==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-MAY-01 1IK4 . COMPND 2 MOLECULE: METHYLGLYOXAL SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.T.MARKS,T.K.HARRIS,M.A.MASSIAH,A.S.MILDVAN,D.H.T.HARRISON . 910 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 679 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 4.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 76 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.6 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 6 0 0 0 10 2 12 6 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 6 6 6 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 . 0 0 0 0 0 6 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 . 6 0 0 6 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 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 0 128 0, 0.0 145,-0.0 0, 0.0 144,-0.0 0.000 360.0 360.0 360.0 104.0 115.9 -25.8 67.5 2 2 A E - 0 0 59 140,-0.1 140,-2.1 139,-0.1 2,-0.3 -0.212 360.0-149.0 -54.0 141.1 117.7 -23.8 70.2 3 3 A L E -A 141 0A 84 138,-0.2 2,-0.2 142,-0.1 -1,-0.1 -0.794 17.4-179.7-114.9 159.0 115.3 -22.6 72.9 4 4 A T E -A 140 0A 58 136,-2.8 136,-2.7 -2,-0.3 2,-0.3 -0.768 24.4-106.9-140.3-175.5 115.2 -19.6 75.2 5 5 A T E -A 139 0A 81 134,-0.2 2,-0.3 -2,-0.2 134,-0.2 -0.868 20.8-174.1-125.2 158.6 112.9 -18.3 77.9 6 6 A R E -A 138 0A 46 132,-2.1 132,-2.7 -2,-0.3 2,-0.5 -0.977 23.8-127.4-143.7 147.4 110.4 -15.5 78.3 7 7 A T E -A 137 0A 71 -2,-0.3 130,-0.2 130,-0.2 128,-0.1 -0.889 10.9-143.2-106.5 124.4 108.6 -14.5 81.5 8 8 A L E -A 136 0A 0 128,-3.8 128,-1.5 -2,-0.5 4,-0.1 -0.709 32.2-119.4 -80.3 126.5 104.8 -14.2 81.6 9 9 A P - 0 0 45 0, 0.0 127,-0.2 0, 0.0 125,-0.1 -0.205 14.4-116.4 -65.1 159.1 103.9 -11.3 83.8 10 10 A A S S+ 0 0 49 1,-0.2 2,-0.9 125,-0.1 -2,-0.0 0.897 113.7 57.5 -61.0 -41.2 101.9 -11.7 87.0 11 11 A R S S- 0 0 151 29,-0.1 2,-0.2 2,-0.0 -1,-0.2 -0.843 94.8-149.6 -91.2 109.5 99.3 -9.5 85.3 12 12 A K - 0 0 0 -2,-0.9 29,-2.5 120,-0.2 2,-0.8 -0.494 14.9-130.7 -86.3 153.0 98.6 -11.4 82.2 13 13 A H E -b 41 0B 54 27,-0.2 71,-2.8 -2,-0.2 72,-1.8 -0.899 35.9-165.0 -99.8 107.2 97.5 -10.2 78.7 14 14 A I E -bc 42 85B 2 27,-3.2 29,-2.9 -2,-0.8 2,-0.5 -0.839 14.2-152.6-104.9 130.3 94.5 -12.4 77.9 15 15 A A E -bc 43 86B 0 70,-3.0 72,-2.8 -2,-0.5 2,-0.5 -0.845 9.9-161.9 -98.9 131.7 92.9 -12.9 74.5 16 16 A L E +bc 44 87B 0 27,-2.6 29,-1.1 -2,-0.5 2,-0.4 -0.955 17.6 165.4-117.6 115.6 89.2 -13.8 74.6 17 17 A V E + c 0 88B 2 70,-3.0 72,-2.8 -2,-0.5 2,-0.3 -0.990 5.0 170.4-132.8 137.5 87.8 -15.3 71.4 18 18 A A E - c 0 89B 3 -2,-0.4 72,-0.2 70,-0.2 2,-0.2 -0.992 28.9-128.9-149.0 139.1 84.6 -17.2 70.7 19 19 A H >> - 0 0 17 70,-2.4 3,-2.6 -2,-0.3 4,-0.8 -0.545 45.1 -98.3 -81.0 152.2 82.7 -18.4 67.7 20 20 A D G >4 S+ 0 0 82 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.794 122.3 49.7 -39.1 -48.3 79.0 -17.5 67.6 21 21 A H G 34 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.685 115.3 45.2 -71.6 -13.6 77.6 -20.7 69.0 22 22 A C G <> S+ 0 0 8 -3,-2.6 4,-2.3 67,-0.2 -1,-0.2 0.416 85.2 94.6-106.1 -0.4 80.1 -20.6 71.9 23 23 A K H S+ 0 0 71 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.914 109.8 51.1 -58.5 -41.9 77.1 -17.6 75.5 25 25 A M H > S+ 0 0 79 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 112.0 44.8 -61.0 -48.7 79.5 -20.1 77.1 26 26 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.883 111.2 55.1 -63.4 -38.8 82.4 -17.7 77.1 27 27 A M H X S+ 0 0 31 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.947 109.8 45.3 -57.9 -52.1 80.1 -14.9 78.4 28 28 A S H X S+ 0 0 58 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.914 113.0 51.0 -58.4 -45.9 79.0 -17.1 81.4 29 29 A W H X S+ 0 0 4 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.908 111.2 47.9 -60.2 -42.5 82.6 -18.1 82.1 30 30 A V H < S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.2 7,-0.2 0.914 112.6 48.5 -65.6 -43.0 83.8 -14.5 82.0 31 31 A E H >< S+ 0 0 95 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.884 109.1 52.7 -64.8 -39.6 81.0 -13.4 84.3 32 32 A R H 3< S+ 0 0 135 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.746 120.7 33.6 -68.6 -24.0 81.7 -16.2 86.8 33 33 A H T >X S+ 0 0 28 -4,-1.1 4,-2.6 -3,-0.3 3,-0.8 0.154 81.3 120.3-117.3 18.0 85.3 -15.2 87.0 34 34 A Q H <> + 0 0 39 -3,-0.9 4,-2.4 1,-0.2 5,-0.1 0.874 69.2 58.9 -49.4 -47.7 85.0 -11.5 86.5 35 35 A P H 34 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.876 114.6 37.4 -52.0 -40.1 86.6 -10.6 89.9 36 36 A L H X4 S+ 0 0 38 -3,-0.8 3,-1.5 1,-0.2 -2,-0.2 0.883 114.0 53.6 -80.0 -41.4 89.8 -12.4 88.8 37 37 A L H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 -3,-0.2 0.807 96.2 71.0 -64.4 -27.7 89.7 -11.3 85.2 38 38 A E T 3< S+ 0 0 111 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.678 91.2 57.7 -64.3 -17.5 89.4 -7.7 86.2 39 39 A Q T < S+ 0 0 105 -3,-1.5 -1,-0.3 -4,-0.2 2,-0.2 0.308 103.0 63.3 -97.3 11.7 93.0 -7.7 87.5 40 40 A H S < S- 0 0 9 -3,-1.8 2,-0.6 -29,-0.1 -27,-0.2 -0.756 92.4 -95.6-124.4 173.6 94.5 -8.7 84.1 41 41 A V E -b 13 0B 23 -29,-2.5 -27,-3.2 -2,-0.2 2,-0.4 -0.831 38.9-151.3 -96.3 121.3 94.5 -7.1 80.7 42 42 A L E +bd 14 60B 5 17,-0.6 19,-2.9 -2,-0.6 2,-0.3 -0.772 18.9 171.6-100.7 135.1 91.8 -8.2 78.3 43 43 A Y E +bd 15 61B 47 -29,-2.9 -27,-2.6 -2,-0.4 2,-0.3 -0.915 9.7 165.6-130.0 154.5 91.9 -8.4 74.5 44 44 A A E -bd 16 62B 0 17,-2.0 19,-2.9 -2,-0.3 -27,-0.2 -0.981 39.3 -90.4-162.7 167.1 89.3 -9.9 72.2 45 45 A T > - 0 0 6 -29,-1.1 4,-3.2 -2,-0.3 5,-0.3 -0.432 59.2 -88.2 -79.1 163.8 88.1 -10.2 68.6 46 46 A G H > S+ 0 0 0 18,-1.6 4,-2.0 1,-0.2 5,-0.2 0.854 118.8 30.9 -37.9 -68.8 85.5 -7.6 67.5 47 47 A T H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.934 122.7 47.8 -65.5 -46.9 82.2 -9.1 68.3 48 48 A T H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.961 112.4 49.6 -58.1 -53.5 83.3 -11.1 71.3 49 49 A G H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 5,-0.2 0.883 112.5 47.0 -54.0 -43.3 85.1 -8.2 72.8 50 50 A N H X S+ 0 0 57 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.882 111.3 50.3 -69.1 -38.6 82.2 -5.8 72.4 51 51 A L H X S+ 0 0 60 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.893 111.2 50.4 -66.8 -37.8 79.7 -8.3 73.8 52 52 A I H >X S+ 0 0 1 -4,-2.4 4,-3.0 -5,-0.2 3,-0.6 0.960 114.1 41.1 -65.7 -52.2 81.9 -8.8 76.9 53 53 A S H 3X S+ 0 0 37 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.846 112.8 55.5 -66.6 -31.9 82.4 -5.2 77.8 54 54 A R H 3< S+ 0 0 88 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.747 118.4 34.8 -71.6 -21.3 78.8 -4.3 77.0 55 55 A A H << S+ 0 0 60 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.771 130.2 28.2-102.2 -32.8 77.7 -7.0 79.5 56 56 A T H < S- 0 0 20 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.593 90.1-131.3-105.2 -15.0 80.3 -6.9 82.2 57 57 A G < + 0 0 70 -4,-1.6 -4,-0.2 -5,-0.4 -3,-0.1 0.456 60.7 142.7 77.0 -2.9 81.4 -3.3 82.0 58 58 A M - 0 0 10 -6,-0.4 2,-0.7 1,-0.1 -1,-0.3 -0.296 60.2-105.7 -68.4 156.6 85.0 -4.6 81.9 59 59 A N - 0 0 130 -3,-0.1 -17,-0.6 -21,-0.1 2,-0.5 -0.765 43.0-179.6 -89.7 115.0 87.5 -2.9 79.7 60 60 A V E -d 42 0B 15 -2,-0.7 2,-1.4 -11,-0.1 -17,-0.2 -0.957 28.8-138.8-120.7 128.0 88.3 -5.0 76.6 61 61 A N E -d 43 0B 65 -19,-2.9 -17,-2.0 -2,-0.5 2,-0.4 -0.685 32.3-160.4 -81.2 94.5 90.8 -4.1 73.9 62 62 A A E -d 44 0B 44 -2,-1.4 -17,-0.2 -19,-0.2 -16,-0.1 -0.656 9.9-171.3 -84.9 129.8 88.7 -5.3 70.9 63 63 A M - 0 0 51 -19,-2.9 7,-0.1 -2,-0.4 3,-0.1 -0.152 43.9 -53.1 -97.2-162.9 90.3 -6.0 67.6 64 64 A L S S- 0 0 27 -19,-0.2 -18,-1.6 1,-0.1 -1,-0.3 -0.276 70.5 -82.9 -71.9 162.1 88.7 -6.7 64.3 65 65 A S > > - 0 0 2 -20,-0.3 5,-2.9 -19,-0.2 3,-1.0 -0.317 45.3-110.9 -61.0 148.7 86.0 -9.4 63.9 66 66 A G G > >S+ 0 0 7 4,-0.3 3,-1.5 1,-0.3 5,-0.9 0.906 116.7 47.5 -49.4 -53.4 87.6 -12.8 63.4 67 67 A P G 3 5S+ 0 0 23 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.697 110.3 54.5 -63.4 -21.3 86.5 -13.3 59.8 68 68 A M G < 5S- 0 0 1 -3,-1.0 -2,-0.2 807,-0.0 -3,-0.1 0.356 138.5 -73.8 -95.7 4.6 87.7 -9.7 58.9 69 69 A G T <>5S+ 0 0 0 -3,-1.5 4,-1.6 -4,-0.3 3,-0.3 0.364 95.5 124.0 122.1 -2.3 91.2 -10.4 60.2 70 70 A G H > S+ 0 0 0 -3,-0.3 4,-2.5 -6,-0.3 768,-0.3 0.801 107.9 55.2 -72.8 -28.0 95.5 -12.9 62.6 73 73 A Q H X S+ 0 0 16 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.944 111.5 43.9 -67.2 -47.0 95.7 -9.7 64.7 74 74 A V H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.936 113.0 53.0 -61.7 -45.7 95.6 -11.8 67.8 75 75 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.897 108.4 49.3 -57.4 -42.9 98.1 -14.3 66.2 76 76 A A H X S+ 0 0 6 -4,-2.5 4,-1.5 760,-0.3 -1,-0.2 0.913 109.5 52.1 -63.8 -42.4 100.5 -11.5 65.5 77 77 A L H <>S+ 0 0 32 -4,-2.2 5,-3.1 1,-0.2 6,-0.6 0.887 108.9 51.6 -60.5 -39.3 100.3 -10.2 69.0 78 78 A I H ><5S+ 0 0 2 -4,-2.3 3,-1.5 4,-0.2 -1,-0.2 0.931 109.7 47.7 -63.9 -46.0 101.1 -13.7 70.3 79 79 A S H 3<5S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.758 109.9 54.0 -68.1 -22.6 104.1 -14.1 68.1 80 80 A E T 3<5S- 0 0 80 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.422 118.3-113.9 -89.2 0.0 105.3 -10.6 69.3 81 81 A G T < 5S+ 0 0 29 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.726 84.8 118.4 75.5 24.4 105.0 -11.8 72.9 82 82 A K < + 0 0 109 -5,-3.1 2,-0.4 -6,-0.2 -4,-0.2 0.477 63.3 61.4 -99.9 -4.9 102.1 -9.4 73.7 83 83 A I + 0 0 1 -6,-0.6 -69,-0.2 -5,-0.2 -2,-0.1 -0.988 53.2 177.0-123.0 131.2 99.5 -12.0 74.6 84 84 A D + 0 0 0 -71,-2.8 2,-0.4 -2,-0.4 -70,-0.2 0.698 69.2 29.5-104.6 -26.2 100.2 -14.4 77.5 85 85 A V E -c 14 0B 1 -72,-1.8 -70,-3.0 29,-0.2 2,-0.5 -1.000 61.6-159.7-139.8 137.2 97.0 -16.5 77.5 86 86 A L E -ce 15 116B 0 29,-2.5 31,-2.4 -2,-0.4 2,-0.7 -0.966 5.9-175.3-121.4 119.8 94.6 -17.4 74.8 87 87 A I E +ce 16 117B 4 -72,-2.8 -70,-3.0 -2,-0.5 2,-0.6 -0.938 16.9 171.3-111.3 103.2 91.0 -18.5 75.6 88 88 A F E -c 17 0B 0 29,-2.6 2,-1.6 -2,-0.7 -70,-0.2 -0.863 17.3-171.9-120.8 96.7 89.6 -19.5 72.2 89 89 A F E +c 18 0B 3 -72,-2.8 -70,-2.4 -2,-0.6 -67,-0.2 -0.634 20.0 178.9 -86.8 83.1 86.2 -21.2 72.3 90 90 A W - 0 0 22 -2,-1.6 -2,-0.0 28,-0.2 -73,-0.0 -0.549 34.2-105.4 -84.5 153.8 86.0 -22.3 68.6 91 91 A D > - 0 0 12 -2,-0.2 3,-0.8 1,-0.1 5,-0.1 -0.708 29.9-176.2 -85.2 110.4 83.0 -24.2 67.4 92 92 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 172,-0.1 0.491 82.0 54.0 -82.9 -1.8 83.7 -27.9 66.8 93 93 A L T 3 S+ 0 0 42 1,-0.1 2,-0.3 616,-0.0 616,-0.1 0.172 102.8 55.3-118.7 18.3 80.2 -28.5 65.4 94 94 A N S < S- 0 0 72 -3,-0.8 2,-0.4 614,-0.2 613,-0.1 -0.992 78.7-119.4-149.2 142.5 80.0 -25.9 62.7 95 95 A A - 0 0 46 -2,-0.3 305,-0.2 611,-0.2 614,-0.1 -0.694 27.4-155.0 -84.2 132.5 82.1 -25.2 59.6 96 96 A V > - 0 0 25 -2,-0.4 3,-1.5 1,-0.1 303,-0.1 -0.915 16.6-138.2-110.6 134.9 83.6 -21.7 59.6 97 97 A P T 3 S+ 0 0 47 0, 0.0 302,-0.2 0, 0.0 -1,-0.1 0.869 105.7 51.2 -55.8 -38.3 84.6 -19.9 56.4 98 98 A H T >> + 0 0 12 1,-0.2 4,-2.0 300,-0.1 3,-0.6 -0.094 69.5 134.2 -92.5 37.2 87.7 -18.6 58.0 99 99 A D H <> + 0 0 60 -3,-1.5 4,-2.9 1,-0.2 5,-0.3 0.873 68.0 58.0 -53.5 -41.1 88.8 -22.0 59.3 100 100 A P H 3> S+ 0 0 31 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.920 105.7 49.7 -58.7 -38.7 92.4 -21.4 58.0 101 101 A D H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.928 111.3 50.3 -61.7 -45.2 92.6 -18.3 60.2 102 102 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.950 113.7 43.4 -57.3 -52.4 91.3 -20.4 63.2 103 103 A K H X S+ 0 0 40 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.847 112.3 53.9 -63.6 -36.6 93.8 -23.2 62.6 104 104 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.890 107.9 50.0 -65.9 -40.4 96.7 -20.7 62.0 105 105 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.931 112.9 45.6 -64.9 -44.2 95.9 -18.9 65.3 106 106 A L H X S+ 0 0 30 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.849 110.4 55.4 -68.2 -32.2 96.0 -22.2 67.3 107 107 A R H X S+ 0 0 4 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.914 109.7 45.8 -66.0 -41.3 99.1 -23.3 65.5 108 108 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.885 108.2 55.2 -68.9 -40.1 100.9 -20.1 66.6 109 109 A A H <>S+ 0 0 0 -4,-2.1 5,-1.7 1,-0.2 -1,-0.2 0.836 110.8 48.1 -61.5 -31.4 99.7 -20.4 70.2 110 110 A T H ><5S+ 0 0 14 -4,-1.4 3,-1.2 3,-0.2 -2,-0.2 0.933 111.1 49.2 -73.8 -46.9 101.3 -23.8 70.2 111 111 A V H 3<5S+ 0 0 16 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.895 112.9 46.0 -58.9 -45.1 104.6 -22.7 68.7 112 112 A W T 3<5S- 0 0 21 -4,-2.7 -1,-0.3 28,-0.1 -2,-0.2 0.352 106.7-128.9 -84.5 6.4 105.0 -19.8 71.1 113 113 A N T < 5 + 0 0 15 -3,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.852 50.9 149.7 51.3 52.4 104.1 -22.0 74.1 114 114 A I < - 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