==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 03-APR-07 2YS6 . COMPND 2 MOLECULE: PHOSPHORIBOSYLGLYCINAMIDE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR S.BABA,M.KANAGAWA,S.KURAMITSU,S.YOKOYAMA,G.KAWAI,G.SAMPEI,RI . 422 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 20.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 1 0.2 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 . 31 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 0 1 1 1 4 2 1 0 1 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 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 PARALLEL BRIDGES PER LADDER . 4 4 0 6 1 0 1 1 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 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 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 A N 0 0 213 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -88.1 27.8 -6.5 6.7 2 -6 A L - 0 0 58 317,-0.0 2,-0.4 1,-0.0 312,-0.1 -0.634 360.0-156.9 -83.2 123.6 26.0 -9.8 6.2 3 -5 A Y + 0 0 168 -2,-0.5 2,-0.3 3,-0.0 -1,-0.0 -0.824 20.7 162.8 -82.9 129.0 24.9 -10.9 2.7 4 -4 A F - 0 0 10 -2,-0.4 2,-0.1 310,-0.0 306,-0.1 -0.945 48.2 -75.7-135.5 167.9 22.0 -13.4 2.3 5 -3 A Q - 0 0 104 -2,-0.3 3,-0.3 1,-0.1 2,-0.1 -0.369 46.6-147.5 -59.1 124.0 19.7 -14.4 -0.6 6 -2 A S S S+ 0 0 71 1,-0.2 25,-0.2 -2,-0.1 26,-0.1 -0.211 73.7 45.6 -82.6 163.8 17.0 -11.8 -1.3 7 -1 A H S S+ 0 0 153 23,-0.4 25,-0.2 1,-0.2 2,-0.2 0.620 76.8 163.6 68.0 45.0 13.5 -12.7 -2.6 8 1 A M E -a 32 0A 7 23,-1.9 25,-3.3 -3,-0.3 26,-0.5 -0.459 38.3-129.9 -99.6 126.4 13.0 -15.5 -0.2 9 2 A N E -ab 34 70A 27 60,-0.5 62,-2.0 24,-0.2 63,-1.7 -0.806 28.0-162.9 -81.4 130.5 9.7 -16.9 0.5 10 3 A V E -ab 35 72A 0 24,-2.8 26,-2.5 -2,-0.4 2,-0.4 -0.937 9.4-162.5-122.4 135.7 9.1 -17.2 4.2 11 4 A L E -ab 36 73A 0 61,-2.7 63,-2.9 -2,-0.4 2,-0.5 -0.977 3.7-161.9-114.1 130.9 6.5 -19.2 6.1 12 5 A V E -ab 37 74A 0 24,-2.6 26,-1.9 -2,-0.4 2,-0.4 -0.949 12.7-143.1-107.2 131.1 5.5 -18.5 9.7 13 6 A I E +ab 38 75A 0 61,-3.2 63,-2.0 -2,-0.5 2,-0.2 -0.780 55.3 49.6 -94.1 129.9 3.7 -21.2 11.7 14 7 A G E -a 39 0A 0 24,-2.4 26,-2.6 -2,-0.4 -2,-0.1 -0.702 62.4-120.5 132.2 176.9 0.9 -20.2 14.1 15 8 A R S S+ 0 0 121 -2,-0.2 29,-0.1 24,-0.2 2,-0.1 0.259 71.9 87.6-140.4 3.4 -2.3 -18.2 14.7 16 9 A G S > S- 0 0 8 350,-0.1 4,-2.4 25,-0.1 349,-0.2 -0.336 88.1 -87.2-113.5-174.0 -1.5 -15.7 17.6 17 10 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.876 122.9 57.2 -64.1 -37.9 -0.2 -12.3 18.5 18 11 A R H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 110.7 44.3 -54.9 -45.9 3.4 -13.6 18.6 19 12 A E H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.862 109.8 54.4 -72.5 -35.2 3.0 -14.8 15.1 20 13 A H H X S+ 0 0 12 -4,-2.4 4,-2.7 344,-0.3 -2,-0.2 0.946 112.6 46.6 -55.3 -44.8 1.4 -11.5 14.1 21 14 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.878 112.1 47.0 -67.2 -47.9 4.5 -9.8 15.5 22 15 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.907 116.3 46.6 -62.5 -37.2 7.0 -12.2 13.8 23 16 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.921 110.3 52.0 -68.8 -44.1 5.1 -11.7 10.4 24 17 A W H < S+ 0 0 54 -4,-2.7 4,-0.4 -5,-0.2 -2,-0.2 0.916 114.6 43.6 -60.5 -45.3 4.9 -7.9 10.7 25 18 A K H >< S+ 0 0 26 -4,-2.0 3,-1.4 1,-0.2 4,-0.3 0.945 112.8 50.6 -63.4 -53.3 8.7 -7.8 11.3 26 19 A A H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 6,-0.2 0.827 102.4 62.0 -43.6 -47.0 9.5 -10.3 8.5 27 20 A A T 3< S+ 0 0 50 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.672 100.1 55.9 -63.4 -16.4 7.4 -8.2 6.0 28 21 A Q T < S+ 0 0 109 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.566 82.1 110.9 -94.0 -7.3 9.7 -5.3 6.6 29 22 A S X - 0 0 6 -3,-1.7 3,-1.7 -4,-0.3 -3,-0.0 -0.514 64.7-145.7 -68.6 126.5 12.8 -7.3 5.6 30 23 A P T 3 S+ 0 0 111 0, 0.0 -23,-0.4 0, 0.0 -1,-0.2 0.676 100.4 64.0 -63.5 -11.4 14.5 -6.2 2.3 31 24 A L T 3 S+ 0 0 21 -25,-0.2 -23,-1.9 -5,-0.1 2,-0.4 0.567 84.0 93.2 -80.6 -14.7 15.2 -10.1 2.0 32 25 A V E < +a 8 0A 26 -3,-1.7 -23,-0.2 -6,-0.2 -25,-0.1 -0.713 37.5 168.0-103.4 140.0 11.7 -11.2 1.8 33 26 A G E S+ 0 0 41 -25,-3.3 2,-0.3 1,-0.5 -24,-0.2 0.853 74.3 10.4-105.4 -65.6 9.7 -11.9 -1.3 34 27 A K E -a 9 0A 109 -26,-0.5 -24,-2.8 -27,-0.1 -1,-0.5 -0.923 64.4-161.7-124.1 145.2 6.6 -13.7 -0.2 35 28 A L E -a 10 0A 16 -2,-0.3 14,-2.4 -26,-0.2 2,-0.3 -0.998 10.3-179.9-135.8 118.3 5.4 -14.2 3.4 36 29 A Y E -ac 11 49A 6 -26,-2.5 -24,-2.6 -2,-0.4 2,-0.3 -0.889 10.6-162.7-117.4 149.4 2.8 -16.8 4.4 37 30 A V E -ac 12 50A 0 12,-2.0 14,-2.3 -2,-0.3 -24,-0.2 -0.988 21.1-129.7-132.3 130.5 1.4 -17.6 7.8 38 31 A A E S-a 13 0A 0 -26,-1.9 -24,-2.4 -2,-0.3 14,-0.1 -0.986 88.5 -15.8-125.7 115.8 -0.4 -21.0 8.4 39 32 A P E S+a 14 0A 23 0, 0.0 -24,-0.2 0, 0.0 -1,-0.2 -0.988 92.1 158.2 -88.3 -11.8 -3.0 -20.7 9.7 40 33 A G - 0 0 10 -26,-2.6 -2,-0.0 10,-0.1 -20,-0.0 -0.178 38.5-109.0 64.8-158.2 -2.7 -17.0 10.9 41 34 A N > - 0 0 14 -25,-0.1 4,-1.3 325,-0.0 3,-0.2 -0.913 35.8 -79.9-162.1 170.5 -5.8 -15.0 11.7 42 35 A P T 4 S+ 0 0 33 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.828 125.7 50.3 -65.0 -25.9 -7.6 -12.1 10.1 43 36 A G T >4 S+ 0 0 0 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.918 107.6 55.3 -72.8 -34.7 -5.3 -9.3 11.5 44 37 A I G >> S+ 0 0 0 -3,-0.2 3,-2.1 1,-0.2 4,-1.0 0.825 92.1 72.4 -57.9 -34.8 -2.2 -11.2 10.3 45 38 A A G 3< S+ 0 0 51 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.669 87.9 66.1 -55.1 -16.8 -3.8 -11.2 6.7 46 39 A D G <4 S+ 0 0 125 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.730 113.9 26.1 -75.0 -26.4 -2.9 -7.5 6.6 47 40 A V T <4 S+ 0 0 40 -3,-2.1 2,-0.3 -4,-0.3 -2,-0.2 0.447 130.3 16.5-113.0 -8.1 0.8 -8.2 6.7 48 41 A A S < S- 0 0 14 -4,-1.0 2,-0.4 -14,-0.0 -12,-0.2 -0.997 78.5 -92.2-160.2 161.1 0.9 -11.7 5.0 49 42 A E E -c 36 0A 107 -14,-2.4 -12,-2.0 -2,-0.3 2,-0.3 -0.699 43.3-133.6 -85.9 128.7 -0.9 -14.3 3.0 50 43 A L E -c 37 0A 39 -2,-0.4 2,-0.4 -14,-0.2 -12,-0.2 -0.607 12.4-155.0 -83.2 148.3 -2.7 -16.8 5.1 51 44 A V - 0 0 10 -14,-2.3 2,-2.3 -2,-0.3 -15,-0.0 -0.986 15.5-136.6-126.6 120.1 -2.5 -20.5 4.5 52 45 A H + 0 0 169 -2,-0.4 2,-0.4 -14,-0.1 -14,-0.1 -0.295 62.9 116.2 -84.4 61.2 -5.3 -22.7 5.7 53 46 A I - 0 0 28 -2,-2.3 -2,-0.1 7,-0.0 5,-0.0 -0.985 67.0-113.3-128.6 130.6 -3.3 -25.6 7.2 54 47 A D > - 0 0 74 -2,-0.4 3,-1.4 1,-0.1 7,-0.2 -0.323 22.2-122.2 -58.0 145.5 -3.2 -26.5 10.8 55 48 A E T 3 S+ 0 0 15 1,-0.3 -1,-0.1 6,-0.0 6,-0.0 0.772 114.6 48.0 -55.1 -37.6 0.1 -26.0 12.8 56 49 A L T 3 S+ 0 0 85 1,-0.1 2,-1.8 2,-0.0 -1,-0.3 0.369 82.5 96.8 -87.0 3.6 0.1 -29.8 13.6 57 50 A D <> + 0 0 81 -3,-1.4 4,-2.1 1,-0.2 3,-0.2 -0.570 50.6 168.6 -93.7 76.0 -0.6 -30.9 10.0 58 51 A I H > + 0 0 17 -2,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.815 67.3 52.6 -67.5 -33.4 3.0 -31.5 9.5 59 52 A E H > S+ 0 0 99 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 110.6 46.8 -70.0 -42.1 2.7 -33.4 6.2 60 53 A A H > S+ 0 0 29 -3,-0.2 4,-4.1 2,-0.2 5,-0.2 0.916 112.8 51.2 -60.9 -42.3 0.5 -30.7 4.6 61 54 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.919 110.4 48.3 -65.4 -40.9 3.0 -28.1 5.8 62 55 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.952 115.4 45.4 -61.2 -45.9 6.0 -30.0 4.3 63 56 A Q H X S+ 0 0 93 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.955 112.6 50.0 -67.5 -45.8 4.0 -30.4 1.1 64 57 A F H X S+ 0 0 29 -4,-4.1 4,-3.2 1,-0.2 -1,-0.2 0.910 112.7 48.7 -50.5 -46.1 3.0 -26.7 1.1 65 58 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 -1,-0.2 0.811 111.0 47.0 -70.4 -37.1 6.6 -25.7 1.7 66 59 A K H ><5S+ 0 0 99 -4,-2.3 3,-0.9 3,-0.2 -1,-0.2 0.972 118.0 44.4 -63.7 -50.5 8.2 -27.8 -1.0 67 60 A Q H 3<5S+ 0 0 134 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.843 115.1 43.6 -66.0 -44.9 5.6 -26.6 -3.5 68 61 A Q T 3<5S- 0 0 86 -4,-3.2 -1,-0.3 -5,-0.2 -3,-0.2 0.378 110.7-121.5 -86.1 11.1 5.6 -22.9 -2.7 69 62 A A T < 5 - 0 0 57 -3,-0.9 -60,-0.5 -4,-0.2 2,-0.4 0.929 35.3-163.2 58.9 49.3 9.4 -23.0 -2.6 70 63 A I E < -b 9 0A 11 -5,-2.5 25,-0.4 1,-0.2 -1,-0.2 -0.510 16.6-172.7 -69.9 121.3 9.8 -21.8 1.0 71 64 A D E S+ 0 0 64 -62,-2.0 2,-0.3 -2,-0.4 -61,-0.2 0.788 73.8 20.9 -81.4 -31.6 13.3 -20.7 1.8 72 65 A L E -b 10 0A 0 -63,-1.7 -61,-2.7 22,-0.1 2,-0.5 -0.966 60.1-166.8-143.5 122.5 12.7 -20.1 5.6 73 66 A T E -bd 11 96A 1 22,-1.7 24,-2.7 -2,-0.3 2,-0.4 -0.944 7.8-166.9-102.3 130.1 10.1 -21.5 7.9 74 67 A I E -bd 12 97A 3 -63,-2.9 -61,-3.2 -2,-0.5 2,-0.6 -0.981 12.9-145.5-114.8 127.7 9.8 -19.9 11.4 75 68 A V E -b 13 0A 8 22,-1.4 -61,-0.1 -2,-0.4 -63,-0.1 -0.816 14.3-173.8 -97.4 123.0 7.7 -21.8 14.0 76 69 A G + 0 0 0 -63,-2.0 216,-0.3 -2,-0.6 -62,-0.2 0.970 59.2 41.5 -75.2 -64.3 5.7 -19.9 16.4 77 70 A P S > S- 0 0 22 0, 0.0 4,-0.6 0, 0.0 216,-0.0 -0.437 75.5-121.2 -87.4 165.7 4.0 -22.1 19.1 78 71 A E H > S+ 0 0 33 1,-0.1 4,-2.5 2,-0.1 5,-0.2 0.782 95.3 73.6 -76.8 -32.0 5.5 -25.1 20.9 79 72 A A H > S+ 0 0 47 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.914 97.1 51.0 -54.6 -47.7 3.1 -28.0 19.9 80 73 A P H 4>S+ 0 0 2 0, 0.0 5,-2.2 0, 0.0 -1,-0.2 0.887 113.2 47.2 -52.9 -41.5 4.5 -28.3 16.2 81 74 A L H ><5S+ 0 0 1 -4,-0.6 3,-1.8 1,-0.2 -2,-0.2 0.931 110.1 50.6 -66.5 -46.2 8.0 -28.4 17.7 82 75 A A H 3<5S+ 0 0 42 -4,-2.5 -1,-0.2 1,-0.3 -3,-0.2 0.759 109.9 54.9 -61.3 -26.3 7.0 -31.1 20.3 83 76 A S T 3<5S- 0 0 64 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.404 122.1-104.6 -88.6 -3.6 5.5 -33.0 17.4 84 77 A G T <>5 + 0 0 5 -3,-1.8 4,-2.5 -4,-0.2 5,-0.2 0.747 67.2 146.0 93.8 25.3 8.7 -33.0 15.3 85 78 A I H > S+ 0 0 3 13,-0.4 4,-2.8 -6,-0.2 5,-0.2 0.978 109.8 47.2 -68.6 -51.4 11.8 -29.5 12.6 87 80 A D H > S+ 0 0 61 2,-0.2 4,-2.1 -6,-0.2 -2,-0.2 0.902 115.2 46.9 -46.2 -55.5 12.9 -33.2 12.2 88 81 A R H X S+ 0 0 77 -4,-2.5 4,-1.8 1,-0.2 6,-0.2 0.962 113.7 47.7 -55.4 -54.1 10.3 -33.6 9.3 89 82 A F H <>S+ 0 0 0 -4,-3.0 5,-3.3 -5,-0.2 -2,-0.2 0.882 112.1 48.7 -54.1 -45.6 11.4 -30.4 7.6 90 83 A M H ><5S+ 0 0 105 -4,-2.8 3,-1.4 3,-0.2 -1,-0.2 0.909 109.8 51.7 -63.4 -42.8 15.2 -31.1 7.9 91 84 A A H 3<5S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.796 110.7 49.7 -63.3 -32.3 14.7 -34.6 6.5 92 85 A E T 3<5S- 0 0 57 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.433 120.4-111.5 -83.1 0.5 12.8 -33.1 3.6 93 86 A G T < 5 + 0 0 64 -3,-1.4 2,-0.5 1,-0.3 -3,-0.2 0.627 68.8 145.0 76.8 14.0 15.6 -30.6 3.0 94 87 A L < - 0 0 20 -5,-3.3 2,-0.3 -6,-0.2 -1,-0.3 -0.747 51.1-124.6 -90.9 129.1 13.5 -27.6 4.2 95 88 A R + 0 0 91 -2,-0.5 -22,-1.7 -25,-0.4 2,-0.3 -0.580 40.2 170.8 -73.3 132.0 15.3 -24.8 6.1 96 89 A I E -d 73 0A 4 -2,-0.3 2,-0.8 -24,-0.2 -22,-0.2 -1.000 32.4-142.2-150.4 139.0 13.6 -24.1 9.5 97 90 A F E +d 74 0A 4 -24,-2.7 -22,-1.4 -2,-0.3 174,-0.1 -0.888 65.3 73.9-108.0 109.3 14.2 -22.2 12.5 98 91 A G S S- 0 0 5 -2,-0.8 2,-0.2 -24,-0.1 172,-0.2 -0.855 79.0 -74.3 162.5 160.2 13.2 -24.0 15.6 99 92 A P - 0 0 1 0, 0.0 -13,-0.4 0, 0.0 -12,-0.2 -0.572 42.2-107.3 -80.5 147.8 14.4 -27.0 17.8 100 93 A S > - 0 0 25 167,-0.4 4,-2.9 -2,-0.2 5,-0.2 -0.056 39.9-102.2 -42.4 150.8 14.2 -30.7 17.1 101 94 A Q H > S+ 0 0 101 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.930 125.4 52.3 -47.8 -50.7 11.7 -32.7 19.0 102 95 A R H 4 S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.808 114.4 41.1 -57.6 -36.6 14.6 -33.9 21.3 103 96 A A H >4 S+ 0 0 0 164,-0.2 3,-1.8 -3,-0.2 -1,-0.2 0.818 107.4 62.2 -78.1 -36.0 15.9 -30.3 22.0 104 97 A A H >X S+ 0 0 1 -4,-2.9 3,-1.8 1,-0.3 4,-1.8 0.679 80.6 85.6 -70.7 -12.5 12.3 -29.0 22.4 105 98 A L H 3X + 0 0 57 -4,-0.8 4,-2.4 1,-0.3 -1,-0.3 0.733 68.6 78.9 -55.9 -25.5 12.0 -31.4 25.3 106 99 A I H <4 S+ 0 0 3 -3,-1.8 182,-0.5 1,-0.2 -1,-0.3 0.848 108.8 27.3 -52.3 -35.9 13.5 -28.6 27.4 107 100 A E H <4 S+ 0 0 41 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.2 0.879 117.4 58.4 -90.2 -45.8 10.0 -27.0 27.4 108 101 A G H < S+ 0 0 54 -4,-1.8 2,-0.6 1,-0.2 -2,-0.2 0.796 110.2 41.1 -54.9 -37.0 7.8 -30.1 27.0 109 102 A S X - 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