==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-AUG-12 4GGM . COMPND 2 MOLECULE: UDP-2,3-DIACYLGLUCOSAMINE PYROPHOSPHATASE LPXI; . SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER CRESCENTUS; . AUTHOR L.E.METZGER IV,J.K.LEE,J.S.FINER-MOORE,C.R.H.RAETZ,R.M.STROU . 277 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 6.5 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 21 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 1 0 1 2 1 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 1 3 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X X 0 0 120 0, 0.0 26,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 112.6 27.6 -42.4 20.1 2 2 X R - 0 0 83 1,-0.1 2,-0.2 65,-0.1 64,-0.1 -0.399 360.0-110.1 -63.2 137.5 26.9 -42.6 16.3 3 3 X K - 0 0 59 62,-0.3 65,-1.3 -2,-0.1 64,-1.1 -0.551 39.1-124.2 -70.6 136.6 27.6 -39.4 14.4 4 4 X L E -ab 28 68A 0 23,-2.5 25,-1.4 -2,-0.2 2,-0.8 -0.664 16.3-158.1 -92.8 133.5 24.3 -37.8 13.3 5 5 X G E -ab 29 69A 0 63,-2.8 65,-2.6 -2,-0.4 2,-0.8 -0.904 20.0-160.4 -98.9 99.4 23.2 -36.8 9.8 6 6 X L E -ab 30 70A 0 23,-2.6 25,-3.3 -2,-0.8 2,-0.8 -0.757 1.5-158.1 -84.4 113.2 20.5 -34.3 10.5 7 7 X I E -ab 31 71A 3 63,-3.5 65,-2.3 -2,-0.8 2,-0.7 -0.844 17.3-149.2 -96.5 109.5 18.4 -34.0 7.4 8 8 X A E +ab 32 72A 0 23,-2.4 25,-1.8 -2,-0.8 29,-0.4 -0.728 23.4 170.3-100.6 109.2 16.8 -30.6 7.8 9 9 X G - 0 0 2 63,-2.8 29,-0.5 -2,-0.7 66,-0.2 -0.125 50.3 -52.6 -87.3-166.0 13.3 -29.7 6.4 10 10 X G B S+E 74 0B 10 64,-3.2 64,-3.2 27,-0.2 3,-0.3 -0.245 92.1 36.7 -69.9 156.6 11.4 -26.5 7.2 11 11 X G S S- 0 0 36 25,-0.5 4,-0.4 62,-0.2 27,-0.4 -0.388 93.6 -61.7 102.7-174.2 10.7 -25.1 10.7 12 12 X A S > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.487 104.5 82.8 -96.1 -5.8 12.2 -24.9 14.1 13 13 X L H > S+ 0 0 74 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.966 93.0 44.2 -66.5 -52.7 12.7 -28.5 15.0 14 14 X P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.877 112.1 56.0 -61.4 -33.2 16.0 -29.2 13.2 15 15 X V H > S+ 0 0 34 -4,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.950 109.0 44.5 -60.3 -52.5 17.3 -25.9 14.5 16 16 X E H X S+ 0 0 98 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.930 112.9 54.0 -52.8 -48.5 16.7 -26.9 18.1 17 17 X L H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.875 107.0 49.6 -57.2 -44.1 18.1 -30.3 17.4 18 18 X A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.951 111.9 47.8 -61.2 -50.5 21.4 -29.0 16.0 19 19 X S H X S+ 0 0 47 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.927 112.5 48.2 -58.6 -47.7 21.9 -26.7 19.0 20 20 X H H X S+ 0 0 10 -4,-2.7 4,-2.5 1,-0.2 6,-0.3 0.896 110.6 53.3 -61.2 -39.2 21.2 -29.4 21.5 21 21 X C H <>S+ 0 0 0 -4,-2.3 5,-1.8 -5,-0.3 -1,-0.2 0.879 111.4 45.0 -59.3 -40.4 23.6 -31.7 19.6 22 22 X E H ><5S+ 0 0 98 -4,-2.1 3,-0.6 3,-0.2 -2,-0.2 0.871 112.2 51.3 -77.2 -37.6 26.3 -29.1 19.8 23 23 X A H 3<5S+ 0 0 35 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.904 110.6 48.8 -60.0 -42.8 25.7 -28.4 23.5 24 24 X A T 3<5S- 0 0 7 -4,-2.5 232,-1.5 -5,-0.2 233,-0.2 0.587 112.8-124.0 -73.8 -7.7 25.9 -32.1 24.2 25 25 X G T < 5 + 0 0 57 -3,-0.6 -3,-0.2 1,-0.2 -4,-0.1 0.577 56.1 158.9 72.3 10.3 29.1 -32.1 22.2 26 26 X R < - 0 0 15 -5,-1.8 -1,-0.2 -6,-0.3 2,-0.2 -0.405 44.1-111.9 -70.4 140.4 27.5 -34.8 20.0 27 27 X A + 0 0 52 -26,-0.2 -23,-2.5 -2,-0.1 2,-0.3 -0.506 54.1 137.5 -74.2 135.0 29.1 -35.2 16.5 28 28 X F E -a 4 0A 16 -25,-0.2 2,-0.3 -2,-0.2 -23,-0.2 -0.927 37.4-148.5-155.8-176.7 27.0 -34.2 13.5 29 29 X A E -a 5 0A 0 -25,-1.4 -23,-2.6 -2,-0.3 2,-0.5 -0.949 23.9-125.7-154.5 159.3 26.4 -32.6 10.1 30 30 X V E -ac 6 46A 0 15,-2.3 17,-2.2 -2,-0.3 2,-0.9 -0.945 6.1-159.3-116.6 125.0 23.4 -30.9 8.6 31 31 X X E -ac 7 47A 0 -25,-3.3 -23,-2.4 -2,-0.5 2,-0.9 -0.858 21.9-156.6 -96.0 97.8 21.9 -31.7 5.2 32 32 X R E -ac 8 48A 15 15,-2.6 17,-1.3 -2,-0.9 2,-0.5 -0.680 7.6-140.5 -86.2 105.6 20.0 -28.5 4.5 33 33 X L E >> - c 0 49A 20 -25,-1.8 4,-2.6 -2,-0.9 3,-2.3 -0.521 30.4-109.6 -67.3 114.4 17.1 -29.1 2.1 34 34 X R T 34 S+ 0 0 130 15,-2.2 17,-0.3 -2,-0.5 -1,-0.1 -0.143 98.2 6.6 -51.6 131.9 17.0 -26.2 -0.3 35 35 X S T 34 S+ 0 0 119 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.347 130.0 61.9 74.2 -4.7 14.0 -23.9 0.2 36 36 X F T <4 S+ 0 0 48 -3,-2.3 -25,-0.5 -28,-0.2 -2,-0.2 0.759 79.8 81.1-108.4 -59.9 13.0 -25.9 3.3 37 37 X A S < S- 0 0 20 -4,-2.6 -2,-0.2 -29,-0.4 -27,-0.2 -0.261 83.5-115.2 -60.2 128.3 15.9 -25.5 5.8 38 38 X D > - 0 0 69 -29,-0.5 3,-0.9 -27,-0.4 -1,-0.1 -0.346 25.5-122.8 -58.3 138.7 15.9 -22.3 7.9 39 39 X P G > S+ 0 0 89 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.696 100.7 81.6 -69.2 -15.5 19.1 -20.3 7.0 40 40 X S G 3 S+ 0 0 61 1,-0.3 -2,-0.1 2,-0.1 4,-0.0 0.288 83.5 68.5 -71.9 16.6 20.4 -20.2 10.6 41 41 X L G X S+ 0 0 0 -3,-0.9 3,-1.5 2,-0.1 -1,-0.3 0.487 70.6 86.7-107.9 -11.1 21.7 -23.7 9.8 42 42 X D T < S+ 0 0 88 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.701 79.4 68.6 -63.2 -17.8 24.3 -22.5 7.3 43 43 X R T 3 S+ 0 0 176 -4,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.776 87.8 78.2 -73.9 -27.0 26.6 -22.1 10.3 44 44 X Y S < S- 0 0 14 -3,-1.5 2,-0.1 1,-0.1 -15,-0.1 -0.471 93.7 -97.2 -83.9 153.8 26.9 -25.8 10.9 45 45 X P S S+ 0 0 72 0, 0.0 -15,-2.3 0, 0.0 2,-0.3 -0.446 81.3 71.3 -68.5 144.6 29.1 -28.2 8.9 46 46 X G E S-c 30 0A 27 -17,-0.3 2,-0.3 -2,-0.1 -15,-0.2 -0.994 74.6 -68.0 148.8-145.0 27.3 -30.1 6.1 47 47 X A E -c 31 0A 19 -17,-2.2 -15,-2.6 -2,-0.3 2,-0.8 -0.992 20.6-126.2-152.1 148.3 25.7 -29.3 2.8 48 48 X D E +c 32 0A 60 -2,-0.3 2,-0.4 -17,-0.2 -15,-0.2 -0.900 41.8 169.9 -96.8 109.0 22.9 -27.5 1.0 49 49 X V E -c 33 0A 1 -17,-1.3 -15,-2.2 -2,-0.8 2,-0.2 -0.954 26.5-137.7-119.6 142.9 21.2 -30.1 -1.2 50 50 X G > - 0 0 10 -2,-0.4 3,-2.4 -17,-0.2 2,-0.5 -0.489 44.2 -77.0 -79.2 159.7 17.9 -29.9 -3.1 51 51 X I T 3 S+ 0 0 71 1,-0.3 33,-0.4 -17,-0.3 -1,-0.0 -0.891 117.3 22.6 -88.3 133.6 15.5 -32.6 -3.1 52 52 X G T 3 S+ 0 0 3 -2,-0.5 2,-1.9 31,-0.2 34,-0.7 -0.333 75.4 118.3-118.5 76.8 16.2 -34.8 -4.8 53 53 X E <> + 0 0 48 -3,-2.4 4,-2.0 32,-0.2 5,-0.1 -0.595 34.9 158.1 -78.7 69.8 19.9 -34.6 -5.3 54 54 X F H > + 0 0 9 -2,-1.9 4,-2.6 2,-0.2 5,-0.3 0.875 68.4 57.2 -61.4 -43.7 20.0 -38.1 -3.6 55 55 X G H > S+ 0 0 23 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.948 110.0 45.1 -51.6 -51.1 23.4 -38.8 -5.1 56 56 X K H > S+ 0 0 86 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.878 111.0 53.1 -59.4 -42.8 24.7 -35.6 -3.5 57 57 X I H X S+ 0 0 8 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.917 110.9 44.2 -68.8 -40.3 23.1 -36.4 -0.1 58 58 X F H X S+ 0 0 8 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.868 113.2 55.5 -64.9 -36.5 24.6 -39.9 0.2 59 59 X K H X S+ 0 0 155 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.965 113.8 36.8 -60.6 -55.7 27.9 -38.4 -1.0 60 60 X A H X S+ 0 0 17 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.828 112.3 60.3 -69.7 -33.4 28.0 -35.7 1.8 61 61 X L H <>S+ 0 0 0 -4,-2.3 5,-2.4 -5,-0.3 3,-0.4 0.951 113.4 36.7 -59.5 -49.2 26.5 -38.1 4.3 62 62 X R H ><5S+ 0 0 126 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.904 110.5 62.6 -67.8 -42.3 29.4 -40.5 3.9 63 63 X A H 3<5S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.751 108.9 42.3 -54.6 -26.2 31.8 -37.5 3.5 64 64 X E T 3<5S- 0 0 60 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.469 114.8-120.1 -95.6 -1.5 30.8 -36.5 7.1 65 65 X G T < 5 + 0 0 42 -3,-2.0 2,-0.5 -4,-0.2 -62,-0.3 0.928 52.9 163.7 61.2 45.0 31.0 -40.1 8.3 66 66 X C < + 0 0 1 -5,-2.4 -1,-0.2 1,-0.1 -62,-0.2 -0.831 18.5 171.4 -91.2 132.1 27.4 -40.2 9.4 67 67 X D + 0 0 100 -64,-1.1 54,-2.7 -2,-0.5 2,-0.4 0.457 69.1 51.9-115.1 -9.8 26.0 -43.7 9.9 68 68 X V E -bd 4 121A 0 -65,-1.3 -63,-2.8 52,-0.2 2,-0.3 -0.989 68.5-166.4-126.3 137.9 22.8 -42.5 11.5 69 69 X V E -bd 5 122A 0 52,-2.8 54,-3.0 -2,-0.4 2,-0.4 -0.919 7.9-161.4-122.4 150.7 20.3 -40.0 10.1 70 70 X C E -bd 6 123A 0 -65,-2.6 -63,-3.5 -2,-0.3 2,-0.7 -0.998 10.0-150.3-126.8 132.3 17.4 -38.1 11.4 71 71 X F E +b 7 0A 65 52,-0.6 2,-0.4 -2,-0.4 54,-0.3 -0.904 29.8 164.7-101.4 114.9 14.7 -36.4 9.3 72 72 X A E +b 8 0A 6 -65,-2.3 -63,-2.8 -2,-0.7 2,-0.2 -0.996 28.5 39.1-138.0 131.7 13.3 -33.4 11.0 73 73 X G S S- 0 0 29 -2,-0.4 2,-0.3 -65,-0.2 -62,-0.2 -0.512 87.2 -48.8 124.7 169.8 11.2 -30.5 9.8 74 74 X N B +E 10 0B 116 -64,-3.2 -64,-3.2 -2,-0.2 2,-0.3 -0.611 53.6 167.6 -76.8 130.9 8.4 -29.7 7.5 75 75 X V - 0 0 86 -2,-0.3 2,-0.3 -66,-0.2 -2,-0.1 -0.978 14.1-164.0-138.2 136.3 8.5 -31.1 4.0 76 76 X S - 0 0 83 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.821 40.3 -87.1-109.8 157.1 5.7 -31.3 1.4 77 77 X R - 0 0 102 -2,-0.3 -1,-0.1 1,-0.1 3,-0.0 -0.381 53.8-133.1 -59.8 141.9 5.6 -33.4 -1.7 78 78 X P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.090 23.9 -83.1 -86.8-174.9 7.3 -31.5 -4.5 79 79 X D - 0 0 91 1,-0.1 4,-0.2 -2,-0.0 0, 0.0 -0.832 36.2-155.3 -86.6 128.2 6.5 -30.8 -8.2 80 80 X F S S+ 0 0 55 -2,-0.5 -1,-0.1 2,-0.2 17,-0.0 0.664 90.6 46.4 -87.9 -12.6 7.7 -33.9 -10.0 81 81 X S S S+ 0 0 103 1,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.880 112.1 48.5 -85.7 -46.8 8.1 -32.0 -13.3 82 82 X A S S+ 0 0 70 2,-0.1 2,-0.2 0, 0.0 -2,-0.2 0.450 87.9 117.6 -73.1 -1.8 10.0 -29.0 -11.9 83 83 X L - 0 0 25 -4,-0.2 -31,-0.2 1,-0.1 -3,-0.0 -0.493 50.9-161.8 -71.6 134.1 12.3 -31.4 -10.0 84 84 X X + 0 0 152 -33,-0.4 -34,-0.1 -2,-0.2 -1,-0.1 -0.659 21.5 179.9-114.7 74.4 15.9 -31.2 -11.0 85 85 X P - 0 0 29 0, 0.0 -32,-0.2 0, 0.0 2,-0.1 -0.358 25.7-125.4 -74.3 152.8 17.4 -34.5 -9.7 86 86 X D > - 0 0 40 -34,-0.7 4,-1.9 -2,-0.1 3,-0.4 -0.243 49.4 -82.2 -78.6-176.6 20.9 -35.7 -10.0 87 87 X A T 4 S+ 0 0 87 2,-0.3 4,-0.1 1,-0.2 -34,-0.1 0.223 127.5 47.2 -83.6 21.5 21.5 -39.1 -11.5 88 88 X R T 4 S+ 0 0 45 -36,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.847 110.3 55.2-114.8 -38.5 20.7 -41.1 -8.4 89 89 X G T > S+ 0 0 2 -37,-0.5 4,-1.8 -3,-0.4 -2,-0.3 0.432 102.6 47.7 99.4-110.4 18.3 -39.3 -8.1 90 90 X L T < S+ 0 0 99 -4,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.840 109.0 60.2 -67.2 -31.5 16.8 -39.9 -11.5 91 91 X K T 4 S+ 0 0 142 1,-0.2 4,-0.3 -5,-0.2 -2,-0.3 0.939 111.8 37.3 -60.2 -45.4 17.3 -43.7 -10.9 92 92 X V T >> S+ 0 0 6 -4,-0.3 4,-1.3 1,-0.2 3,-0.9 0.817 94.0 92.1 -75.0 -33.1 15.1 -43.6 -7.7 93 93 X L H 3X S+ 0 0 29 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.697 82.0 49.4 -37.8 -46.4 12.5 -41.2 -9.1 94 94 X P H 3> S+ 0 0 75 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.940 105.9 56.2 -68.8 -41.7 10.0 -43.6 -10.6 95 95 X S H <> S+ 0 0 46 -3,-0.9 4,-1.7 -4,-0.3 -2,-0.2 0.848 108.9 51.5 -50.8 -37.4 9.8 -45.8 -7.5 96 96 X L H X S+ 0 0 12 -4,-1.3 4,-3.2 2,-0.2 -1,-0.2 0.936 104.7 52.9 -64.7 -50.2 8.9 -42.6 -5.7 97 97 X I H X S+ 0 0 52 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.828 107.6 53.4 -60.8 -33.3 6.1 -41.6 -8.1 98 98 X V H < S+ 0 0 89 -4,-2.1 3,-0.5 2,-0.2 4,-0.3 0.959 113.9 40.4 -61.2 -54.5 4.5 -45.1 -7.6 99 99 X A H >X S+ 0 0 2 -4,-1.7 3,-2.0 1,-0.2 4,-0.6 0.877 110.1 60.3 -61.0 -39.7 4.5 -44.7 -3.8 100 100 X A H >< S+ 0 0 5 -4,-3.2 3,-0.7 1,-0.3 -1,-0.2 0.822 97.7 59.3 -58.3 -31.7 3.4 -41.0 -4.2 101 101 X R T 3< S+ 0 0 207 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.568 105.3 50.1 -71.8 -11.8 0.3 -42.3 -6.0 102 102 X K T <4 S- 0 0 157 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.463 125.8 -79.4-104.1 -10.5 -0.6 -44.2 -2.8 103 103 X G S+ 0 0 84 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.867 125.6 57.6 -50.5 -40.5 2.4 -39.0 1.3 105 105 X D H > S+ 0 0 135 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.941 108.1 43.0 -58.6 -51.9 2.8 -41.8 3.9 106 106 X A H > S+ 0 0 27 -7,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.850 116.0 52.2 -63.2 -33.7 3.9 -44.4 1.3 107 107 X L H X S+ 0 0 17 -4,-2.2 4,-2.3 -8,-0.4 -2,-0.2 0.962 111.1 43.4 -67.5 -55.6 6.1 -41.8 -0.3 108 108 X L H X S+ 0 0 99 -4,-3.6 4,-2.1 1,-0.2 -2,-0.2 0.948 114.9 52.2 -52.5 -48.8 7.8 -40.8 2.9 109 109 X R H X S+ 0 0 109 -4,-3.0 4,-2.0 -5,-0.3 -2,-0.2 0.928 107.4 51.9 -54.4 -48.6 8.1 -44.5 3.7 110 110 X R H X S+ 0 0 49 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.869 106.0 54.0 -55.1 -43.1 9.7 -45.1 0.3 111 111 X V H >X S+ 0 0 32 -4,-2.3 4,-1.6 1,-0.2 3,-0.6 0.936 108.7 49.5 -56.9 -46.4 12.3 -42.4 0.8 112 112 X L H 3X S+ 0 0 28 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.862 102.8 60.3 -62.9 -36.9 13.3 -44.1 4.1 113 113 X D H 3X S+ 0 0 45 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.854 105.1 51.5 -56.3 -35.4 13.6 -47.5 2.3 114 114 X E H S+ 0 0 5 -4,-1.6 5,-3.5 2,-0.2 4,-0.8 0.844 115.9 48.6 -64.9 -33.0 18.3 -44.5 3.0 116 116 X E H <5S+ 0 0 80 -4,-2.4 -2,-0.2 3,-0.3 3,-0.2 0.929 112.4 46.6 -71.4 -45.5 18.0 -47.9 4.7 117 117 X K H <5S+ 0 0 167 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.675 118.6 43.3 -67.6 -16.2 19.0 -49.8 1.6 118 118 X E H <5S- 0 0 55 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.932 127.7-114.6 -74.0 -49.9 21.9 -47.4 1.0 119 119 X G T <5 + 0 0 46 -4,-0.8 2,-0.3 -3,-0.2 -3,-0.3 0.356 67.4 134.1-158.5 126.3 22.3 -47.7 4.0 120 120 X F < - 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