==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-AUG-04 1U9Z . COMPND 2 MOLECULE: RIBOSE-PHOSPHATE PYROPHOSPHOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR A.KADZIOLA,E.JOHANSSON,C.H.JEPSEN,J.MCGUIRE,S.LARSEN,B.HOVE- . 1096 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 822 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 192 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 3.6 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 97 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 4 0 0 4 4 4 4 8 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 20 4 4 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 . 8 0 0 0 4 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 4 0 4 4 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 A M 0 0 77 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 148.5 -18.8 19.5 32.1 2 2 A I E -a 50 0A 19 47,-1.5 49,-2.8 20,-0.1 2,-0.6 -0.887 360.0-131.3-116.9 150.5 -19.9 23.1 32.0 3 3 A V E -ab 51 24A 1 20,-0.6 22,-1.5 -2,-0.3 2,-0.5 -0.908 17.6-160.4-106.5 125.5 -17.7 26.1 31.2 4 4 A V E -ab 52 25A 0 47,-3.5 49,-2.5 -2,-0.6 2,-0.4 -0.897 13.1-136.2-106.6 126.5 -17.7 29.0 33.6 5 5 A S E -a 53 0A 6 20,-0.6 49,-0.2 -2,-0.5 2,-0.2 -0.658 11.1-151.3 -82.4 131.3 -16.5 32.4 32.3 6 6 A G > - 0 0 2 47,-2.2 3,-0.5 -2,-0.4 7,-0.1 -0.458 31.6-109.0 -86.2 171.6 -14.2 34.3 34.7 7 7 A S G > S+ 0 0 17 1,-0.2 3,-0.6 -2,-0.2 -1,-0.1 0.861 115.7 49.9 -73.1 -31.1 -14.5 38.1 34.2 8 8 A Q G 3 S+ 0 0 30 47,-0.2 -1,-0.2 1,-0.2 251,-0.2 0.450 114.9 39.4 -87.9 -0.6 -11.0 38.3 32.7 9 9 A S G <> + 0 0 2 -3,-0.5 4,-2.6 44,-0.3 5,-0.2 -0.130 66.3 137.0-139.4 40.4 -11.3 35.6 30.0 10 10 A Q H <> S+ 0 0 10 -3,-0.6 4,-1.1 1,-0.2 -2,-0.1 0.835 78.4 41.5 -59.7 -36.1 -14.9 35.9 28.7 11 11 A N H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.811 114.2 50.5 -83.1 -29.9 -13.9 35.5 25.1 12 12 A L H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.898 109.3 52.3 -71.4 -39.6 -11.5 32.7 25.6 13 13 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.891 109.9 49.9 -61.5 -39.9 -14.0 30.8 27.7 14 14 A F H X S+ 0 0 29 -4,-1.1 4,-1.7 -5,-0.2 -1,-0.2 0.931 110.9 47.9 -64.0 -48.4 -16.5 31.2 24.8 15 15 A K H X S+ 0 0 66 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.898 114.3 47.7 -60.4 -42.2 -14.0 29.9 22.2 16 16 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.934 111.7 48.2 -65.6 -46.9 -13.2 27.0 24.5 17 17 A A H <>S+ 0 0 1 -4,-2.8 5,-3.0 1,-0.2 -1,-0.2 0.765 110.6 54.2 -64.8 -24.9 -16.8 26.1 25.2 18 18 A K H ><5S+ 0 0 100 -4,-1.7 3,-1.6 3,-0.2 -1,-0.2 0.928 108.8 46.5 -73.6 -47.4 -17.4 26.4 21.4 19 19 A L H 3<5S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.883 112.3 51.4 -61.5 -38.7 -14.7 23.9 20.7 20 20 A L T 3<5S- 0 0 40 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.430 111.5-126.5 -78.8 3.3 -16.1 21.7 23.4 21 21 A N T < 5 + 0 0 148 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.944 66.5 128.8 49.7 54.1 -19.5 22.0 21.7 22 22 A T < - 0 0 54 -5,-3.0 2,-0.4 -6,-0.1 -1,-0.2 -0.906 64.1-108.2-132.9 158.8 -21.1 23.2 25.0 23 23 A K - 0 0 127 -2,-0.3 -20,-0.6 -3,-0.1 2,-0.5 -0.726 39.5-111.2 -89.8 141.4 -23.3 26.2 25.9 24 24 A L E -b 3 0A 9 -2,-0.4 2,-0.6 1049,-0.2 -20,-0.1 -0.613 29.7-123.3 -76.0 120.2 -21.5 28.8 28.0 25 25 A T E -b 4 0A 11 -22,-1.5 -20,-0.6 -2,-0.5 2,-0.1 -0.523 29.5-118.9 -66.2 112.7 -23.0 28.9 31.5 26 26 A R - 0 0 33 -2,-0.6 16,-1.4 -22,-0.1 17,-1.3 -0.326 36.0-172.8 -56.0 121.9 -24.2 32.5 32.0 27 27 A V E -F 41 0B 7 14,-0.2 2,-0.3 15,-0.2 14,-0.2 -0.976 15.5-140.6-126.1 122.6 -22.3 34.0 34.9 28 28 A E E +F 40 0B 51 12,-2.9 12,-1.9 -2,-0.5 2,-0.4 -0.624 23.7 175.7 -83.3 133.6 -23.1 37.4 36.4 29 29 A Y E +F 39 0B 30 -2,-0.3 1038,-0.6 10,-0.2 2,-0.3 -0.996 11.0 142.2-139.9 132.3 -20.2 39.6 37.5 30 30 A K E -F 38 0B 95 8,-1.8 8,-2.2 -2,-0.4 2,-0.4 -0.954 41.2-115.4-158.4 171.5 -20.4 43.1 38.9 31 31 A R E -F 37 0B 67 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.954 25.8-130.8-118.0 134.2 -18.8 45.4 41.4 32 32 A F > - 0 0 60 4,-2.3 3,-2.5 -2,-0.4 6,-0.0 -0.269 42.2 -90.8 -72.7 171.5 -20.6 46.9 44.3 33 33 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.872 131.0 51.6 -51.3 -38.5 -20.3 50.6 44.9 34 34 A D T 3 S- 0 0 18 479,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.475 123.4-106.7 -78.8 -1.5 -17.3 50.1 47.2 35 35 A N < + 0 0 84 -3,-2.5 -1,-0.1 1,-0.3 2,-0.0 0.432 67.6 148.7 91.9 3.8 -15.7 47.9 44.4 36 36 A E - 0 0 10 1,-0.1 -4,-2.3 -5,-0.1 -1,-0.3 -0.360 51.4-105.2 -68.0 150.1 -16.1 44.5 46.0 37 37 A I E -F 31 0B 0 -6,-0.2 2,-0.4 -8,-0.0 -6,-0.2 -0.542 31.8-166.4 -81.0 142.3 -16.6 41.6 43.6 38 38 A Y E +F 30 0B 15 -8,-2.2 -8,-1.8 -2,-0.2 2,-0.4 -0.980 8.2 177.2-131.2 119.4 -20.0 40.0 43.0 39 39 A V E +F 29 0B 5 -2,-0.4 339,-1.0 -10,-0.2 2,-0.3 -0.936 2.4 172.5-123.2 146.4 -20.5 36.7 41.3 40 40 A R E -FG 28 377B 49 -12,-1.9 -12,-2.9 -2,-0.4 2,-0.9 -0.955 31.7-130.5-152.8 130.6 -23.7 34.8 40.7 41 41 A I E -F 27 0B 3 335,-1.9 -14,-0.2 -2,-0.3 4,-0.1 -0.744 26.5-177.6 -83.7 107.9 -24.3 31.7 38.6 42 42 A V + 0 0 50 -16,-1.4 -1,-0.2 -2,-0.9 -15,-0.2 0.951 58.9 63.0 -73.3 -50.7 -27.4 32.7 36.6 43 43 A D S S- 0 0 47 -17,-1.3 2,-0.3 1,-0.1 -18,-0.0 -0.259 94.5 -97.0 -74.4 163.6 -28.0 29.4 34.7 44 44 A E - 0 0 164 1,-0.0 2,-0.7 -2,-0.0 -1,-0.1 -0.631 29.3-146.8 -83.5 136.9 -28.9 26.1 36.3 45 45 A I + 0 0 14 -2,-0.3 33,-0.3 1,-0.2 -1,-0.0 -0.803 34.2 153.2-111.0 93.6 -26.1 23.7 36.9 46 46 A N + 0 0 148 -2,-0.7 -1,-0.2 31,-0.1 32,-0.1 0.942 57.6 79.9 -78.6 -53.6 -27.3 20.0 36.6 47 47 A D S S- 0 0 59 1,-0.1 31,-0.5 2,-0.1 3,-0.0 -0.132 72.6-147.3 -51.3 150.0 -23.9 18.6 35.6 48 48 A D S S+ 0 0 82 29,-0.1 31,-1.9 30,-0.1 32,-1.8 0.093 74.8 74.2-112.9 22.9 -21.5 18.2 38.6 49 49 A E E - c 0 80A 56 29,-0.2 -47,-1.5 30,-0.2 2,-0.3 -0.950 61.5-176.8-137.7 114.3 -18.2 18.9 36.9 50 50 A A E -ac 2 81A 0 30,-2.4 32,-2.6 -2,-0.4 2,-0.5 -0.837 18.2-150.8-116.6 152.0 -17.3 22.5 36.1 51 51 A V E -ac 3 82A 1 -49,-2.8 -47,-3.5 -2,-0.3 2,-0.6 -0.979 11.8-158.0-121.2 118.1 -14.4 24.2 34.3 52 52 A I E -ac 4 83A 0 30,-3.0 32,-4.3 -2,-0.5 2,-0.6 -0.858 5.4-169.2 -98.7 123.4 -13.5 27.8 35.3 53 53 A I E +ac 5 84A 0 -49,-2.5 -47,-2.2 -2,-0.6 -44,-0.3 -0.913 27.4 139.3-115.7 105.3 -11.6 29.8 32.7 54 54 A N - 0 0 0 30,-2.4 -47,-0.1 -2,-0.6 -2,-0.1 -0.846 34.8-152.4-149.8 106.5 -10.3 33.0 34.2 55 55 A T - 0 0 5 -2,-0.3 2,-0.4 30,-0.2 3,-0.3 -0.310 19.0-126.5 -73.6 162.8 -6.8 34.4 33.4 56 56 A Q + 0 0 0 31,-1.6 3,-0.4 201,-0.2 -1,-0.1 -0.445 57.0 133.7-116.7 64.6 -5.0 36.6 35.9 57 57 A K S S+ 0 0 56 -2,-0.4 2,-1.2 1,-0.3 -1,-0.2 0.878 85.6 47.4 -72.6 -39.8 -4.0 39.9 34.3 58 58 A N S > S- 0 0 83 -3,-0.3 4,-2.7 1,-0.2 -1,-0.3 -0.754 91.1-164.7-100.9 81.3 -5.4 41.7 37.4 59 59 A Q H > S+ 0 0 4 -2,-1.2 4,-2.1 -3,-0.4 -1,-0.2 0.841 76.4 36.1 -32.0 -73.0 -3.7 39.3 39.7 60 60 A N H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.889 116.1 52.7 -59.8 -41.4 -5.5 40.0 43.0 61 61 A D H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 110.4 49.7 -60.4 -42.4 -8.9 40.5 41.5 62 62 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.888 109.5 51.4 -62.9 -40.8 -8.7 37.2 39.6 63 63 A I H X S+ 0 0 2 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.944 114.2 41.3 -63.4 -49.1 -7.6 35.3 42.8 64 64 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.888 113.2 53.4 -67.4 -38.9 -10.5 36.6 44.9 65 65 A E H X S+ 0 0 2 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.846 109.6 49.6 -63.4 -34.0 -13.1 36.2 42.1 66 66 A T H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.927 107.4 54.1 -70.3 -44.2 -12.0 32.6 41.7 67 67 A I H X S+ 0 0 5 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.872 112.9 44.1 -57.0 -38.1 -12.3 32.0 45.4 68 68 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.871 109.4 54.2 -76.8 -37.7 -15.9 33.3 45.2 69 69 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.888 107.4 52.1 -63.0 -38.8 -16.9 31.4 42.0 70 70 A C H X S+ 0 0 5 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.930 106.9 52.4 -62.0 -47.3 -15.8 28.1 43.6 71 71 A D H X S+ 0 0 11 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.878 111.4 47.6 -56.8 -38.9 -17.9 28.8 46.7 72 72 A A H < S+ 0 0 1 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.819 112.8 48.3 -73.7 -31.7 -20.9 29.4 44.4 73 73 A L H >< S+ 0 0 0 -4,-1.9 3,-1.6 2,-0.2 -2,-0.2 0.886 110.2 48.9 -76.8 -41.3 -20.3 26.2 42.4 74 74 A R H >< S+ 0 0 85 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.943 108.2 57.0 -60.3 -43.8 -19.8 23.8 45.3 75 75 A D T 3< S+ 0 0 59 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.397 106.4 51.3 -65.9 2.5 -23.0 25.3 46.7 76 76 A E T < S- 0 0 51 -3,-1.6 2,-0.7 2,-0.1 -1,-0.3 0.230 124.4 -98.8-123.6 6.4 -24.7 24.3 43.4 77 77 A G < + 0 0 35 -3,-2.3 -29,-0.1 1,-0.2 -1,-0.1 -0.875 66.9 147.6 113.9 -96.9 -23.5 20.7 43.5 78 78 A V - 0 0 1 -2,-0.7 -1,-0.2 -31,-0.5 -29,-0.2 0.780 26.9-167.2 22.7 100.6 -20.5 20.4 41.3 79 79 A K S S+ 0 0 138 -31,-1.9 2,-0.4 1,-0.2 -30,-0.2 0.712 73.4 42.0 -81.6 -24.4 -18.2 17.7 42.7 80 80 A K E -c 49 0A 81 -32,-1.8 -30,-2.4 2,-0.0 2,-0.5 -0.979 62.6-174.9-132.7 124.6 -15.2 18.6 40.6 81 81 A I E -c 50 0A 0 -2,-0.4 36,-2.4 -32,-0.2 37,-1.1 -0.972 6.0-165.0-117.8 123.2 -14.0 22.1 39.6 82 82 A T E -cd 51 118A 5 -32,-2.6 -30,-3.0 -2,-0.5 2,-0.6 -0.945 11.4-149.7-108.9 122.5 -11.1 22.5 37.2 83 83 A L E -cd 52 119A 0 35,-3.0 37,-2.8 -2,-0.5 2,-0.7 -0.844 7.6-165.7 -98.4 117.9 -9.5 26.0 37.1 84 84 A V E +cd 53 120A 0 -32,-4.3 -30,-2.4 -2,-0.6 37,-0.2 -0.890 12.8 171.7-101.8 108.6 -8.0 27.2 33.9 85 85 A A - 0 0 0 35,-2.4 37,-0.4 -2,-0.7 -30,-0.2 -0.768 11.6-170.9-117.9 83.1 -5.8 30.2 34.5 86 86 A P S S+ 0 0 0 0, 0.0 36,-1.9 0, 0.0 2,-0.6 0.885 83.8 33.5 -37.6 -60.3 -4.0 30.9 31.2 87 87 A Y S S- 0 0 11 170,-0.5 -31,-1.6 34,-0.1 2,-0.7 -0.913 84.9-154.7-101.8 118.6 -1.7 33.5 32.8 88 88 A L > - 0 0 9 -2,-0.6 3,-1.0 34,-0.3 37,-0.2 -0.851 13.4-139.1 -99.4 111.1 -1.0 32.4 36.4 89 89 A A T 3 S+ 0 0 0 -2,-0.7 -32,-0.1 1,-0.2 -31,-0.0 -0.119 78.8 23.1 -63.8 160.0 -0.1 35.4 38.6 90 90 A Y T > S+ 0 0 1 1,-0.1 3,-1.3 2,-0.1 15,-0.8 0.545 78.7 127.1 61.5 11.6 2.7 35.3 41.2 91 91 A A T < + 0 0 7 -3,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.675 59.8 70.1 -72.7 -17.2 4.5 32.5 39.4 92 92 A R T 3 S+ 0 0 103 1,-0.2 2,-1.2 33,-0.1 3,-0.3 0.551 77.9 83.4 -76.6 -6.0 7.8 34.4 39.3 93 93 A Q < + 0 0 12 -3,-1.3 12,-0.6 1,-0.2 13,-0.4 -0.516 52.4 149.6 -94.4 66.6 8.0 34.0 43.1 94 94 A D - 0 0 4 -2,-1.2 2,-0.2 11,-0.1 -1,-0.2 0.925 64.7 -12.6 -60.6 -50.3 9.6 30.5 42.8 95 95 A K S S- 0 0 89 -3,-0.3 2,-1.1 7,-0.1 9,-0.2 -0.744 88.1 -65.7-142.4-175.1 11.7 30.7 46.0 96 96 A K - 0 0 77 -2,-0.2 7,-0.1 1,-0.2 -3,-0.0 -0.735 40.3-179.6 -84.3 102.2 13.0 33.0 48.7 97 97 A F S S+ 0 0 104 -2,-1.1 -1,-0.2 1,-0.1 6,-0.0 0.472 74.3 15.8 -80.5 0.1 15.4 35.3 46.8 98 98 A N S > S- 0 0 77 -3,-0.0 3,-1.6 3,-0.0 2,-0.3 -0.973 97.7 -83.3-164.4 154.7 16.1 37.0 50.2 99 99 A P T 3 S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 253,-0.1 -0.495 115.1 21.7 -68.8 129.3 15.6 36.2 53.9 100 100 A G T 3 S+ 0 0 0 1,-0.3 217,-2.5 -2,-0.3 218,-0.1 0.249 91.2 130.6 100.1 -12.3 12.1 37.2 55.0 101 101 A E B < -H 316 0C 9 -3,-1.6 2,-0.4 215,-0.3 -1,-0.3 -0.324 55.8-123.9 -72.3 158.3 10.6 37.1 51.5 102 102 A A - 0 0 1 213,-1.2 2,-1.7 -3,-0.1 213,-0.2 -0.871 10.7-130.9-105.3 134.6 7.4 35.2 51.0 103 103 A I >> - 0 0 14 -2,-0.4 4,-1.8 1,-0.2 3,-0.8 -0.644 31.0-172.8 -84.3 87.2 7.1 32.4 48.4 104 104 A S H 3> S+ 0 0 3 -2,-1.7 4,-2.3 1,-0.3 5,-0.3 0.876 75.8 49.6 -48.0 -57.1 3.9 33.8 46.8 105 105 A I H 3> S+ 0 0 0 -15,-0.8 4,-1.6 -12,-0.6 -1,-0.3 0.781 110.1 55.1 -60.6 -24.6 3.1 31.0 44.3 106 106 A R H <> S+ 0 0 42 -3,-0.8 4,-1.8 -13,-0.4 -1,-0.2 0.935 107.6 47.4 -71.9 -47.1 3.5 28.5 47.2 107 107 A A H X S+ 0 0 8 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.902 117.3 42.7 -60.4 -42.9 1.0 30.3 49.4 108 108 A L H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.806 106.0 62.2 -75.2 -29.0 -1.5 30.6 46.6 109 109 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 25,-0.3 0.919 101.9 53.9 -61.1 -39.7 -0.8 27.0 45.5 110 110 A K H X S+ 0 0 106 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.876 110.2 46.1 -60.6 -39.2 -2.1 25.9 48.9 111 111 A I H >X S+ 0 0 12 -4,-1.0 3,-1.0 2,-0.2 4,-0.9 0.930 110.6 50.5 -71.5 -45.1 -5.3 27.9 48.4 112 112 A Y H >X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.3 3,-0.7 0.872 106.3 59.3 -59.0 -35.5 -5.9 26.6 44.9 113 113 A S H 3< S+ 0 0 12 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.774 108.5 43.0 -65.6 -27.0 -5.4 23.1 46.3 114 114 A N H << S+ 0 0 106 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.517 121.8 36.8 -97.9 -5.3 -8.2 23.5 48.8 115 115 A I H << S+ 0 0 26 -4,-0.9 2,-0.3 -3,-0.7 -2,-0.2 0.630 116.5 38.6-118.9 -21.4 -10.7 25.1 46.4 116 116 A V < - 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