==== 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 06-NOV-09 3A9U . COMPND 2 MOLECULE: 4-COUMARATE--COA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: POPULUS TOMENTOSA; . AUTHOR Y.HU . 523 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 2 1 2 2 4 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 PARALLEL BRIDGES PER LADDER . 6 3 3 2 1 0 0 0 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 0 1 0 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 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 6 A E 0 0 111 0, 0.0 2,-1.1 0, 0.0 365,-0.1 0.000 360.0 360.0 360.0 165.6 48.5 24.9 96.8 2 7 A F - 0 0 107 355,-0.2 2,-0.5 364,-0.0 355,-0.4 -0.722 360.0-176.0 -87.8 95.4 49.6 23.0 93.7 3 8 A I - 0 0 71 -2,-1.1 2,-0.3 353,-0.1 353,-0.2 -0.813 5.2-164.4 -98.5 129.3 50.2 25.6 91.0 4 9 A F B +A 355 0A 12 351,-3.4 351,-3.4 -2,-0.5 2,-0.2 -0.806 11.4 174.9-109.6 151.2 51.1 24.6 87.4 5 10 A R - 0 0 86 -2,-0.3 344,-0.2 349,-0.2 346,-0.1 -0.778 36.9 -57.0-141.6-174.9 52.5 26.8 84.6 6 11 A S - 0 0 6 347,-0.4 344,-0.1 344,-0.4 -1,-0.1 -0.292 37.0-130.4 -67.2 151.3 53.9 26.8 81.1 7 12 A K S S+ 0 0 89 342,-0.2 -1,-0.1 407,-0.1 343,-0.1 0.556 95.2 74.6 -78.2 -7.6 56.9 24.7 80.2 8 13 A L S S- 0 0 8 1,-0.1 -2,-0.1 3,-0.0 2,-0.1 -0.640 94.1-106.1 -99.4 160.5 58.2 27.9 78.8 9 14 A P - 0 0 82 0, 0.0 201,-0.1 0, 0.0 342,-0.1 -0.426 42.8 -91.6 -82.4 162.8 59.5 30.8 80.9 10 15 A D - 0 0 88 -2,-0.1 2,-0.3 341,-0.1 341,-0.0 -0.173 43.8-152.1 -65.2 168.1 57.5 34.1 81.4 11 16 A I - 0 0 25 -3,-0.1 2,-0.3 197,-0.1 193,-0.1 -0.895 25.0 -85.3-138.2 167.9 58.0 36.9 78.9 12 17 A Y - 0 0 178 -2,-0.3 196,-0.0 191,-0.1 195,-0.0 -0.564 42.9-178.4 -75.0 136.5 57.8 40.7 78.9 13 18 A I - 0 0 10 -2,-0.3 187,-0.1 194,-0.0 186,-0.0 -0.923 28.0-121.1-140.1 112.5 54.3 41.9 78.1 14 19 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 189,-0.1 -0.174 23.5-175.2 -52.9 142.2 53.6 45.7 77.9 15 20 A K S S+ 0 0 74 1,-0.1 181,-0.1 184,-0.0 185,-0.0 0.279 73.6 63.8-120.8 5.9 51.0 46.8 80.4 16 21 A N S S+ 0 0 120 155,-0.1 -1,-0.1 156,-0.1 180,-0.0 -0.113 83.7 88.8-124.5 36.4 50.8 50.5 79.2 17 22 A L S S- 0 0 44 -3,-0.1 2,-0.2 154,-0.0 182,-0.1 -0.953 70.5-117.0-137.0 154.0 49.5 50.2 75.6 18 23 A P > - 0 0 25 0, 0.0 4,-1.8 0, 0.0 5,-0.2 -0.529 40.7-109.9 -80.1 155.2 46.2 50.2 73.6 19 24 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.932 117.1 50.7 -52.2 -51.9 45.6 46.9 71.7 20 25 A H H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 108.7 51.7 -55.9 -42.8 46.1 48.5 68.3 21 26 A S H 4 S+ 0 0 46 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.854 113.0 45.1 -63.2 -36.4 49.4 50.2 69.3 22 27 A Y H >< S+ 0 0 0 -4,-1.8 3,-1.2 -3,-0.3 4,-0.3 0.945 113.6 48.7 -70.9 -50.0 50.8 46.8 70.6 23 28 A V H 3< S+ 0 0 1 -4,-2.8 3,-0.2 1,-0.3 -2,-0.2 0.813 120.8 35.7 -61.2 -33.1 49.7 44.8 67.5 24 29 A L T >< S+ 0 0 16 -4,-2.1 3,-2.4 -5,-0.2 4,-0.3 0.233 83.8 116.3-105.2 13.1 51.1 47.3 65.1 25 30 A E T < S+ 0 0 105 -3,-1.2 3,-0.4 1,-0.3 -1,-0.2 0.848 82.5 37.8 -49.1 -43.6 54.1 48.2 67.2 26 31 A N T > S+ 0 0 65 -4,-0.3 3,-2.2 216,-0.3 4,-0.3 0.060 76.8 126.5-100.2 26.0 56.6 46.8 64.7 27 32 A L G X + 0 0 25 -3,-2.4 3,-2.8 1,-0.3 -1,-0.2 0.912 67.0 63.6 -45.1 -50.6 54.7 48.1 61.7 28 33 A S G 3 S+ 0 0 106 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.698 91.2 64.9 -49.1 -27.0 57.8 49.9 60.5 29 34 A N G < S+ 0 0 119 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.559 124.2 13.3 -77.7 -7.4 59.6 46.5 60.1 30 35 A H S X S+ 0 0 16 -3,-2.8 3,-1.4 -4,-0.3 17,-0.5 0.024 79.2 143.8-157.1 32.9 57.2 45.5 57.3 31 36 A S T 3 S+ 0 0 50 -3,-0.4 17,-2.2 1,-0.3 18,-0.3 0.886 80.7 36.2 -41.1 -54.9 55.4 48.7 56.4 32 37 A S T 3 S+ 0 0 100 -4,-0.2 -1,-0.3 15,-0.2 3,-0.1 0.469 95.2 103.6 -85.9 -3.2 55.2 47.9 52.7 33 38 A K S < S- 0 0 73 -3,-1.4 14,-1.9 1,-0.1 15,-0.2 -0.333 85.4 -82.7 -77.6 162.6 54.7 44.1 52.9 34 39 A P E +G 46 0B 50 0, 0.0 12,-0.3 0, 0.0 -1,-0.1 -0.430 48.5 167.5 -66.5 136.6 51.3 42.5 52.4 35 40 A C E + 0 0 0 10,-3.3 212,-2.7 1,-0.4 2,-0.5 0.748 65.8 26.8-112.4 -55.4 49.0 42.6 55.4 36 41 A L E -Gh 45 247B 0 9,-1.8 9,-2.8 210,-0.2 2,-0.6 -0.967 63.0-170.5-118.1 124.6 45.5 41.6 54.2 37 42 A I E -Gh 44 248B 15 210,-3.1 212,-3.0 -2,-0.5 2,-0.9 -0.959 15.5-146.1-116.9 117.5 44.9 39.4 51.1 38 43 A N E > - h 0 249B 10 5,-3.0 4,-2.2 -2,-0.6 3,-0.3 -0.725 9.7-167.5 -84.8 108.1 41.4 39.1 49.9 39 44 A G T 4 S+ 0 0 14 210,-3.2 -1,-0.2 -2,-0.9 211,-0.2 0.749 81.6 62.2 -66.4 -23.7 41.2 35.6 48.6 40 45 A A T 4 S+ 0 0 72 209,-0.5 -1,-0.2 1,-0.1 210,-0.1 0.907 126.8 6.0 -69.7 -43.1 37.8 36.3 46.9 41 46 A N T 4 S- 0 0 91 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.339 96.9-113.3-124.9 4.9 39.1 39.0 44.5 42 47 A G < + 0 0 35 -4,-2.2 -3,-0.1 1,-0.2 -2,-0.0 0.432 57.9 156.6 79.4 -2.6 42.9 39.1 44.9 43 48 A D - 0 0 83 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.4 -0.270 26.9-154.2 -58.3 142.3 43.0 42.6 46.5 44 49 A V E -G 37 0B 82 -7,-0.2 2,-0.5 -10,-0.0 -7,-0.2 -0.983 8.6-165.0-125.2 129.6 46.1 43.2 48.6 45 50 A Y E -G 36 0B 54 -9,-2.8 -10,-3.3 -2,-0.4 -9,-1.8 -0.948 16.2-141.1-111.6 128.7 46.4 45.7 51.5 46 51 A T E > -G 34 0B 36 -2,-0.5 4,-2.2 -12,-0.3 5,-0.2 -0.484 26.4-109.8 -84.2 160.9 49.8 46.6 52.8 47 52 A Y H > S+ 0 0 1 -14,-1.9 4,-2.6 -17,-0.5 5,-0.2 0.879 122.4 52.5 -55.8 -40.1 50.5 47.1 56.5 48 53 A A H > S+ 0 0 33 -17,-2.2 4,-2.2 -15,-0.2 -1,-0.3 0.891 107.4 52.8 -64.2 -37.9 50.9 50.8 55.9 49 54 A D H > S+ 0 0 72 -18,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.899 111.5 46.3 -62.9 -41.7 47.5 50.8 54.1 50 55 A V H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.897 111.5 49.6 -69.2 -42.3 45.9 49.1 57.1 51 56 A E H X S+ 0 0 47 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.922 115.1 44.4 -65.1 -40.8 47.4 51.4 59.7 52 57 A L H X S+ 0 0 47 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.952 113.5 49.4 -67.7 -48.1 46.4 54.5 57.8 53 58 A T H X S+ 0 0 19 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.837 106.1 58.8 -60.4 -33.1 42.9 53.3 57.1 54 59 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.944 107.0 45.0 -62.3 -48.5 42.5 52.4 60.7 55 60 A R H X S+ 0 0 83 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.899 112.4 52.8 -63.0 -39.1 43.1 55.9 61.9 56 61 A R H X S+ 0 0 76 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.907 107.6 51.4 -61.8 -41.3 40.8 57.2 59.2 57 62 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.869 105.3 55.6 -64.6 -35.8 38.1 54.9 60.3 58 63 A A H X S+ 0 0 3 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.910 110.5 46.5 -62.5 -39.2 38.5 56.2 63.9 59 64 A S H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.928 111.9 48.9 -67.9 -46.4 37.9 59.7 62.5 60 65 A G H X S+ 0 0 1 -4,-2.8 4,-2.3 97,-0.5 6,-0.2 0.877 106.8 57.1 -61.1 -37.6 34.9 58.6 60.5 61 66 A L H <>S+ 0 0 1 -4,-2.6 5,-2.7 1,-0.2 -1,-0.2 0.933 110.3 44.2 -58.5 -45.3 33.4 56.8 63.5 62 67 A N H ><5S+ 0 0 45 -4,-1.6 3,-2.0 3,-0.2 -2,-0.2 0.913 108.3 59.1 -66.5 -41.2 33.6 60.1 65.4 63 68 A K H 3<5S+ 0 0 109 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.894 108.3 44.3 -55.0 -42.7 32.2 62.0 62.4 64 69 A I T 3<5S- 0 0 23 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.287 127.2 -97.5 -88.1 12.4 29.0 59.9 62.5 65 70 A G T < 5S+ 0 0 36 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.464 75.7 138.5 93.4 -0.7 28.7 60.2 66.2 66 71 A I < - 0 0 4 -5,-2.7 -1,-0.3 -6,-0.2 2,-0.2 -0.667 32.8-176.7 -80.5 132.8 30.2 56.9 67.5 67 72 A Q > - 0 0 107 -2,-0.4 3,-2.2 1,-0.1 25,-0.1 -0.668 34.0 -60.1-124.8 178.6 32.3 57.7 70.6 68 73 A Q T 3 S+ 0 0 76 1,-0.3 26,-0.3 -2,-0.2 25,-0.1 -0.328 123.5 21.6 -57.8 134.6 34.6 56.1 73.1 69 74 A G T 3 S+ 0 0 45 24,-1.9 -1,-0.3 1,-0.3 25,-0.1 0.121 93.8 128.8 92.0 -22.1 32.9 53.4 75.0 70 75 A D < - 0 0 35 -3,-2.2 25,-2.7 1,-0.1 2,-0.3 -0.407 57.8-125.1 -70.4 142.1 30.3 53.0 72.2 71 76 A V E -mn 95 117C 13 45,-0.6 47,-2.7 23,-0.2 48,-1.0 -0.698 18.4-162.8 -91.0 139.7 29.7 49.4 70.9 72 77 A I E -mn 96 119C 5 23,-2.9 25,-2.4 -2,-0.3 2,-0.6 -0.980 10.7-147.9-123.4 116.2 30.0 48.6 67.2 73 78 A M E -mn 97 120C 0 46,-3.1 48,-2.3 -2,-0.5 2,-0.5 -0.750 7.2-153.7 -90.3 119.8 28.4 45.4 66.1 74 79 A L E +mn 98 121C 1 23,-3.3 25,-2.1 -2,-0.6 2,-0.2 -0.784 17.0 175.4 -93.6 132.4 30.1 43.6 63.2 75 80 A F + 0 0 0 46,-2.8 48,-0.5 -2,-0.5 25,-0.1 -0.641 39.7 115.8-134.3 70.9 27.9 41.4 61.1 76 81 A L - 0 0 2 23,-0.4 152,-0.2 -2,-0.2 3,-0.1 -0.975 64.5-113.8-142.6 154.4 30.3 40.3 58.3 77 82 A P - 0 0 25 0, 0.0 5,-0.2 0, 0.0 175,-0.1 -0.297 68.5 -63.8 -75.6 172.9 32.0 37.2 57.0 78 83 A S S S+ 0 0 5 173,-0.4 3,-0.1 172,-0.2 145,-0.0 -0.390 86.4 133.1 -60.1 131.4 35.7 37.1 57.4 79 84 A S > - 0 0 8 -3,-0.1 4,-1.4 1,-0.1 3,-0.4 -0.991 70.0 -94.0-171.3 167.7 37.1 39.9 55.4 80 85 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.2 0.902 120.0 56.7 -58.0 -44.3 39.4 43.0 55.1 81 86 A E H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.847 102.1 56.6 -57.2 -36.6 36.6 45.4 56.1 82 87 A F H > S+ 0 0 0 -3,-0.4 4,-2.1 -5,-0.2 -1,-0.2 0.921 110.1 44.6 -61.4 -43.6 36.2 43.4 59.3 83 88 A V H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.2 -2,-0.2 0.880 114.7 47.7 -69.0 -39.4 39.8 43.9 60.2 84 89 A L H X S+ 0 0 5 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.879 112.0 49.6 -70.7 -38.0 39.8 47.6 59.2 85 90 A A H X S+ 0 0 4 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.910 112.2 49.8 -66.9 -40.5 36.6 48.2 61.2 86 91 A F H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.968 113.5 42.4 -62.3 -55.2 38.1 46.4 64.2 87 92 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.854 114.4 54.2 -60.9 -33.7 41.4 48.4 64.2 88 93 A G H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.939 109.0 46.1 -65.6 -47.6 39.4 51.6 63.6 89 94 A A H X>S+ 0 0 0 -4,-2.6 5,-3.1 2,-0.2 4,-0.9 0.881 112.3 51.8 -62.5 -39.4 37.2 51.0 66.6 90 95 A S H ><5S+ 0 0 1 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.952 109.1 49.8 -61.9 -49.4 40.2 50.2 68.7 91 96 A H H 3<5S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.819 112.3 49.0 -58.6 -31.1 41.9 53.4 67.6 92 97 A R H 3<5S- 0 0 15 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.623 115.0-117.2 -85.2 -10.9 38.7 55.3 68.5 93 98 A G T <<5S+ 0 0 8 -3,-1.2 -24,-1.9 -4,-0.9 -3,-0.2 0.702 71.1 134.6 82.7 18.1 38.5 53.7 71.9 94 99 A A < - 0 0 0 -5,-3.1 2,-0.4 -26,-0.3 -1,-0.2 -0.414 53.9-116.9 -92.7 173.9 35.2 52.0 70.9 95 100 A I E -m 71 0C 27 -25,-2.7 -23,-2.9 -2,-0.1 2,-0.4 -0.906 20.2-151.3-114.7 140.3 34.2 48.4 71.5 96 101 A I E -mo 72 177C 4 80,-3.1 82,-2.7 -2,-0.4 2,-0.4 -0.918 11.9-178.2-115.9 139.3 33.4 45.8 68.9 97 102 A T E -m 73 0C 0 -25,-2.4 -23,-3.3 -2,-0.4 2,-0.3 -0.990 13.6-157.5-128.6 139.4 31.1 42.8 69.2 98 103 A A E -m 74 0C 9 -2,-0.4 82,-0.4 130,-0.3 2,-0.3 -0.896 10.8-173.1-124.5 153.2 30.6 40.4 66.3 99 104 A A - 0 0 6 -25,-2.1 -23,-0.4 -2,-0.3 130,-0.1 -0.954 39.8 -90.3-138.2 154.1 28.0 37.9 65.2 100 105 A N > - 0 0 52 -2,-0.3 3,-2.3 1,-0.1 8,-0.0 -0.458 31.2-134.3 -65.2 129.1 27.8 35.2 62.5 101 106 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 22,-0.1 0.794 104.7 61.1 -55.1 -27.4 26.4 36.8 59.2 102 107 A F T 3 S+ 0 0 162 2,-0.0 -2,-0.1 0, 0.0 -27,-0.0 0.332 78.1 121.6 -83.3 5.5 24.2 33.7 59.0 103 108 A S S < S- 0 0 19 -3,-2.3 26,-0.0 1,-0.1 -4,-0.0 -0.189 70.3-100.1 -65.0 162.2 22.4 34.3 62.3 104 109 A T > - 0 0 66 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.502 30.7-109.9 -82.9 155.4 18.6 34.6 62.3 105 110 A P H > S+ 0 0 67 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.872 118.0 53.4 -50.1 -40.7 17.0 38.1 62.5 106 111 A A H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.932 110.5 42.9 -64.3 -48.3 15.8 37.4 66.0 107 112 A E H > S+ 0 0 88 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.892 113.2 54.6 -66.7 -34.2 19.2 36.4 67.4 108 113 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.931 110.2 46.3 -60.8 -46.2 20.8 39.3 65.5 109 114 A A H X S+ 0 0 28 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.898 112.9 49.1 -63.7 -42.1 18.3 41.6 67.2 110 115 A K H X S+ 0 0 130 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.914 111.8 49.3 -63.8 -42.7 18.9 40.1 70.7 111 116 A H H X S+ 0 0 30 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.938 114.4 45.4 -60.6 -48.9 22.7 40.4 70.2 112 117 A A H X>S+ 0 0 4 -4,-2.5 5,-1.8 -5,-0.2 4,-0.6 0.883 115.6 45.0 -64.8 -41.9 22.3 44.0 69.2 113 118 A K H ><5S+ 0 0 154 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.932 113.6 50.2 -69.5 -44.2 19.9 45.0 72.0 114 119 A A H 3<5S+ 0 0 50 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.880 113.2 45.2 -61.7 -39.7 21.9 43.1 74.6 115 120 A S H 3<5S- 0 0 1 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.514 104.6-125.5 -84.4 -3.1 25.2 44.8 73.6 116 121 A R T <<5 - 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