==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 20-JUL-06 2HS0 . COMPND 2 MOLECULE: PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.E.EALICK,M.MORAR . 580 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23041.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 19.7 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 46 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 3 1 3 0 1 0 2 1 1 1 1 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 PARALLEL BRIDGES PER LADDER . 0 2 2 3 1 5 1 0 3 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 2 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 2 A K > 0 0 115 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -0.5 8.7 -23.7 123.8 2 3 A L H > + 0 0 119 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.893 360.0 50.5 -61.9 -45.0 6.4 -20.8 122.6 3 4 A R H > S+ 0 0 137 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.930 116.5 44.6 -56.9 -42.8 8.0 -18.0 124.5 4 5 A Y H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.827 107.5 59.1 -71.3 -37.7 11.3 -19.2 123.0 5 6 A L H X S+ 0 0 41 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.908 106.1 47.3 -52.9 -42.9 9.8 -19.7 119.5 6 7 A N H X S+ 0 0 85 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.804 112.1 51.4 -73.6 -28.5 8.9 -16.0 119.4 7 8 A I H X S+ 0 0 49 -4,-1.0 4,-2.7 -5,-0.2 -1,-0.2 0.893 111.8 44.6 -66.2 -46.5 12.4 -15.0 120.6 8 9 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.977 114.0 51.7 -66.5 -43.9 14.1 -17.2 118.0 9 10 A K H X>S+ 0 0 42 -4,-2.5 5,-1.3 1,-0.3 4,-1.0 0.815 110.5 48.1 -54.4 -46.6 11.6 -15.7 115.4 10 11 A E H <5S+ 0 0 151 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.851 113.3 48.7 -56.9 -44.0 12.5 -12.2 116.6 11 12 A K H <5S+ 0 0 139 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.865 115.1 42.0 -73.6 -30.2 16.2 -13.1 116.3 12 13 A L H <5S- 0 0 19 -4,-2.6 -1,-0.2 2,-0.3 -2,-0.2 0.634 99.9-134.9 -88.7 -15.2 16.0 -14.6 112.8 13 14 A G T <5S+ 0 0 66 -4,-1.0 2,-0.3 -5,-0.3 -3,-0.2 0.897 80.6 47.1 63.0 41.3 13.7 -11.9 111.5 14 15 A R S - 0 0 66 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.253 37.3-100.8 -62.9 163.5 13.0 -23.1 108.2 18 19 A F H > S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.836 123.0 52.9 -48.0 -46.1 12.3 -26.6 109.1 19 20 A V H >> S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 3,-0.6 0.974 111.1 48.1 -59.4 -54.1 16.1 -27.4 109.6 20 21 A E H 3> S+ 0 0 6 1,-0.3 4,-3.7 2,-0.2 5,-0.3 0.892 106.7 55.8 -48.5 -48.4 16.4 -24.4 112.0 21 22 A L H 3X S+ 0 0 57 -4,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.825 111.6 43.3 -63.5 -35.7 13.4 -25.4 114.0 22 23 A Q H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 3,-1.3 0.989 116.2 41.0 -56.8 -57.9 18.3 -27.3 115.3 24 25 A F H 3X S+ 0 0 0 -4,-3.7 4,-2.1 1,-0.3 -1,-0.2 0.840 105.2 62.3 -61.3 -37.7 16.7 -25.0 117.9 25 26 A S H 3< S+ 0 0 49 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.749 114.6 37.6 -58.5 -23.1 14.3 -27.6 119.4 26 27 A V H X< S+ 0 0 27 -3,-1.3 3,-1.2 -4,-1.1 6,-0.4 0.868 118.6 44.2 -92.0 -51.0 17.5 -29.5 120.4 27 28 A M H 3< S+ 0 0 9 -4,-2.6 294,-0.2 1,-0.3 -2,-0.2 0.712 118.1 43.2 -70.8 -24.7 19.8 -26.7 121.4 28 29 A W T 3< S+ 0 0 8 -4,-2.1 -1,-0.3 -5,-0.2 -3,-0.1 0.242 85.4 116.8-101.0 6.0 17.2 -24.6 123.4 29 30 A S S <> S- 0 0 41 -3,-1.2 4,-2.3 -5,-0.2 6,-0.3 -0.213 83.5-110.9 -60.3 167.9 15.7 -27.6 125.2 30 31 A E H > S+ 0 0 35 3,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.837 118.3 59.1 -73.4 -25.3 16.2 -27.5 128.9 31 32 A H H 4 S+ 0 0 100 1,-0.2 -1,-0.2 2,-0.2 427,-0.2 0.886 120.9 22.5 -73.2 -38.5 18.6 -30.4 128.5 32 33 A C H 4 S+ 0 0 33 -6,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.696 130.2 47.8 -96.0 -21.7 21.0 -28.7 126.1 33 34 A G H < S- 0 0 6 -4,-2.3 288,-0.3 -7,-0.2 -3,-0.2 0.852 73.2-157.3 -95.1 -38.0 20.0 -25.2 127.2 34 35 A Y >X + 0 0 51 -4,-2.0 4,-2.9 -5,-0.2 3,-1.2 0.733 32.1 159.0 64.8 27.2 20.0 -24.9 131.0 35 36 A S T 34 S+ 0 0 1 -6,-0.3 289,-1.2 1,-0.3 4,-0.3 0.824 72.4 40.0 -53.3 -39.0 17.6 -22.0 130.7 36 37 A H T 34 S+ 0 0 17 287,-0.2 -1,-0.3 1,-0.1 4,-0.2 0.628 125.7 36.2 -86.4 -11.7 16.3 -22.3 134.3 37 38 A T T X> S+ 0 0 1 -3,-1.2 4,-1.4 -7,-0.1 3,-0.5 0.719 86.2 86.0-119.2 -13.7 19.7 -23.2 135.8 38 39 A K H 3X S+ 0 0 43 -4,-2.9 4,-1.9 1,-0.2 -3,-0.1 0.764 91.7 51.5 -62.2 -33.6 22.6 -21.2 134.1 39 40 A K H 34 S+ 0 0 59 -4,-0.3 4,-0.5 285,-0.2 -1,-0.2 0.831 112.4 46.2 -62.3 -38.7 22.3 -18.1 136.3 40 41 A Y H <4 S+ 0 0 8 -3,-0.5 4,-0.4 2,-0.2 -2,-0.2 0.707 110.7 54.3 -72.7 -30.9 22.4 -20.2 139.5 41 42 A I H >< S+ 0 0 55 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.849 101.0 58.2 -72.3 -39.3 25.3 -22.2 138.1 42 43 A R T 3< S+ 0 0 145 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.782 101.3 59.3 -58.0 -23.6 27.3 -18.9 137.5 43 44 A R T 3 S+ 0 0 85 -4,-0.5 -1,-0.2 -5,-0.1 -2,-0.2 0.762 84.5 99.4 -81.4 -25.3 26.9 -18.4 141.2 44 45 A L S < S- 0 0 9 -3,-1.0 2,-0.4 -4,-0.4 399,-0.1 -0.365 82.8-111.8 -58.1 137.2 28.7 -21.6 142.2 45 46 A P - 0 0 42 0, 0.0 408,-3.8 0, 0.0 2,-0.2 -0.582 49.5-165.0 -65.1 126.0 32.3 -21.5 143.3 46 47 A K B -a 453 0A 109 -2,-0.4 2,-0.3 406,-0.3 408,-0.2 -0.622 23.6-168.4-114.2 165.0 34.2 -23.3 140.5 47 48 A T + 0 0 64 406,-1.1 7,-0.7 -2,-0.2 2,-0.2 -0.968 13.3 161.6-147.1 160.2 37.5 -24.9 139.6 48 49 A G E > -F 53 0B 21 -2,-0.3 3,-1.7 5,-0.2 5,-0.3 -0.650 47.8-109.7 179.2 106.6 39.0 -26.2 136.4 49 50 A F E > S-F 52 0B 46 6,-2.4 3,-3.3 3,-0.7 6,-0.1 -0.338 92.8 -18.6 -54.2 133.8 42.7 -26.6 136.3 50 51 A E T 3 S- 0 0 151 1,-0.3 -1,-0.3 7,-0.0 3,-0.1 0.731 137.5 -41.0 38.7 41.5 44.4 -24.0 134.1 51 52 A G T < S+ 0 0 70 -3,-1.7 2,-0.9 1,-0.1 -1,-0.3 0.021 108.2 122.8 100.9 -32.0 41.1 -23.3 132.5 52 53 A N E X -F 49 0B 30 -3,-3.3 3,-1.7 2,-0.0 -3,-0.7 -0.582 51.9-144.1 -83.1 105.7 39.7 -26.8 132.1 53 54 A A E 3 S+F 48 0B 76 -2,-0.9 -5,-0.2 -5,-0.3 402,-0.1 -0.366 86.2 24.8 -56.1 134.0 36.3 -27.5 133.7 54 55 A G T 3 S+ 0 0 1 400,-0.8 12,-2.2 -7,-0.7 2,-0.5 0.364 99.1 105.7 98.2 -2.4 36.0 -31.0 135.2 55 56 A V E < -G 65 0C 3 -3,-1.7 -6,-2.4 10,-0.2 2,-0.6 -0.942 47.9-172.5-111.8 119.5 39.7 -31.4 135.6 56 57 A V E -G 64 0C 12 8,-2.7 8,-2.9 -2,-0.5 2,-0.2 -0.945 23.9-126.3-118.4 121.8 41.1 -31.1 139.0 57 58 A N E -G 63 0C 39 -2,-0.6 6,-0.3 6,-0.3 -7,-0.0 -0.352 26.3-179.6 -60.2 128.6 44.8 -31.1 139.6 58 59 A L S S- 0 0 9 4,-2.4 5,-0.2 -2,-0.2 -1,-0.2 0.864 73.1 -12.3 -98.1 -48.4 45.8 -33.8 142.1 59 60 A D S S- 0 0 50 3,-1.7 4,-0.1 318,-0.0 -2,-0.1 0.130 93.6 -91.2-151.7 33.5 49.5 -33.4 142.4 60 61 A D S S+ 0 0 131 2,-0.3 3,-0.1 1,-0.1 -3,-0.0 0.360 123.2 53.1 61.4 -1.4 51.1 -31.2 139.8 61 62 A Y S S+ 0 0 114 1,-0.4 98,-2.5 97,-0.1 2,-0.3 0.647 111.6 32.5-126.6 -39.1 51.7 -34.0 137.5 62 63 A Y E - H 0 158C 63 96,-0.2 -4,-2.4 97,-0.1 -3,-1.7 -0.892 60.1-165.0-116.9 158.0 48.3 -35.6 137.2 63 64 A S E -GH 57 157C 0 94,-2.6 94,-2.3 -2,-0.3 2,-0.6 -0.911 19.7-126.5-126.5 153.0 44.8 -34.4 137.3 64 65 A V E -GH 56 156C 0 -8,-2.9 -8,-2.7 -2,-0.3 2,-0.5 -0.939 15.4-156.9-104.2 124.2 41.4 -36.2 137.7 65 66 A A E +GH 55 155C 0 90,-2.2 90,-2.5 -2,-0.6 2,-0.3 -0.846 28.6 161.4 -91.0 125.4 38.8 -35.6 135.1 66 67 A F E + H 0 154C 0 -12,-2.2 2,-0.3 -2,-0.5 88,-0.2 -0.999 13.4 159.9-155.5 142.3 35.3 -36.3 136.5 67 68 A K E - H 0 153C 26 86,-1.8 86,-2.6 -2,-0.3 2,-0.4 -0.983 23.1-143.1-158.1 154.1 31.7 -35.6 135.9 68 69 A I E - H 0 152C 0 -2,-0.3 2,-0.3 84,-0.3 84,-0.3 -0.984 20.8-179.5-122.4 144.4 28.2 -37.0 136.8 69 70 A E E - H 0 151C 27 82,-2.5 82,-2.5 -2,-0.4 2,-0.3 -0.943 19.8-126.7-135.8 161.2 25.3 -37.1 134.3 70 71 A S E + H 0 150C 8 -2,-0.3 80,-0.2 80,-0.3 388,-0.1 -0.828 19.2 178.3-110.5 149.1 21.7 -38.2 134.6 71 72 A H > + 0 0 35 78,-3.1 4,-1.1 -2,-0.3 15,-0.1 -0.421 32.8 139.1-133.9 59.5 19.8 -40.6 132.3 72 73 A N H > + 0 0 5 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.993 67.1 40.1 -76.3 -65.4 16.5 -40.7 134.0 73 74 A H H > S+ 0 0 132 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.900 115.3 52.6 -44.0 -53.3 13.8 -40.6 131.4 74 75 A P H > S+ 0 0 41 0, 0.0 4,-2.3 0, 0.0 8,-0.3 0.824 110.3 51.0 -52.9 -38.4 15.7 -43.0 129.0 75 76 A S H < S+ 0 0 1 -4,-1.1 -2,-0.2 -3,-0.4 8,-0.2 0.776 107.2 51.1 -74.9 -31.3 16.0 -45.4 131.9 76 77 A A H < S+ 0 0 46 -4,-1.8 -1,-0.2 -3,-0.4 -3,-0.1 0.935 114.3 43.7 -69.3 -49.0 12.3 -45.3 132.8 77 78 A I H < S+ 0 0 101 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.1 0.935 138.5 7.7 -58.5 -50.0 11.3 -46.1 129.1 78 79 A E X - 0 0 64 -4,-2.3 4,-3.5 -5,-0.2 5,-0.3 -0.708 68.6-168.7-140.5 92.0 14.0 -48.8 128.8 79 80 A P H > S+ 0 0 46 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.828 83.3 41.5 -49.0 -56.7 15.9 -49.7 131.9 80 81 A Y H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.916 124.6 32.5 -61.2 -54.5 18.7 -51.9 130.4 81 82 A N H > S+ 0 0 30 2,-0.2 4,-3.1 3,-0.2 5,-0.3 0.858 117.0 57.5 -71.7 -40.7 19.6 -49.8 127.4 82 83 A G H X S+ 0 0 1 -4,-3.5 4,-1.1 -8,-0.3 -7,-0.2 0.966 114.5 37.3 -51.1 -55.1 18.7 -46.5 129.1 83 84 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.823 117.2 50.7 -70.4 -41.6 21.2 -47.2 131.8 84 85 A A H X S+ 0 0 9 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.886 112.0 48.5 -65.7 -43.9 23.9 -48.9 129.6 85 86 A T H X S+ 0 0 12 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.754 106.4 56.0 -66.4 -28.1 23.7 -46.0 127.2 86 87 A G H X S+ 0 0 0 -4,-1.1 4,-2.2 -5,-0.3 5,-0.2 0.866 106.7 51.2 -76.6 -31.1 24.1 -43.4 130.0 87 88 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.955 110.1 48.5 -60.0 -44.9 27.2 -45.2 131.0 88 89 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.923 112.1 50.8 -65.0 -38.2 28.6 -45.0 127.5 89 90 A G H X S+ 0 0 8 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.959 112.3 43.6 -60.2 -52.2 27.6 -41.2 127.3 90 91 A I H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 5,-0.2 0.898 111.5 54.4 -64.6 -36.1 29.3 -40.2 130.6 91 92 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 3,-0.5 0.964 108.2 50.3 -60.3 -44.0 32.5 -42.3 129.8 92 93 A R H X S+ 0 0 4 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.855 104.7 58.3 -59.9 -39.2 32.8 -40.5 126.5 93 94 A D H < S+ 0 0 28 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.858 110.4 41.9 -61.8 -36.6 32.5 -37.1 128.2 94 95 A V H ><>S+ 0 0 0 -4,-1.5 3,-1.8 -3,-0.5 5,-1.3 0.911 108.9 59.1 -84.8 -39.9 35.5 -37.8 130.4 95 96 A L H ><5S+ 0 0 1 -4,-2.9 3,-2.7 1,-0.2 -1,-0.2 0.893 97.1 62.1 -43.4 -45.8 37.4 -39.3 127.5 96 97 A A T 3<5S+ 0 0 8 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.642 95.4 60.0 -66.0 -12.7 37.1 -36.0 125.6 97 98 A M T < 5S- 0 0 26 -3,-1.8 66,-1.2 -4,-0.3 -1,-0.3 0.432 123.8-107.4 -97.0 2.3 39.0 -34.2 128.4 98 99 A G T < 5S+ 0 0 7 -3,-2.7 2,-0.3 1,-0.3 60,-0.2 0.529 75.3 138.0 90.3 8.9 41.9 -36.6 127.5 99 100 A A < - 0 0 0 -5,-1.3 -1,-0.3 58,-0.1 58,-0.2 -0.678 57.3-125.5 -95.2 136.5 41.5 -38.7 130.6 100 101 A R E -I 156 0C 141 56,-2.0 56,-1.1 -2,-0.3 2,-0.5 -0.715 37.4-115.1 -73.2 119.4 41.7 -42.5 130.6 101 102 A P E +I 155 0C 11 0, 0.0 54,-0.3 0, 0.0 3,-0.1 -0.454 45.8 164.5 -67.1 118.7 38.4 -43.6 132.2 102 103 A T E + 0 0 17 52,-2.5 2,-0.3 -2,-0.5 53,-0.2 0.636 52.8 21.9-105.6 -21.0 39.2 -45.5 135.4 103 104 A A E -I 154 0C 1 51,-1.6 51,-2.0 27,-0.1 2,-0.4 -0.992 51.0-153.1-155.0 142.3 35.9 -45.7 137.5 104 105 A I E -Ij 153 132C 0 27,-2.4 29,-2.6 -2,-0.3 30,-0.7 -0.938 8.1-173.5-113.0 141.8 32.2 -45.7 137.3 105 106 A F E -Ij 152 134C 5 47,-2.2 47,-3.0 -2,-0.4 2,-0.5 -0.997 5.2-165.6-123.7 131.7 29.6 -44.7 140.0 106 107 A D E -Ij 151 135C 5 28,-1.5 30,-2.2 -2,-0.4 2,-0.7 -0.974 3.7-162.5-115.5 120.5 25.9 -45.1 139.6 107 108 A S E -Ij 150 136C 1 43,-3.2 43,-2.0 -2,-0.5 2,-0.3 -0.905 19.6-168.5 -97.1 114.6 23.7 -43.3 142.0 108 109 A L E -Ij 149 137C 0 28,-2.6 30,-2.9 -2,-0.7 2,-0.4 -0.813 20.1-174.7-113.5 143.7 20.2 -45.0 141.7 109 110 A H E +Ij 148 138C 0 39,-2.0 39,-2.5 -2,-0.3 2,-0.3 -0.924 28.2 149.7-136.7 107.0 16.8 -43.9 143.1 110 111 A M E - j 0 139C 0 28,-2.1 30,-2.3 -2,-0.4 34,-0.2 -0.894 57.2-128.2-137.6 152.6 14.1 -46.5 142.5 111 112 A S S S+ 0 0 37 32,-0.5 2,-0.3 -2,-0.3 30,-0.1 0.692 101.8 2.8 -74.9 -15.3 10.9 -47.8 144.1 112 113 A R S S- 0 0 140 31,-0.1 2,-1.2 28,-0.1 -1,-0.1 -0.945 97.1 -78.0-151.0 171.5 12.5 -51.3 143.7 113 114 A I - 0 0 52 -2,-0.3 2,-1.1 -3,-0.1 3,-0.1 -0.645 47.3-154.4 -71.4 99.5 15.8 -52.9 142.6 114 115 A I >> - 0 0 23 -2,-1.2 4,-1.8 1,-0.2 3,-1.0 -0.692 3.7-160.9 -83.2 103.6 15.2 -52.7 138.9 115 116 A D H 3> S+ 0 0 81 -2,-1.1 4,-2.6 1,-0.3 5,-0.3 0.905 85.9 57.9 -50.9 -52.6 17.4 -55.5 137.7 116 117 A G H 3> S+ 0 0 22 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.806 106.7 50.1 -51.2 -34.6 17.6 -54.3 134.1 117 118 A I H <> S+ 0 0 0 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.936 111.8 47.8 -71.4 -40.0 19.0 -51.0 135.3 118 119 A I H X S+ 0 0 2 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.938 116.3 42.0 -61.0 -51.4 21.7 -52.8 137.4 119 120 A E H X S+ 0 0 65 -4,-2.6 4,-3.6 2,-0.2 5,-0.3 0.796 108.4 57.9 -70.8 -35.2 22.8 -55.1 134.7 120 121 A G H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.3 5,-0.2 0.942 112.8 42.8 -58.7 -44.4 22.8 -52.5 131.9 121 122 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.955 119.9 43.4 -61.4 -52.9 25.3 -50.6 134.1 122 123 A A H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.920 114.0 47.8 -59.7 -52.0 27.3 -53.8 135.0 123 124 A D H X S+ 0 0 43 -4,-3.6 4,-2.4 2,-0.2 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