48.1 6.8 1.5 10.8 15 14 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.896 112.2 48.8 -61.7 -44.9 7.8 2.5 14.4 16 15 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.916 114.9 45.5 -59.9 -46.4 8.3 6.2 13.5 17 16 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.942 111.5 52.0 -64.0 -44.4 5.0 6.4 11.6 18 17 A W H < S+ 0 0 24 -4,-3.0 4,-0.4 -5,-0.2 -2,-0.2 0.898 114.1 43.7 -58.2 -43.8 3.1 4.6 14.4 19 18 A K H >< S+ 0 0 12 -4,-2.2 3,-1.6 -5,-0.2 4,-0.3 0.928 110.6 53.7 -69.0 -44.1 4.5 7.0 17.0 20 19 A A H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.851 99.7 64.1 -56.5 -37.9 3.9 10.1 14.8 21 20 A A T 3< S+ 0 0 28 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.682 93.5 62.5 -62.8 -18.0 0.3 9.0 14.4 22 21 A Q T < S+ 0 0 98 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.622 81.8 104.2 -80.9 -12.6 -0.2 9.5 18.2 23 22 A S X - 0 0 8 -3,-1.9 3,-1.6 -4,-0.3 284,-0.0 -0.510 65.1-148.0 -76.8 132.7 0.6 13.2 17.9 24 23 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.648 100.6 66.4 -66.3 -13.0 -2.2 15.7 18.2 25 24 A L T 3 S+ 0 0 70 -24,-0.1 -23,-2.9 -5,-0.1 2,-0.4 0.470 89.2 83.3 -81.5 -6.3 -0.0 17.8 15.8 26 25 A A E < +a 2 0A 18 -3,-1.6 -23,-0.2 -25,-0.2 3,-0.1 -0.841 44.6 171.3-107.3 136.6 -0.5 15.3 13.0 27 26 A D E S+ 0 0 98 -25,-2.6 2,-0.3 1,-0.5 -24,-0.2 0.660 72.5 7.1 -97.5 -94.5 -3.4 15.0 10.6 28 27 A K E - 0 0 111 -27,-0.1 -24,-2.7 16,-0.0 -1,-0.5 -0.720 67.9-157.5 -90.9 145.1 -2.6 12.5 7.8 29 28 A I E -a 4 0A 4 14,-0.5 16,-2.4 -2,-0.3 2,-0.3 -0.987 10.2-170.7-126.5 118.7 0.5 10.3 8.0 30 29 A Y E -ac 5 45A 7 -26,-2.9 -24,-2.8 -2,-0.5 2,-0.4 -0.808 10.9-158.1-108.2 149.6 2.0 8.8 4.9 31 30 A V E -ac 6 46A 0 14,-2.1 16,-2.4 -2,-0.3 -24,-0.2 -0.996 21.8-129.3-129.7 123.3 4.8 6.3 4.5 32 31 A A E S-a 7 0A 0 -26,-2.5 -24,-2.7 -2,-0.4 16,-0.1 -0.935 90.0 -19.3-119.7 109.0 6.6 6.1 1.1 33 32 A P E S+a 8 0A 37 0, 0.0 -1,-0.2 0, 0.0 -24,-0.2 -0.999 94.5 175.9 -90.7 -10.9 6.7 3.3 0.2 34 33 A G - 0 0 11 -26,-2.2 2,-0.2 12,-0.1 -2,-0.0 -0.150 24.2-113.6 72.9-171.3 5.9 1.6 3.5 35 34 A N > - 0 0 10 -25,-0.1 4,-2.1 336,-0.1 336,-0.2 -0.737 42.0 -70.5-146.8-168.3 5.4 -2.1 4.0 36 35 A A H > S+ 0 0 0 334,-1.1 4,-2.6 332,-0.2 5,-0.2 0.851 127.4 56.0 -66.2 -30.0 2.6 -4.5 5.0 37 36 A G H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.904 109.6 43.3 -69.0 -42.6 2.6 -3.3 8.6 38 37 A T H 4 S+ 0 0 0 2,-0.2 6,-0.3 1,-0.2 -1,-0.2 0.842 112.4 54.8 -72.7 -31.6 2.1 0.4 7.7 39 38 A A H < S+ 0 0 42 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.958 112.2 43.6 -59.2 -48.4 -0.6 -0.8 5.1 40 39 A L H < S+ 0 0 70 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.807 91.5 97.1 -68.1 -31.4 -2.4 -2.6 7.9 41 40 A E >< - 0 0 19 -4,-1.7 3,-1.4 -5,-0.2 -3,-0.0 -0.390 69.8-148.2 -61.4 121.5 -2.0 0.3 10.4 42 41 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.796 93.5 52.4 -67.9 -21.5 -5.2 2.2 10.3 43 42 A T T 3 S+ 0 0 79 -15,-0.1 -14,-0.5 2,-0.0 2,-0.4 0.417 101.2 71.4 -91.0 -5.0 -3.6 5.5 11.0 44 43 A L < - 0 0 11 -3,-1.4 2,-0.5 -6,-0.3 -14,-0.2 -0.924 62.2-155.3-118.4 142.3 -0.9 5.3 8.2 45 44 A E E -c 30 0A 108 -16,-2.4 -14,-2.1 -2,-0.4 2,-0.2 -0.964 14.8-138.7-119.2 118.5 -1.3 5.5 4.5 46 45 A N E -c 31 0A 52 -2,-0.5 2,-0.4 -16,-0.2 -14,-0.2 -0.512 12.7-156.2 -72.7 144.8 1.2 3.9 2.2 47 46 A V - 0 0 15 -16,-2.4 2,-2.2 -2,-0.2 13,-0.0 -0.991 18.8-129.2-123.5 123.5 2.3 5.9 -0.9 48 47 A D + 0 0 161 -2,-0.4 2,-0.4 -16,-0.1 -16,-0.1 -0.434 67.5 116.0 -79.7 70.0 3.6 4.0 -3.9 49 48 A I - 0 0 27 -2,-2.2 -2,-0.2 8,-0.0 2,-0.1 -0.996 67.4-115.2-136.4 130.9 6.8 6.0 -4.4 50 49 A A > - 0 0 51 -2,-0.4 3,-1.8 1,-0.1 7,-0.2 -0.362 21.6-122.3 -66.3 148.4 10.3 4.6 -4.0 51 50 A A T 3 S+ 0 0 11 1,-0.3 -1,-0.1 -2,-0.1 -19,-0.0 0.717 113.6 48.5 -65.3 -22.0 12.4 5.9 -1.2 52 51 A T T 3 S+ 0 0 74 1,-0.1 2,-1.2 24,-0.0 -1,-0.3 0.281 82.4 100.0-102.7 13.4 15.1 6.9 -3.7 53 52 A D <> + 0 0 74 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 -0.678 46.9 174.3 -94.7 84.9 12.7 8.7 -6.2 54 53 A I H > S+ 0 0 30 -2,-1.2 4,-2.9 1,-0.2 5,-0.2 0.889 74.7 50.9 -65.0 -41.4 13.4 12.2 -5.1 55 54 A A H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.914 113.1 46.8 -63.1 -41.0 11.3 13.9 -7.8 56 55 A G H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.915 113.4 48.5 -64.7 -40.0 8.3 11.6 -7.0 57 56 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.899 112.9 46.8 -66.1 -46.9 8.7 12.3 -3.3 58 57 A L H X S+ 0 0 35 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.923 111.1 51.8 -63.7 -42.7 9.0 16.1 -3.7 59 58 A A H X S+ 0 0 52 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.892 111.6 48.7 -58.2 -41.7 6.0 16.1 -6.1 60 59 A F H >X S+ 0 0 15 -4,-2.0 4,-1.8 2,-0.2 3,-0.7 0.951 111.4 48.1 -62.2 -49.2 4.0 14.2 -3.4 61 60 A A H 3<>S+ 0 0 2 -4,-2.6 5,-1.8 1,-0.3 -2,-0.2 0.864 113.1 48.7 -63.0 -38.4 5.1 16.5 -0.6 62 61 A Q H 3<5S+ 0 0 123 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.680 117.5 41.1 -73.4 -17.6 4.2 19.6 -2.7 63 62 A S H <<5S+ 0 0 82 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.573 114.4 48.0-107.8 -13.4 0.8 18.2 -3.6 64 63 A H T <5S- 0 0 70 -4,-1.8 -2,-0.1 -5,-0.1 -3,-0.1 0.074 106.4-113.8-119.3 23.5 -0.3 16.7 -0.3 65 64 A D T 5 - 0 0 129 1,-0.2 -62,-0.8 -4,-0.2 2,-0.8 0.906 42.6-171.3 50.1 52.3 0.5 19.6 2.0 66 65 A I E < -b 3 0A 8 -5,-1.8 25,-0.3 -6,-0.2 -1,-0.2 -0.679 14.4-178.2 -81.6 111.9 3.2 17.9 3.9 67 66 A G E S+ 0 0 26 -64,-1.6 2,-0.3 -2,-0.8 24,-0.3 0.710 70.4 19.9 -83.4 -20.9 4.3 20.0 6.8 68 67 A L E -b 4 0A 0 -65,-1.4 -63,-2.2 22,-0.1 2,-0.4 -0.951 60.7-165.9-153.1 132.4 7.0 17.7 8.0 69 68 A T E -bd 5 92A 0 22,-2.0 24,-2.8 -2,-0.3 2,-0.4 -0.918 7.0-163.6-114.0 135.8 9.0 14.8 6.4 70 69 A I E -bd 6 93A 0 -65,-2.7 -63,-2.1 -2,-0.4 2,-0.5 -0.993 8.8-150.3-122.8 127.1 11.1 12.4 8.5 71 70 A V E +b 7 0A 5 22,-2.0 199,-0.3 -2,-0.4 -63,-0.1 -0.835 17.4 174.8-105.5 124.1 13.7 10.3 6.8 72 71 A G + 0 0 1 -65,-1.8 -1,-0.2 -2,-0.5 -64,-0.1 0.953 52.5 51.1 -88.8 -57.0 14.6 6.9 8.1 73 72 A P S > S- 0 0 25 0, 0.0 4,-0.8 0, 0.0 -66,-0.0 -0.313 73.4-117.5 -94.4 169.5 17.1 5.0 5.9 74 73 A E H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.837 96.3 70.7 -65.2 -45.4 20.4 5.7 4.3 75 74 A A H > S+ 0 0 50 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.891 101.1 42.1 -52.3 -48.5 19.6 5.5 0.6 76 75 A P H 4>S+ 0 0 0 0, 0.0 5,-2.2 0, 0.0 3,-0.4 0.853 113.9 55.3 -67.7 -29.7 17.5 8.6 0.2 77 76 A L H ><5S+ 0 0 6 -4,-0.8 3,-1.6 -3,-0.2 23,-0.2 0.930 103.0 52.8 -68.8 -44.6 19.9 10.6 2.4 78 77 A V H 3<5S+ 0 0 51 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.657 109.1 50.1 -72.0 -11.6 23.0 9.8 0.4 79 78 A I T 3<5S- 0 0 84 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.312 122.2-103.7-104.1 6.2 21.4 11.0 -2.8 80 79 A G T <>5 + 0 0 6 -3,-1.6 4,-2.2 -4,-0.2 5,-0.2 0.819 62.6 153.7 84.5 36.1 20.2 14.3 -1.3 81 80 A V H > S+ 0 0 0 13,-0.4 4,-2.8 -6,-0.2 5,-0.2 0.947 107.4 50.1 -66.3 -43.2 17.1 16.6 2.2 83 82 A D H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 113.1 48.0 -59.0 -44.2 18.8 19.0 -0.1 84 83 A A H X S+ 0 0 29 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.929 112.9 46.6 -64.9 -46.8 16.0 18.7 -2.6 85 84 A F H <>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.2 3,-0.4 0.918 113.4 48.5 -63.2 -44.2 13.2 19.2 -0.0 86 85 A R H ><5S+ 0 0 84 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.884 105.2 57.5 -67.1 -33.8 14.9 22.2 1.6 87 86 A A H 3<5S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.791 108.4 49.8 -62.8 -29.0 15.5 23.8 -1.8 88 87 A A T 3<5S- 0 0 41 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.265 121.7-108.9 -91.7 4.0 11.7 23.6 -2.2 89 88 A G T < 5S+ 0 0 71 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.627 70.6 142.4 82.2 15.4 11.0 25.1 1.2 90 89 A L < - 0 0 29 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.3 -0.723 53.9-119.1 -97.9 140.8 9.8 21.9 2.8 91 90 A A + 0 0 33 -2,-0.3 -22,-2.0 -24,-0.3 2,-0.4 -0.628 41.1 169.8 -79.8 125.8 10.6 21.0 6.4 92 91 A I E -d 69 0A 1 -2,-0.5 2,-0.8 -24,-0.2 -22,-0.2 -0.998 29.8-144.3-145.9 129.0 12.6 17.7 6.6 93 92 A F E +d 70 0A 1 -24,-2.8 -22,-2.0 -2,-0.4 177,-0.2 -0.864 63.7 76.6-100.6 104.0 14.3 16.0 9.5 94 93 A G S S- 0 0 2 -2,-0.8 2,-0.2 -24,-0.2 175,-0.2 -0.893 80.3 -73.9 170.5 166.6 17.5 14.3 8.2 95 94 A P - 0 0 2 0, 0.0 -13,-0.4 0, 0.0 -12,-0.2 -0.557 42.9-113.6 -81.6 147.7 21.0 15.1 7.0 96 95 A T > - 0 0 29 170,-0.4 4,-2.8 -2,-0.2 5,-0.2 -0.191 40.6 -98.2 -59.9 163.3 22.0 16.7 3.8 97 96 A Q H > S+ 0 0 95 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.906 127.5 50.3 -52.0 -43.9 23.9 14.6 1.3 98 97 A A H >4 S+ 0 0 31 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.915 113.2 43.3 -63.9 -44.6 27.1 16.2 2.6 99 98 A A H >4 S+ 0 0 0 1,-0.2 3,-1.7 167,-0.2 4,-0.3 0.832 104.4 67.4 -67.9 -32.4 26.3 15.6 6.2 100 99 A A H >X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.3 3,-1.1 0.632 77.1 82.9 -66.3 -13.2 25.1 12.0 5.3 101 100 A Q H S+ 0 0 112 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.914 94.9 50.5 -64.2 -41.8 33.1 4.2 6.3 107 106 A A H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.926 108.1 51.9 -62.0 -45.2 36.3 5.9 4.7 108 107 A F H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.939 112.9 46.6 -56.4 -46.0 34.9 9.4 5.3 109 108 A T H X S+ 0 0 7 -4,-1.9 4,-3.1 -8,-0.3 5,-0.3 0.914 106.7 54.7 -71.4 -38.3 34.2 8.6 8.9 110 109 A K H X S+ 0 0 49 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.931 112.8 45.0 -60.1 -40.7 37.5 7.0 9.6 111 110 A D H X S+ 0 0 85 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.913 113.2 50.6 -66.2 -40.8 39.2 10.2 8.4 112 111 A F H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.930 109.5 49.7 -61.9 -47.7 36.8 12.3 10.4 113 112 A L H <>S+ 0 0 8 -4,-3.1 5,-2.4 1,-0.2 4,-0.4 0.901 112.0 50.1 -59.3 -39.7 37.4 10.4 13.6 114 113 A A H ><5S+ 0 0 67 -4,-1.9 3,-1.3 -5,-0.3 -2,-0.2 0.945 110.1 46.8 -66.8 -48.6 41.1 10.7 13.2 115 114 A R H 3<5S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.807 117.6 43.6 -71.5 -19.3 41.3 14.4 12.5 116 115 A H T 3<5S- 0 0 56 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.337 105.8-125.5-101.0 4.5 38.9 15.1 15.5 117 116 A N T < 5 + 0 0 150 -3,-1.3 -3,-0.2 -4,-0.4 -4,-0.1 0.880 48.7 165.9 52.2 42.9 40.7 12.7 17.9 118 117 A I < - 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