==== 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 OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 02-MAR-10 3M08 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.R.BOURNE,W.W.BARROW . 161 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 14.3 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 17 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 13.0 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+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 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 . 1 1 0 0 0 0 2 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 . 1 0 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 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 T 0 0 97 0, 0.0 88,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 141.4 -1.3 24.1 11.8 2 2 A L E +a 89 0A 19 86,-0.2 104,-2.3 102,-0.1 105,-1.1 -0.980 360.0 171.5-117.9 119.6 0.6 24.3 8.6 3 3 A S E -ab 90 107A 0 86,-2.9 88,-3.8 -2,-0.5 2,-0.4 -0.917 31.6-128.7-128.7 152.3 -1.3 23.5 5.4 4 4 A I E -ab 91 108A 0 103,-2.2 105,-3.3 -2,-0.3 2,-0.4 -0.785 20.2-166.9 -90.6 143.3 -0.9 23.6 1.7 5 5 A L E + b 0 109A 5 86,-2.4 2,-0.3 -2,-0.4 105,-0.2 -0.985 27.2 141.4-130.8 119.8 -3.7 25.4 -0.3 6 6 A V E - b 0 110A 12 103,-2.3 105,-2.8 -2,-0.4 2,-0.5 -0.998 42.7-144.6-158.5 151.0 -3.6 24.7 -4.0 7 7 A A E + b 0 111A 11 -2,-0.3 2,-0.3 103,-0.2 105,-0.2 -0.996 30.7 167.2-116.8 126.5 -5.6 24.1 -7.2 8 8 A H E - b 0 112A 10 103,-2.2 105,-2.5 -2,-0.5 6,-0.2 -0.981 26.1-127.1-137.2 153.6 -4.0 21.8 -9.7 9 9 A D E > - b 0 113A 0 4,-1.8 3,-2.2 -2,-0.3 105,-0.2 -0.090 48.0 -74.9 -89.0-169.8 -5.3 20.1 -12.8 10 10 A L T 3 S+ 0 0 94 105,-2.3 106,-0.1 103,-0.6 104,-0.1 0.697 136.7 40.3 -62.2 -19.0 -5.3 16.4 -13.9 11 11 A Q T 3 S- 0 0 99 104,-0.4 -1,-0.3 2,-0.1 105,-0.1 0.182 122.3-103.5-114.5 16.2 -1.6 16.7 -14.7 12 12 A R < + 0 0 74 -3,-2.2 111,-2.7 1,-0.3 2,-0.2 0.638 64.6 158.3 69.9 18.8 -0.7 18.9 -11.7 13 13 A V E +H 122 0B 2 109,-0.2 -4,-1.8 1,-0.1 109,-0.3 -0.525 11.5 169.9 -64.0 134.8 -0.5 22.1 -13.7 14 14 A I E + 0 0 18 107,-2.9 2,-0.3 1,-0.3 108,-0.2 0.501 56.5 11.2-120.1 -12.6 -1.0 25.1 -11.3 15 15 A G E -H 121 0B 5 106,-1.4 105,-2.7 5,-0.2 106,-1.4 -0.999 44.1-160.0-163.5 158.5 -0.1 28.0 -13.5 16 16 A F B > S-I 19 0C 63 3,-2.7 3,-1.1 -2,-0.3 103,-0.1 -0.939 83.1 -13.5-148.3 125.7 0.8 29.5 -16.9 17 17 A E T 3 S- 0 0 135 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.902 127.2 -54.4 47.8 50.7 2.6 32.8 -17.5 18 18 A N T 3 S+ 0 0 100 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.740 121.4 95.7 58.0 28.9 2.2 33.8 -13.9 19 19 A Q B < S-I 16 0C 112 -3,-1.1 -3,-2.7 31,-0.0 -1,-0.2 -0.950 85.7 -96.0-137.2 159.9 -1.6 33.4 -13.9 20 20 A L - 0 0 91 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.605 33.2-139.2 -69.5 135.9 -4.1 30.7 -13.0 21 21 A P S S+ 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.713 79.1 56.8 -71.9 -18.2 -4.8 28.8 -16.2 22 22 A W S S- 0 0 18 2,-0.1 2,-0.7 95,-0.1 -2,-0.1 -0.764 72.9-134.0-115.5 156.0 -8.5 28.5 -15.4 23 23 A H + 0 0 141 -2,-0.3 123,-0.4 1,-0.0 124,-0.2 -0.938 44.0 147.2-105.4 109.3 -11.4 30.8 -14.7 24 24 A L >> - 0 0 6 -2,-0.7 3,-1.4 1,-0.1 4,-1.1 -0.660 23.4-177.8-147.5 84.0 -13.2 29.3 -11.7 25 25 A P H 3> S+ 0 0 38 0, 0.0 4,-2.0 0, 0.0 3,-0.4 0.843 81.9 63.5 -51.7 -41.0 -14.8 31.8 -9.2 26 26 A N H 3> S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.811 100.1 52.6 -57.7 -32.1 -16.0 29.0 -6.9 27 27 A D H <> S+ 0 0 8 -3,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.865 107.7 50.3 -73.4 -34.7 -12.4 28.0 -6.1 28 28 A L H X S+ 0 0 94 -4,-1.1 4,-2.3 -3,-0.4 -2,-0.2 0.834 110.3 50.8 -70.5 -32.0 -11.4 31.5 -5.2 29 29 A K H X S+ 0 0 135 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.880 108.9 52.1 -66.7 -39.0 -14.4 31.6 -2.9 30 30 A H H X S+ 0 0 37 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.933 110.2 48.2 -59.4 -48.7 -13.2 28.3 -1.5 31 31 A V H X S+ 0 0 17 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.925 111.4 50.2 -56.9 -48.1 -9.8 29.9 -0.9 32 32 A K H X S+ 0 0 131 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.914 110.9 48.8 -57.7 -45.8 -11.4 32.9 0.8 33 33 A K H < S+ 0 0 181 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.910 114.3 45.0 -64.9 -43.6 -13.5 30.8 3.1 34 34 A L H < S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.880 121.3 35.5 -65.7 -39.8 -10.6 28.6 4.2 35 35 A S H >< S+ 0 0 0 -4,-2.2 3,-2.4 -5,-0.2 -2,-0.2 0.564 79.1 119.8-102.7 -11.0 -8.1 31.4 4.8 36 36 A T T 3< S+ 0 0 60 -4,-1.8 21,-0.2 1,-0.3 3,-0.1 -0.346 87.6 14.4 -57.9 129.7 -10.1 34.4 6.1 37 37 A G T 3 S+ 0 0 62 19,-2.8 -1,-0.3 1,-0.3 20,-0.2 0.448 120.2 80.2 84.7 0.5 -8.8 35.3 9.6 38 38 A H S < S- 0 0 75 -3,-2.4 20,-2.8 18,-0.2 2,-0.4 -0.199 83.4 -80.5-118.0-151.1 -5.6 33.2 9.1 39 39 A T E -cd 58 89A 11 49,-1.9 51,-3.2 18,-0.2 2,-0.5 -0.973 24.0-160.2-129.2 135.0 -2.3 33.5 7.3 40 40 A L E -cd 59 90A 0 18,-3.0 20,-3.0 -2,-0.4 2,-0.5 -0.940 4.8-165.6-109.1 129.6 -1.1 33.0 3.7 41 41 A V E +cd 60 91A 0 49,-2.8 51,-3.5 -2,-0.5 52,-0.6 -0.974 21.2 165.3-112.2 125.8 2.5 32.4 2.9 42 42 A M E -cd 61 93A 0 18,-2.4 20,-2.8 -2,-0.5 52,-0.3 -0.978 36.8-106.9-141.4 152.5 3.4 32.9 -0.8 43 43 A G E > -c 62 0A 10 50,-2.3 4,-2.1 -2,-0.3 20,-0.2 -0.298 41.9-104.2 -70.9 163.5 6.4 33.3 -3.0 44 44 A R H > S+ 0 0 118 18,-1.1 4,-2.6 1,-0.2 5,-0.2 0.866 119.0 51.9 -60.4 -39.6 7.2 36.7 -4.5 45 45 A K H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 107.7 51.9 -66.5 -41.8 5.9 35.8 -8.0 46 46 A T H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 111.6 48.3 -59.0 -43.6 2.6 34.5 -6.7 47 47 A F H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.950 109.8 50.0 -61.3 -49.3 2.2 37.8 -4.8 48 48 A E H < S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.832 108.4 55.8 -61.1 -30.7 3.1 40.0 -7.8 49 49 A S H < S+ 0 0 43 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.937 109.5 43.5 -65.6 -48.0 0.5 38.0 -9.8 50 50 A I H < S- 0 0 63 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.871 99.5-148.9 -65.9 -37.4 -2.3 38.8 -7.4 51 51 A G < + 0 0 48 -4,-2.7 -3,-0.1 -5,-0.2 -1,-0.1 0.078 63.0 25.8 98.0 -24.5 -1.1 42.4 -7.3 52 52 A K S S- 0 0 143 -5,-0.2 20,-0.1 20,-0.0 2,-0.0 -0.971 94.3 -75.4-159.6 166.2 -2.0 43.3 -3.7 53 53 A P - 0 0 33 0, 0.0 20,-0.1 0, 0.0 5,-0.0 -0.395 48.2-115.3 -67.7 150.1 -2.7 41.7 -0.3 54 54 A L > - 0 0 45 18,-0.1 3,-0.5 1,-0.1 -4,-0.0 -0.754 39.6-111.1 -84.8 130.3 -5.9 39.8 0.1 55 55 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.195 88.1 25.6 -64.6 150.6 -8.1 41.5 2.7 56 56 A N T 3 S+ 0 0 128 1,-0.1 -19,-2.8 -20,-0.1 2,-0.3 0.754 107.9 63.2 72.3 31.3 -9.0 40.0 6.1 57 57 A R S < S- 0 0 31 -3,-0.5 2,-0.4 -21,-0.2 -18,-0.2 -0.942 91.7 -83.8-166.3 165.0 -6.0 37.7 6.7 58 58 A R E -c 39 0A 96 -20,-2.8 -18,-3.0 -2,-0.3 2,-0.6 -0.629 36.7-154.3 -78.7 126.7 -2.3 38.0 7.1 59 59 A N E -ce 40 73A 5 13,-0.5 15,-3.1 -2,-0.4 2,-0.5 -0.905 13.8-176.8-102.2 115.1 -0.3 38.2 3.9 60 60 A V E -ce 41 74A 0 -20,-3.0 -18,-2.4 -2,-0.6 2,-0.5 -0.950 7.0-161.3-116.0 126.8 3.2 36.9 4.1 61 61 A V E -ce 42 75A 0 13,-2.8 15,-2.6 -2,-0.5 2,-0.6 -0.914 7.5-149.4-112.5 127.8 5.6 37.1 1.2 62 62 A L E +ce 43 76A 21 -20,-2.8 -18,-1.1 -2,-0.5 2,-0.3 -0.845 37.6 139.8 -95.0 121.3 8.8 35.0 0.9 63 63 A T - 0 0 15 13,-2.0 -2,-0.0 -2,-0.6 -20,-0.0 -0.982 55.9-134.8-155.6 154.9 11.5 36.7 -1.1 64 64 A S S S+ 0 0 115 -2,-0.3 2,-0.9 3,-0.0 13,-0.1 0.493 76.0 111.3 -87.3 -6.5 15.3 37.3 -1.1 65 65 A D > - 0 0 79 1,-0.2 3,-1.5 2,-0.1 -2,-0.1 -0.569 48.8-171.1 -75.5 104.8 14.7 41.0 -1.9 66 66 A T T 3 S+ 0 0 121 -2,-0.9 -1,-0.2 1,-0.3 9,-0.0 0.571 85.9 58.9 -74.2 -7.6 15.6 42.9 1.2 67 67 A S T 3 S+ 0 0 101 2,-0.0 -1,-0.3 -3,-0.0 2,-0.2 0.490 76.5 124.1 -91.7 -6.2 14.1 46.1 -0.3 68 68 A F < + 0 0 21 -3,-1.5 2,-0.3 2,-0.0 7,-0.1 -0.367 29.1 156.1 -61.7 121.3 10.7 44.4 -0.6 69 69 A N + 0 0 144 -2,-0.2 2,-0.4 5,-0.1 5,-0.1 -0.880 9.7 168.0-150.4 115.5 8.2 46.5 1.2 70 70 A V > - 0 0 44 3,-0.4 3,-2.5 -2,-0.3 -18,-0.0 -0.988 39.6-113.5-132.2 125.6 4.5 46.5 0.5 71 71 A E T 3 S+ 0 0 89 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 -0.319 106.3 18.7 -53.6 127.8 1.8 48.1 2.7 72 72 A G T 3 S+ 0 0 60 1,-0.2 -13,-0.5 -20,-0.1 2,-0.4 0.457 107.5 102.4 88.2 1.5 -0.3 45.3 4.1 73 73 A V E < -e 59 0A 17 -3,-2.5 2,-0.4 -15,-0.1 -3,-0.4 -0.953 58.1-151.1-120.3 136.5 2.3 42.7 3.5 74 74 A D E -e 60 0A 72 -15,-3.1 -13,-2.8 -2,-0.4 2,-0.4 -0.874 20.2-145.9 -99.9 139.4 4.7 41.1 5.9 75 75 A V E -e 61 0A 54 -2,-0.4 2,-0.3 -15,-0.2 -13,-0.2 -0.856 16.7-177.2-111.3 140.4 7.9 39.9 4.4 76 76 A I E -e 62 0A 18 -15,-2.6 -13,-2.0 -2,-0.4 3,-0.1 -0.916 14.1-159.2-125.7 159.5 10.1 36.9 5.3 77 77 A H + 0 0 86 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.1 0.402 69.8 37.3-121.7 0.9 13.5 35.9 3.8 78 78 A S S > S- 0 0 48 1,-0.1 3,-1.3 -14,-0.0 4,-0.4 -0.994 73.2-119.8-150.4 154.5 13.8 32.2 4.6 79 79 A I G >> S+ 0 0 24 -2,-0.3 3,-2.3 1,-0.3 4,-0.5 0.896 111.7 64.9 -56.2 -42.1 11.7 29.0 4.8 80 80 A E G >4 S+ 0 0 118 1,-0.3 3,-0.5 2,-0.2 4,-0.3 0.732 90.1 67.7 -57.8 -21.5 12.6 28.7 8.5 81 81 A D G X4 S+ 0 0 59 -3,-1.3 3,-1.5 1,-0.2 4,-0.3 0.801 86.3 69.5 -66.2 -28.7 10.7 31.9 9.1 82 82 A I G X4 S+ 0 0 3 -3,-2.3 3,-1.7 -4,-0.4 -1,-0.2 0.878 90.6 59.6 -57.3 -39.4 7.5 30.1 8.3 83 83 A Y G << S+ 0 0 92 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.615 98.0 59.3 -70.5 -11.8 7.6 28.1 11.4 84 84 A Q G < S+ 0 0 144 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.492 79.6 108.4 -91.8 -5.7 7.6 31.2 13.6 85 85 A L < - 0 0 22 -3,-1.7 4,-0.1 -4,-0.3 -46,-0.1 -0.616 68.3-132.0 -78.1 124.1 4.3 32.4 12.2 86 86 A P + 0 0 91 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.308 60.8 7.5 -72.1 156.0 1.5 32.0 14.8 87 87 A G S S- 0 0 61 2,-0.1 2,-0.7 -49,-0.1 -49,-0.1 -0.224 112.4 -14.0 81.6-162.1 -1.9 30.4 14.1 88 88 A H - 0 0 36 -51,-0.1 -49,-1.9 -86,-0.1 2,-0.5 -0.724 67.0-166.7 -84.0 115.8 -3.1 28.5 11.0 89 89 A V E -ad 2 39A 4 -88,-2.9 -86,-2.9 -2,-0.7 2,-0.5 -0.888 6.1-158.8-109.3 129.7 -0.7 29.1 8.1 90 90 A F E -ad 3 40A 2 -51,-3.2 -49,-2.8 -2,-0.5 2,-0.7 -0.937 17.2-136.2-109.8 121.7 -1.5 28.2 4.5 91 91 A I E -ad 4 41A 0 -88,-3.8 -86,-2.4 -2,-0.5 -49,-0.2 -0.691 26.6-174.8 -71.1 113.6 1.2 27.7 2.0 92 92 A F E - 0 0 32 -51,-3.5 2,-0.2 -2,-0.7 -50,-0.2 0.540 32.7-161.1 -98.9 -11.7 -0.4 29.6 -0.9 93 93 A G E - d 0 42A 2 -52,-0.6 -50,-2.3 1,-0.2 -1,-0.3 -0.697 54.6-157.6 127.8 176.7 2.1 29.0 -3.8 94 94 A G > - 0 0 14 -52,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.403 57.7 -91.9-100.1-139.0 3.7 29.0 -6.1 95 95 A Q H > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 123.7 50.5 -49.0 -48.8 5.6 26.0 -7.6 96 96 A T H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 111.7 46.0 -61.2 -47.7 8.7 26.8 -5.6 97 97 A L H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 112.3 51.3 -60.2 -45.2 7.0 27.1 -2.3 98 98 A F H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 3,-0.2 0.935 110.4 48.7 -60.1 -45.8 5.0 23.9 -2.8 99 99 A E H < S+ 0 0 107 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.891 114.3 46.4 -59.8 -40.5 8.2 22.0 -3.7 100 100 A E H < S+ 0 0 81 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.761 124.2 31.6 -73.3 -25.7 10.0 23.4 -0.6 101 101 A M H >X S+ 0 0 0 -4,-1.8 3,-2.4 -3,-0.2 4,-1.5 0.595 86.8 92.3-111.8 -14.0 7.0 22.7 1.8 102 102 A I T 3< S+ 0 0 14 -4,-2.5 -3,-0.1 1,-0.3 -1,-0.1 0.814 92.4 47.8 -59.8 -29.8 5.2 19.6 0.6 103 103 A D T 34 S+ 0 0 125 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.481 115.2 48.2 -84.8 -1.0 7.3 17.3 2.8 104 104 A K T <4 S+ 0 0 109 -3,-2.4 -2,-0.2 -101,-0.0 -1,-0.2 0.637 86.0 98.3-113.0 -21.0 6.7 19.6 5.8 105 105 A V < - 0 0 1 -4,-1.5 -102,-0.2 1,-0.1 3,-0.1 -0.333 62.7-140.5 -78.8 154.9 3.0 20.4 5.9 106 106 A D S S- 0 0 84 -104,-2.3 50,-1.9 1,-0.2 2,-0.3 0.900 80.3 -13.7 -71.2 -44.8 0.4 18.7 8.2 107 107 A D E -bF 3 155A 12 -105,-1.1 -103,-2.2 48,-0.2 2,-0.4 -0.909 61.0-127.4-153.9 172.9 -2.3 18.6 5.5 108 108 A M E -bF 4 154A 0 46,-2.6 46,-3.0 -2,-0.3 2,-0.7 -0.998 2.4-154.4-137.9 133.5 -3.3 19.9 2.1 109 109 A Y E -bF 5 153A 39 -105,-3.3 -103,-2.3 -2,-0.4 2,-0.5 -0.920 32.2-179.3-101.1 103.8 -6.5 21.6 0.8 110 110 A I E -bF 6 152A 0 42,-2.2 42,-3.6 -2,-0.7 2,-0.7 -0.912 24.5-158.4-114.0 126.5 -6.4 20.7 -2.9 111 111 A T E -bF 7 151A 0 -105,-2.8 -103,-2.2 -2,-0.5 2,-0.8 -0.915 16.9-152.1 -95.5 111.8 -8.9 21.7 -5.5 112 112 A V E -bF 8 150A 17 38,-3.0 38,-2.2 -2,-0.7 2,-0.7 -0.802 3.8-150.8 -84.2 113.9 -8.5 19.2 -8.4 113 113 A I E -bF 9 149A 0 -105,-2.5 2,-2.6 -2,-0.8 -103,-0.6 -0.796 13.6-139.7 -84.0 114.2 -9.5 20.9 -11.6 114 114 A E + 0 0 77 34,-2.5 2,-0.3 -2,-0.7 -105,-0.1 -0.303 69.6 72.5 -81.8 60.7 -10.8 18.0 -13.7 115 115 A G S S- 0 0 17 -2,-2.6 -105,-2.3 32,-0.1 2,-0.5 -0.921 79.6-106.2-155.6 178.6 -9.2 19.1 -17.0 116 116 A K + 0 0 149 -2,-0.3 2,-0.3 -107,-0.2 -2,-0.1 -0.945 38.8 176.2-123.0 110.0 -6.0 19.4 -18.9 117 117 A F - 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