==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-NOV-91 1DRA . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.J.OATLEY,J.KRAUT . 320 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 13.1 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 35 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 16.2 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 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 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 PARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 2 2 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 2 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 90,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 149.0 25.1 58.2 4.9 2 2 A I E -ab 91 107A 21 104,-0.5 106,-2.8 88,-0.2 107,-1.2 -0.872 360.0-175.5-105.7 134.3 23.2 56.6 7.8 3 3 A S E -ab 92 109A 0 88,-2.7 90,-3.0 -2,-0.4 2,-0.4 -0.951 15.6-145.7-129.6 144.1 24.8 56.4 11.3 4 4 A L E -ab 93 110A 0 105,-1.8 107,-2.7 -2,-0.3 2,-0.4 -0.904 12.7-166.4-107.6 140.8 23.4 54.7 14.5 5 5 A I E + b 0 111A 0 88,-2.5 2,-0.3 -2,-0.4 107,-0.2 -0.998 19.0 160.6-128.2 128.9 24.2 56.4 17.8 6 6 A A E - b 0 112A 0 105,-2.1 107,-2.0 -2,-0.4 2,-0.5 -0.989 38.0-138.4-150.4 155.4 23.6 54.4 21.0 7 7 A A E - b 0 113A 12 -2,-0.3 2,-0.4 105,-0.2 8,-0.3 -0.986 32.2-167.6-113.8 118.9 24.5 54.2 24.7 8 8 A L E - b 0 114A 2 105,-3.4 107,-3.0 -2,-0.5 6,-0.2 -0.930 11.7-151.9-114.9 141.7 25.0 50.6 25.7 9 9 A A > - 0 0 5 4,-3.1 3,-1.6 -2,-0.4 4,-0.3 -0.233 56.4 -49.3 -91.9-174.0 25.3 49.0 29.2 10 10 A V G > S+ 0 0 42 107,-2.8 3,-1.2 1,-0.3 109,-0.3 -0.228 132.2 19.8 -57.0 144.1 27.4 45.8 29.8 11 11 A D G 3 S- 0 0 128 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.715 129.9 -76.9 67.3 19.8 26.5 43.0 27.4 12 12 A R G < S+ 0 0 80 -3,-1.6 113,-2.5 1,-0.2 -1,-0.3 0.703 78.1 167.2 65.0 24.7 25.1 45.6 25.0 13 13 A V B < -H 124 0B 8 -3,-1.2 -4,-3.1 -4,-0.3 2,-0.3 -0.511 11.2-174.2 -71.3 139.0 21.8 46.0 27.0 14 14 A I - 0 0 9 109,-1.9 109,-0.3 -6,-0.2 108,-0.1 -0.851 31.5 -79.8-130.2 163.4 19.8 49.0 25.9 15 15 A G - 0 0 30 -2,-0.3 82,-0.5 -8,-0.3 81,-0.2 -0.234 33.8-177.6 -64.6 151.7 16.6 50.7 27.2 16 16 A M S S- 0 0 109 2,-0.4 -1,-0.1 80,-0.1 29,-0.1 0.712 72.4 -40.6-113.4 -57.7 13.3 49.2 26.3 17 17 A E S S+ 0 0 105 1,-0.3 2,-0.1 287,-0.1 3,-0.1 0.484 116.4 70.4-143.3 -51.4 10.7 51.6 27.8 18 18 A N S S- 0 0 75 1,-0.1 -2,-0.4 288,-0.1 -1,-0.3 -0.440 93.5 -90.3 -76.7 153.8 11.8 52.8 31.4 19 19 A A - 0 0 15 285,-2.3 -1,-0.1 288,-0.4 287,-0.1 -0.230 47.8-102.6 -60.1 148.2 14.7 55.3 31.7 20 20 A M - 0 0 31 285,-0.1 2,-2.1 1,-0.1 288,-0.2 -0.490 31.6-111.9 -73.7 144.4 18.2 53.7 32.1 21 21 A P S S+ 0 0 33 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.426 83.5 86.2 -78.0 66.4 19.6 53.6 35.7 22 22 A W - 0 0 25 -2,-2.1 2,-0.4 95,-0.0 286,-0.1 -0.970 61.9-144.1-156.6 160.9 22.5 56.1 35.2 23 23 A N + 0 0 65 -2,-0.3 125,-2.3 156,-0.1 126,-0.2 -0.912 32.6 157.1-131.9 99.8 23.1 59.9 35.3 24 24 A L >> + 0 0 6 -2,-0.4 4,-1.9 123,-0.2 3,-0.8 -0.661 11.6 166.8-131.2 78.5 25.6 60.9 32.6 25 25 A P H 3> S+ 0 0 55 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.777 83.0 57.9 -59.6 -31.1 25.4 64.5 31.6 26 26 A A H 3> S+ 0 0 28 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.830 105.0 51.6 -67.9 -30.0 28.7 64.2 29.7 27 27 A E H <> S+ 0 0 2 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.900 108.6 49.5 -72.6 -42.0 27.2 61.4 27.7 28 28 A L H X S+ 0 0 60 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.813 107.7 55.5 -65.4 -29.4 24.2 63.6 26.7 29 29 A A H X S+ 0 0 51 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.904 108.2 47.9 -68.1 -40.1 26.6 66.3 25.7 30 30 A W H X S+ 0 0 7 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.891 111.4 51.6 -62.3 -44.5 28.3 63.9 23.4 31 31 A F H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.926 111.8 46.1 -59.2 -46.7 24.9 62.9 22.0 32 32 A K H >X S+ 0 0 102 -4,-2.8 4,-2.4 1,-0.2 3,-1.0 0.943 109.8 52.4 -65.2 -46.6 24.0 66.6 21.4 33 33 A R H 3< S+ 0 0 155 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.883 113.8 44.7 -57.5 -37.7 27.4 67.5 19.7 34 34 A N H 3< S+ 0 0 23 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.600 120.0 36.9 -84.6 -11.8 27.0 64.5 17.3 35 35 A T H X< S+ 0 0 0 -3,-1.0 3,-1.5 -4,-0.9 -2,-0.2 0.584 83.1 118.2-114.0 -15.5 23.3 65.0 16.4 36 36 A L T 3< S+ 0 0 60 -4,-2.4 21,-0.2 1,-0.3 20,-0.1 -0.204 83.5 12.4 -56.5 139.4 22.9 68.8 16.3 37 37 A D T 3 S+ 0 0 139 19,-2.2 -1,-0.3 1,-0.2 20,-0.2 0.694 111.7 96.3 68.4 23.6 21.9 70.2 12.9 38 38 A K S < S- 0 0 48 -3,-1.5 20,-0.8 18,-0.2 -1,-0.2 -0.904 81.9 -99.7-136.0 159.3 21.1 66.7 11.5 39 39 A P E -c 58 0A 6 0, 0.0 53,-2.6 0, 0.0 2,-0.4 -0.574 36.3-156.2 -78.8 143.7 17.8 64.8 11.1 40 40 A V E -cd 59 92A 0 18,-2.8 20,-2.7 -2,-0.2 2,-0.4 -0.988 3.6-156.2-124.6 134.7 17.3 62.1 13.9 41 41 A I E +cd 60 93A 0 51,-2.3 53,-3.0 -2,-0.4 54,-0.4 -0.954 22.5 163.8-112.1 132.8 15.1 59.0 13.5 42 42 A M E -c 61 0A 0 18,-2.0 20,-2.5 -2,-0.4 54,-0.3 -0.931 32.6-118.1-143.7 162.4 13.7 57.4 16.6 43 43 A G E > -c 62 0A 8 52,-1.8 4,-1.9 -2,-0.3 20,-0.2 -0.323 43.3 -92.6 -93.2 177.5 10.9 54.9 17.5 44 44 A R H > S+ 0 0 60 18,-0.5 4,-1.9 1,-0.2 5,-0.1 0.825 121.3 52.9 -64.0 -36.3 7.9 55.7 19.8 45 45 A H H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 109.4 49.6 -69.3 -40.5 9.4 54.6 23.1 46 46 A T H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.932 108.6 54.3 -61.6 -43.7 12.5 56.8 22.6 47 47 A W H X S+ 0 0 19 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.910 108.5 48.6 -56.3 -44.7 10.2 59.7 21.7 48 48 A E H < S+ 0 0 102 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.859 109.7 51.8 -66.2 -37.0 8.3 59.3 25.0 49 49 A S H < S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.778 110.9 47.8 -68.9 -31.4 11.5 59.1 27.0 50 50 A I H < S- 0 0 9 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.922 90.0-159.6 -75.3 -46.0 12.8 62.4 25.4 51 51 A G < + 0 0 44 -4,-2.4 -3,-0.1 -5,-0.2 -4,-0.1 0.380 60.3 33.2 86.3 -2.5 9.5 64.1 26.1 52 52 A R S S- 0 0 104 -5,-0.2 2,-0.1 19,-0.0 -2,-0.0 -0.938 98.3 -73.2-169.7 164.8 9.8 66.9 23.5 53 53 A P - 0 0 28 0, 0.0 5,-0.0 0, 0.0 19,-0.0 -0.434 53.5-113.4 -66.5 137.8 11.3 67.6 20.1 54 54 A L > - 0 0 2 -2,-0.1 3,-1.1 1,-0.1 5,-0.1 -0.648 37.6-119.0 -75.8 128.5 15.2 67.8 20.2 55 55 A P T 3 S+ 0 0 71 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.314 91.0 20.4 -66.3 146.8 16.0 71.4 19.4 56 56 A G T 3 S+ 0 0 49 1,-0.2 -19,-2.2 -20,-0.1 2,-0.3 0.614 109.1 90.4 74.5 9.2 18.2 72.1 16.3 57 57 A R S < S- 0 0 22 -3,-1.1 2,-0.7 -20,-0.2 -1,-0.2 -0.961 81.6-115.5-136.8 152.7 17.4 68.7 14.7 58 58 A K E -c 39 0A 100 -20,-0.8 -18,-2.8 -2,-0.3 2,-0.6 -0.821 37.1-147.0 -87.0 114.9 14.7 67.5 12.4 59 59 A N E -c 40 0A 10 -2,-0.7 14,-3.1 12,-0.3 2,-0.5 -0.803 19.1-178.9 -92.5 118.8 12.8 64.9 14.5 60 60 A I E -ce 41 73A 0 -20,-2.7 -18,-2.0 -2,-0.6 2,-0.5 -0.982 10.6-158.3-118.9 124.8 11.3 61.9 12.7 61 61 A I E -ce 42 74A 0 12,-3.2 14,-3.1 -2,-0.5 2,-0.7 -0.936 3.7-155.4-107.4 120.1 9.3 59.3 14.5 62 62 A L E +ce 43 75A 17 -20,-2.5 -18,-0.5 -2,-0.5 2,-0.3 -0.858 39.5 134.9 -94.2 112.0 9.0 55.8 12.9 63 63 A S - 0 0 19 12,-2.8 4,-0.1 -2,-0.7 -2,-0.1 -0.987 57.2-136.8-158.3 156.0 5.8 54.2 14.3 64 64 A S S S+ 0 0 104 -2,-0.3 12,-0.1 2,-0.1 -1,-0.1 0.666 88.2 68.3 -86.5 -23.6 2.7 52.2 13.2 65 65 A Q S S- 0 0 143 1,-0.1 2,-0.3 0, 0.0 -2,-0.2 0.097 95.1 -64.6-100.7-178.7 0.4 54.2 15.3 66 66 A P - 0 0 53 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.686 41.6-102.5 -92.3 149.8 -0.7 57.8 15.0 67 67 A G + 0 0 45 -2,-0.3 7,-0.0 1,-0.2 3,-0.0 -0.445 32.7 179.5 -63.5 99.5 1.0 61.1 15.2 68 68 A T + 0 0 84 -2,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.998 67.3 44.7 -61.1 -63.3 0.1 62.6 18.6 69 69 A D > - 0 0 32 1,-0.1 3,-0.6 4,-0.0 -1,-0.1 -0.595 60.4-153.9 -93.2 138.4 2.2 65.8 18.0 70 70 A D T 3 S+ 0 0 152 -2,-0.3 -1,-0.1 1,-0.2 4,-0.0 0.545 84.6 78.1 -85.4 -10.7 2.5 68.2 15.1 71 71 A R T 3 S+ 0 0 150 2,-0.0 -12,-0.3 -18,-0.0 2,-0.3 0.531 97.6 43.3 -78.1 -7.8 6.0 69.5 16.0 72 72 A V S < S- 0 0 14 -3,-0.6 2,-0.6 -14,-0.1 -12,-0.2 -0.818 89.4-100.4-130.5 170.6 7.7 66.3 14.6 73 73 A T E -e 60 0A 47 -14,-3.1 -12,-3.2 -2,-0.3 2,-0.5 -0.880 27.7-155.5-101.8 126.1 7.4 64.1 11.5 74 74 A W E +e 61 0A 57 -2,-0.6 2,-0.3 -14,-0.2 -12,-0.2 -0.866 17.3 176.2 -99.1 122.2 5.5 60.8 11.9 75 75 A V E -e 62 0A 11 -14,-3.1 -12,-2.8 -2,-0.5 3,-0.1 -0.894 25.6-156.2-124.0 153.9 6.5 58.1 9.3 76 76 A K S S+ 0 0 61 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.1 0.504 73.9 37.9-106.2 -7.6 5.2 54.5 9.1 77 77 A S S > S- 0 0 38 1,-0.1 4,-2.1 -13,-0.0 5,-0.2 -0.975 75.3-116.5-145.0 159.0 8.2 52.9 7.2 78 78 A V H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.905 116.2 52.9 -55.7 -46.6 12.0 53.0 6.8 79 79 A D H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.930 109.9 48.3 -57.8 -47.8 11.7 54.2 3.3 80 80 A E H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.803 108.6 53.8 -60.3 -38.2 9.5 57.1 4.4 81 81 A A H X S+ 0 0 0 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.933 110.0 47.1 -62.2 -48.2 11.9 58.0 7.2 82 82 A I H >X S+ 0 0 51 -4,-2.6 3,-1.5 1,-0.2 4,-0.6 0.933 111.4 51.2 -59.1 -47.1 14.8 58.2 4.8 83 83 A A H >< S+ 0 0 76 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.893 104.0 58.3 -56.6 -45.0 12.7 60.3 2.3 84 84 A A H 3< S+ 0 0 24 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.594 96.1 65.2 -62.3 -16.6 11.7 62.7 5.1 85 85 A C H << S- 0 0 10 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.768 89.3-158.0 -78.6 -25.0 15.4 63.5 5.7 86 86 A G << - 0 0 46 -3,-1.4 2,-0.9 -4,-0.6 -1,-0.2 -0.460 49.6 -33.5 79.7-156.6 16.0 65.1 2.3 87 87 A D S S+ 0 0 171 -2,-0.1 -1,-0.1 3,-0.0 -4,-0.0 -0.810 82.3 143.6-109.8 95.6 19.5 65.2 1.0 88 88 A V - 0 0 49 -2,-0.9 3,-0.1 1,-0.1 -50,-0.0 -0.865 57.1-117.1-124.9 159.8 21.9 65.6 3.9 89 89 A P S S+ 0 0 112 0, 0.0 2,-0.4 0, 0.0 -51,-0.1 0.777 95.7 20.7 -68.7 -34.7 25.3 64.2 4.5 90 90 A E - 0 0 21 2,-0.0 2,-0.4 -88,-0.0 -88,-0.2 -0.973 57.7-161.8-149.2 130.6 24.4 62.2 7.6 91 91 A I E -a 2 0A 12 -90,-2.6 -88,-2.7 -2,-0.4 2,-0.5 -0.912 19.5-145.1-106.2 128.8 21.2 60.8 9.1 92 92 A M E -ad 3 40A 0 -53,-2.6 -51,-2.3 -2,-0.4 2,-0.6 -0.877 5.9-159.6-101.3 127.2 21.4 59.9 12.8 93 93 A V E -ad 4 41A 0 -90,-3.0 -88,-2.5 -2,-0.5 -51,-0.2 -0.930 10.6-179.0-103.8 120.0 19.4 56.9 14.0 94 94 A I - 0 0 2 -53,-3.0 -52,-0.2 -2,-0.6 2,-0.1 0.247 33.2-168.1-107.8 14.1 18.9 57.2 17.8 95 95 A G - 0 0 0 -54,-0.4 -52,-1.8 1,-0.3 -1,-0.3 -0.335 50.6-145.4 102.9-178.1 17.0 54.1 18.7 96 96 A G > - 0 0 20 -54,-0.3 4,-2.6 -81,-0.2 3,-0.4 0.327 60.1 -88.7 -82.7-155.5 15.3 52.1 20.2 97 97 A G H > S+ 0 0 9 -82,-0.5 4,-2.2 1,-0.2 5,-0.2 0.850 123.0 44.1 -43.1 -59.2 16.1 48.4 19.6 98 98 A R H > S+ 0 0 143 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.862 113.1 53.9 -63.3 -33.1 13.7 47.7 16.6 99 99 A V H > S+ 0 0 8 -3,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.932 108.4 48.4 -67.2 -45.5 14.8 50.9 15.0 100 100 A Y H X S+ 0 0 10 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.899 110.0 53.5 -60.6 -39.1 18.5 50.0 15.2 101 101 A E H < S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.866 109.0 48.8 -61.6 -38.9 17.7 46.5 13.8 102 102 A Q H < S+ 0 0 70 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.789 119.8 35.6 -70.1 -34.8 15.9 48.1 10.8 103 103 A F H >X S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.1 4,-0.9 0.649 92.4 85.6 -97.3 -18.0 18.7 50.5 9.9 104 104 A L G >< S+ 0 0 23 -4,-2.2 3,-1.0 1,-0.3 -1,-0.1 0.867 86.2 57.4 -52.3 -44.2 21.9 48.5 10.8 105 105 A P G 34 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.818 113.8 40.9 -53.9 -37.0 22.0 46.9 7.3 106 106 A K G <4 S+ 0 0 75 -3,-1.1 -104,-0.5 -4,-0.2 -2,-0.2 0.479 93.3 112.6 -90.7 -7.1 22.1 50.4 5.8 107 107 A A E << -b 2 0A 1 -3,-1.0 -104,-0.2 -4,-0.9 3,-0.1 -0.422 37.6-179.7 -78.4 143.1 24.5 52.0 8.3 108 108 A Q E S+ 0 0 111 -106,-2.8 50,-2.6 1,-0.2 2,-0.3 0.588 71.2 32.5-111.3 -15.1 28.0 53.1 7.5 109 109 A K E -bF 3 157A 44 -107,-1.2 -105,-1.8 48,-0.2 2,-0.4 -0.994 57.6-158.6-147.1 150.9 29.0 54.4 10.9 110 110 A L E -bF 4 156A 0 46,-2.3 46,-2.4 -2,-0.3 2,-0.6 -0.997 1.6-166.2-129.1 130.5 28.4 53.7 14.6 111 111 A Y E -bF 5 155A 6 -107,-2.7 -105,-2.1 -2,-0.4 2,-0.4 -0.973 26.6-179.0-112.4 109.2 28.8 56.2 17.5 112 112 A L E -bF 6 154A 0 42,-3.6 42,-2.8 -2,-0.6 2,-0.5 -0.940 25.6-158.9-119.9 142.7 28.7 54.0 20.6 113 113 A T E -bF 7 153A 0 -107,-2.0 -105,-3.4 -2,-0.4 2,-0.6 -0.990 12.7-158.3-115.2 119.1 29.0 54.8 24.3 114 114 A H E -bF 8 152A 56 38,-3.1 38,-2.1 -2,-0.5 2,-0.4 -0.878 12.4-164.4 -99.8 121.4 30.0 51.8 26.4 115 115 A I E - 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