==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-DEC-07 3BRK . COMPND 2 MOLECULE: GLUCOSE-1-PHOSPHATE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR J.CUPP-VICKERY,C.MEYER,R.IGARASHI . 395 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 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 . 3 0.8 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 . 44 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 2 1 2 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 4 0 2 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 PARALLEL BRIDGES PER LADDER . 4 4 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 0 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 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 7 X Q 0 0 173 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.5 41.9 28.8 75.3 2 8 X P > - 0 0 66 0, 0.0 3,-1.0 0, 0.0 4,-0.3 -0.147 360.0-144.6 -38.6 123.6 40.5 26.9 72.2 3 9 X L G > S+ 0 0 25 1,-0.2 3,-1.1 2,-0.2 112,-0.1 0.708 91.8 76.4 -72.1 -19.2 36.8 26.8 72.8 4 10 X A G > S+ 0 0 5 1,-0.2 3,-1.4 2,-0.2 50,-0.4 0.793 81.8 68.1 -57.6 -30.9 36.6 23.3 71.2 5 11 X R G < S+ 0 0 164 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.855 106.7 40.6 -57.5 -33.8 38.1 21.9 74.5 6 12 X D G < S+ 0 0 81 -3,-1.1 109,-1.9 -4,-0.3 110,-1.8 0.242 100.3 93.9-104.2 13.2 34.8 22.8 76.1 7 13 X A E < -a 116 0A 2 -3,-1.4 48,-0.5 108,-0.2 2,-0.4 -0.710 53.8-154.0-106.9 153.7 32.3 21.8 73.4 8 14 X X E -ab 117 55A 0 108,-2.0 110,-2.4 -2,-0.3 2,-0.5 -0.991 13.8-142.8-119.9 133.0 30.3 18.8 72.7 9 15 X A E -ab 118 56A 0 46,-2.7 48,-2.7 -2,-0.4 2,-0.5 -0.840 14.0-163.8 -93.5 131.6 29.2 17.9 69.1 10 16 X Y E -ab 119 57A 0 108,-3.1 110,-2.6 -2,-0.5 2,-0.6 -0.978 7.2-154.1-121.4 118.6 25.7 16.4 69.0 11 17 X V E -ab 120 58A 0 46,-3.2 48,-2.8 -2,-0.5 2,-0.7 -0.841 6.9-151.2-108.0 119.1 24.9 14.7 65.7 12 18 X L E +ab 121 59A 27 108,-3.0 110,-2.5 -2,-0.6 111,-0.2 -0.796 27.3 162.6 -85.9 115.1 21.4 14.3 64.5 13 19 X A E + b 0 60A 1 46,-2.7 48,-0.5 -2,-0.7 -1,-0.1 -0.230 40.8 98.8-133.3 39.6 21.4 11.2 62.4 14 20 X G + 0 0 23 46,-0.3 48,-0.6 47,-0.1 -1,-0.1 0.521 44.8 134.4-104.8 -12.3 17.7 10.1 62.1 15 21 X G - 0 0 35 1,-0.1 14,-2.1 -3,-0.1 46,-0.1 -0.123 43.5-157.0 -40.4 126.0 17.2 11.6 58.7 16 22 X R - 0 0 35 12,-0.2 -1,-0.1 13,-0.1 11,-0.1 0.745 16.3-140.2 -86.6 -25.5 15.4 9.1 56.5 17 23 X G > - 0 0 16 11,-0.1 3,-1.6 2,-0.1 4,-0.3 0.982 26.7-178.5 55.5 58.8 16.4 10.3 53.1 18 24 X S G > S+ 0 0 107 1,-0.3 3,-1.5 2,-0.2 6,-0.1 0.871 74.7 57.6 -56.0 -40.1 12.9 9.6 51.8 19 25 X R G 3 S+ 0 0 149 1,-0.3 233,-0.8 231,-0.2 -1,-0.3 0.511 91.1 68.9 -74.4 -7.6 13.8 10.7 48.3 20 26 X L G X S- 0 0 0 -3,-1.6 3,-2.0 1,-0.2 -1,-0.3 0.515 85.8-172.5 -84.2 -7.2 16.7 8.2 48.0 21 27 X K G X + 0 0 83 -3,-1.5 3,-1.7 -4,-0.3 -1,-0.2 -0.242 64.7 10.2 60.1-123.9 13.9 5.6 47.9 22 28 X E G > S+ 0 0 47 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.666 118.7 72.6 -69.2 -16.4 15.1 2.0 48.1 23 29 X L G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.2 3,-0.2 0.831 108.8 35.0 -55.7 -36.9 18.7 3.3 48.9 24 30 X T G < S+ 0 0 19 -3,-1.7 -1,-0.2 -7,-0.2 3,-0.2 0.087 86.7 104.5-107.7 22.9 17.3 4.1 52.4 25 31 X D S < S+ 0 0 110 -3,-0.9 -1,-0.1 1,-0.2 -2,-0.1 0.821 99.0 17.8 -73.1 -35.8 14.8 1.3 52.8 26 32 X R S S+ 0 0 219 -4,-0.3 40,-0.3 -3,-0.2 2,-0.3 0.069 128.3 45.8-121.6 23.0 17.0 -0.7 55.3 27 33 X R S S- 0 0 30 -3,-0.2 37,-0.2 -11,-0.1 36,-0.1 -0.977 81.2-107.2-157.8 153.2 19.4 2.0 56.4 28 34 X A > - 0 0 2 35,-0.7 3,-1.3 -2,-0.3 4,-0.3 -0.399 37.1-108.6 -82.5 161.4 19.3 5.7 57.5 29 35 X K G > S+ 0 0 6 -14,-2.1 3,-2.3 1,-0.3 11,-0.3 0.912 118.1 57.7 -60.0 -44.8 20.5 8.4 55.3 30 36 X P G 3 S+ 0 0 1 0, 0.0 11,-2.6 0, 0.0 12,-0.3 0.723 102.5 58.3 -58.6 -19.6 23.7 9.1 57.4 31 37 X A G < S+ 0 0 0 -3,-1.3 2,-0.2 9,-0.2 -2,-0.2 0.492 79.0 118.7 -83.0 -8.0 24.6 5.4 56.8 32 38 X V S < S- 0 0 0 -3,-2.3 8,-2.3 -4,-0.3 9,-0.1 -0.446 70.8-114.8 -66.9 128.5 24.6 5.8 53.1 33 39 X Y E -J 39 0B 32 6,-0.2 2,-0.3 -2,-0.2 6,-0.3 -0.324 37.9-175.0 -59.7 138.2 28.0 5.1 51.5 34 40 X F E >> -J 38 0B 0 4,-3.0 4,-1.7 -2,-0.0 3,-1.4 -0.981 49.7 -6.6-145.0 132.5 29.8 8.0 49.8 35 41 X G T 34 S- 0 0 0 -2,-0.3 287,-0.1 1,-0.3 4,-0.1 0.486 98.5 -84.3 81.7 9.1 32.9 8.5 47.7 36 42 X G T 34 S+ 0 0 32 2,-0.2 -1,-0.3 285,-0.1 3,-0.1 0.687 126.7 82.4 60.9 19.9 34.5 5.1 47.9 37 43 X K T <4 S- 0 0 59 -3,-1.4 2,-0.2 1,-0.3 -2,-0.2 0.728 96.7 -37.8-128.4 -35.1 35.7 6.9 51.0 38 44 X A E < -J 34 0B 9 -4,-1.7 -4,-3.0 242,-0.1 -1,-0.3 -0.880 62.9 -75.9 179.9-179.0 33.2 6.8 54.0 39 45 X R E > -J 33 0B 24 -6,-0.3 3,-1.5 -2,-0.2 4,-0.4 -0.821 49.9-106.1-105.7 158.6 29.5 7.0 55.0 40 46 X I T >> S+ 0 0 0 -8,-2.3 3,-1.8 -11,-0.3 4,-0.6 0.896 117.6 60.0 -54.8 -42.1 27.8 10.3 54.9 41 47 X I H 3> S+ 0 0 0 -11,-2.6 4,-1.9 1,-0.3 -1,-0.3 0.792 89.9 72.3 -59.9 -26.1 27.8 10.6 58.7 42 48 X D H <> S+ 0 0 0 -3,-1.5 4,-2.4 -12,-0.3 237,-0.3 0.688 87.4 63.8 -63.8 -22.5 31.6 10.4 58.8 43 49 X F H <> S+ 0 0 2 -3,-1.8 4,-2.3 -4,-0.4 -1,-0.2 0.971 106.7 40.0 -65.3 -55.7 32.0 14.0 57.4 44 50 X A H X S+ 0 0 0 -4,-0.6 4,-2.2 80,-0.3 -2,-0.2 0.915 117.8 50.3 -55.1 -48.1 30.3 15.7 60.4 45 51 X L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.959 111.7 47.3 -56.9 -49.1 32.1 13.3 62.8 46 52 X S H X S+ 0 0 1 -4,-2.4 4,-3.1 233,-0.2 -1,-0.2 0.846 108.8 54.6 -64.6 -35.5 35.4 14.0 61.2 47 53 X N H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 83,-0.3 0.927 108.9 48.6 -61.5 -48.4 34.8 17.8 61.2 48 54 X A H <>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 3,-0.4 0.969 115.0 44.2 -56.5 -53.4 34.2 17.8 64.9 49 55 X L H ><5S+ 0 0 27 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.935 113.9 49.7 -56.0 -47.7 37.3 15.7 65.6 50 56 X N H 3<5S+ 0 0 49 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.780 108.0 55.5 -67.4 -24.4 39.4 17.9 63.2 51 57 X S T 3<5S- 0 0 10 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.403 123.8-103.1 -86.5 -1.4 38.1 21.0 65.0 52 58 X G T < 5S+ 0 0 30 -3,-2.0 2,-0.9 -4,-0.3 -3,-0.2 0.522 75.8 139.4 88.5 8.3 39.3 19.7 68.4 53 59 X I < + 0 0 0 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.788 21.3 173.0 -87.5 111.6 35.9 18.6 69.7 54 60 X R + 0 0 97 -2,-0.9 31,-2.1 -50,-0.4 2,-0.5 0.373 57.2 77.3-102.6 0.4 36.6 15.3 71.5 55 61 X R E +bc 8 85A 38 -48,-0.5 -46,-2.7 29,-0.2 2,-0.4 -0.968 60.9 170.9-112.4 119.6 33.1 14.8 73.0 56 62 X I E -bc 9 86A 0 29,-2.7 31,-2.4 -2,-0.5 2,-0.3 -0.995 15.9-173.9-131.3 132.2 30.6 13.5 70.4 57 63 X G E -bc 10 87A 0 -48,-2.7 -46,-3.2 -2,-0.4 2,-0.4 -0.924 7.3-162.5-115.0 150.7 27.0 12.3 70.8 58 64 X V E -bc 11 88A 0 29,-2.2 31,-2.7 -2,-0.3 2,-0.5 -0.967 4.3-157.1-135.0 114.3 25.0 10.8 67.9 59 65 X A E -bc 12 89A 4 -48,-2.8 -46,-2.7 -2,-0.4 2,-0.2 -0.845 15.3-171.0 -92.8 122.4 21.2 10.5 68.1 60 66 X T E +b 13 0A 2 29,-1.1 -46,-0.3 -2,-0.5 3,-0.1 -0.651 16.2 162.0-106.0 167.6 19.7 7.9 65.8 61 67 X Q > + 0 0 77 -48,-0.5 3,-0.6 1,-0.4 -1,-0.1 0.148 52.3 40.8-140.4 -92.6 16.0 7.1 64.9 62 68 X Y T 3 S- 0 0 52 -48,-0.6 -1,-0.4 1,-0.2 -34,-0.1 -0.390 120.2 -15.7 -82.4 143.6 14.8 5.1 61.9 63 69 X K T 3 S+ 0 0 52 1,-0.2 -35,-0.7 -2,-0.1 3,-0.4 0.768 79.8 156.2 35.9 54.1 16.5 1.9 60.6 64 70 X A <> + 0 0 10 -3,-0.6 4,-2.8 1,-0.2 5,-0.3 0.471 32.8 103.6 -91.6 -3.8 19.6 2.6 62.6 65 71 X H H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 87.4 38.4 -49.3 -51.7 21.0 -0.9 62.8 66 72 X S H > S+ 0 0 13 -3,-0.4 4,-2.0 -40,-0.3 -1,-0.2 0.844 115.9 53.6 -74.3 -31.2 23.8 -0.5 60.2 67 73 X L H > S+ 0 0 0 -4,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.870 110.4 46.7 -63.8 -44.8 24.6 3.1 61.3 68 74 X I H X S+ 0 0 33 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.922 111.4 50.8 -67.0 -46.0 25.1 2.0 64.9 69 75 X R H X S+ 0 0 99 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.912 110.9 50.7 -58.1 -41.8 27.2 -1.0 63.9 70 76 X H H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 5,-0.4 0.921 112.4 45.1 -60.3 -47.3 29.3 1.5 61.8 71 77 X L H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.901 112.2 52.0 -63.8 -43.0 29.7 3.8 64.7 72 78 X Q H < S+ 0 0 118 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.924 119.9 34.7 -57.8 -43.4 30.6 0.9 67.1 73 79 X R H < S+ 0 0 107 -4,-2.4 3,-0.3 -5,-0.2 -2,-0.2 0.828 128.0 33.3 -87.3 -30.9 33.2 -0.4 64.7 74 80 X G H < S+ 0 0 2 -4,-2.7 2,-0.5 -5,-0.2 3,-0.2 0.807 117.8 45.6 -94.6 -38.4 34.6 2.8 63.3 75 81 X W S < S+ 0 0 6 -4,-2.1 3,-0.3 -5,-0.4 -1,-0.2 -0.430 76.6 116.9-109.7 56.4 34.4 5.4 66.0 76 82 X D + 0 0 112 -2,-0.5 -1,-0.2 -3,-0.3 -4,-0.1 0.278 44.8 87.6-111.9 12.4 35.8 3.3 68.9 77 83 X F + 0 0 62 -3,-0.2 2,-0.4 8,-0.0 -1,-0.2 0.266 56.1 109.0-106.1 12.9 38.9 5.2 69.8 78 84 X F - 0 0 17 -3,-0.3 8,-0.2 8,-0.1 5,-0.0 -0.771 47.5-163.0 -95.2 132.3 37.7 7.7 72.4 79 85 X R > > - 0 0 126 -2,-0.4 3,-1.8 1,-0.1 5,-1.4 -0.947 17.4-146.0-117.9 124.7 38.6 7.2 76.1 80 86 X P G > 5S+ 0 0 81 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.777 97.6 66.3 -60.9 -26.3 36.7 9.0 78.9 81 87 X E G 3 5S+ 0 0 131 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.673 101.3 50.4 -64.3 -24.8 39.9 9.2 81.0 82 88 X R G < 5S- 0 0 146 -3,-1.8 -1,-0.3 2,-0.2 3,-0.1 0.150 125.7-102.8 -95.7 19.1 41.2 11.6 78.4 83 89 X N T < 5S+ 0 0 112 -3,-1.7 2,-0.4 1,-0.3 -29,-0.2 0.856 84.8 129.3 59.1 35.7 38.1 13.7 78.4 84 90 X E < + 0 0 18 -5,-1.4 2,-0.3 -29,-0.1 -1,-0.3 -0.927 31.4 172.9-115.0 144.1 37.0 12.1 75.2 85 91 X S E -c 55 0A 4 -31,-2.1 -29,-2.7 -2,-0.4 2,-0.4 -0.987 20.8-171.6-152.0 144.7 33.6 10.5 74.7 86 92 X F E -c 56 0A 34 -2,-0.3 2,-0.5 -8,-0.2 -29,-0.2 -0.911 17.3-172.9-133.8 109.1 31.5 9.0 71.9 87 93 X D E -c 57 0A 36 -31,-2.4 -29,-2.2 -2,-0.4 2,-0.6 -0.902 13.5-157.7-110.9 123.7 27.9 8.3 72.8 88 94 X I E -c 58 0A 49 -2,-0.5 -29,-0.2 -31,-0.2 -2,-0.0 -0.908 17.1-171.9 -99.9 122.2 25.6 6.4 70.5 89 95 X L E +c 59 0A 10 -31,-2.7 -29,-1.1 -2,-0.6 -2,-0.0 -0.756 27.2 175.0-127.8 80.2 22.0 7.3 71.5 90 96 X P + 0 0 78 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.411 61.4 108.8 -66.5 4.7 19.1 5.5 70.0 91 97 X A 0 0 45 10,-0.1 -31,-0.1 4,-0.0 -2,-0.1 -0.884 360.0 360.0 -78.8 126.7 17.3 7.7 72.6 92 98 X S 0 0 11 -2,-0.6 -31,-0.2 -33,-0.1 4,-0.1 -0.911 360.0 360.0 62.9 360.0 15.9 9.7 69.9 93 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 94 106 X W 0 0 113 0, 0.0 2,-0.5 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0-104.3 9.8 6.7 70.0 95 107 X Y - 0 0 10 1,-0.1 9,-0.1 5,-0.1 5,-0.0 -0.710 360.0-168.0 119.1 -79.0 11.8 9.9 69.5 96 108 X E - 0 0 85 -2,-0.5 2,-0.3 -4,-0.1 3,-0.1 0.170 56.5 -0.4 89.2 -18.8 9.2 12.5 68.6 97 109 X G > - 0 0 33 1,-0.1 4,-0.8 2,-0.0 0, 0.0 -0.931 66.2-102.8 171.7 163.1 11.4 15.3 67.5 98 110 X T H > S+ 0 0 89 -2,-0.3 4,-0.6 2,-0.2 3,-0.3 0.893 120.6 48.7 -68.1 -42.6 14.9 16.7 66.8 99 111 X A H >> S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 3,-0.9 0.876 108.2 54.0 -66.0 -41.1 14.8 18.8 70.0 100 112 X D H 3> S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.702 95.2 70.6 -64.2 -25.5 13.7 15.8 72.0 101 113 X A H 3< S+ 0 0 4 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.830 110.7 31.2 -59.9 -36.5 16.8 14.0 70.6 102 114 X V H X< S+ 0 0 9 -3,-0.9 3,-1.3 -4,-0.6 -2,-0.2 0.825 117.4 57.8 -86.7 -39.7 18.9 16.3 72.8 103 115 X Y H >< S+ 0 0 99 -4,-2.2 3,-1.8 1,-0.3 4,-0.2 0.923 100.8 54.4 -58.6 -51.2 16.4 16.7 75.6 104 116 X Q T 3< S+ 0 0 103 -4,-2.6 -1,-0.3 1,-0.3 3,-0.1 0.488 109.9 48.5 -67.2 -5.7 16.0 13.0 76.4 105 117 X N T X> + 0 0 5 -3,-1.3 4,-1.7 -5,-0.1 3,-1.7 0.022 67.8 116.9-123.2 25.1 19.8 12.6 76.9 106 118 X I H <> S+ 0 0 33 -3,-1.8 4,-2.5 1,-0.3 -2,-0.1 0.825 74.2 62.9 -56.3 -30.3 20.4 15.6 79.2 107 119 X D H 34 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.553 104.5 45.4 -77.7 -10.6 21.4 12.9 81.7 108 120 X I H <> S+ 0 0 43 -3,-1.7 4,-0.5 2,-0.1 -1,-0.2 0.734 115.8 47.9 -91.6 -32.3 24.3 11.9 79.4 109 121 X I H >X S+ 0 0 0 -4,-1.7 4,-1.3 -7,-0.2 3,-0.9 0.907 101.8 57.1 -75.2 -46.4 25.3 15.5 78.7 110 122 X E H 3< S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.3 3,-0.1 0.856 97.6 61.3 -67.2 -37.8 25.4 17.2 82.2 111 123 X P H 34 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.866 109.5 44.4 -45.7 -41.5 28.0 14.8 83.7 112 124 X Y H << S- 0 0 60 -3,-0.9 -2,-0.2 -4,-0.5 -3,-0.1 0.756 95.4-158.3 -77.0 -27.3 30.4 16.0 81.0 113 125 X A < - 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