==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-SEP-08 3EEM . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA GLABRATA; . AUTHOR J.LIU,A.ANDERSON . 450 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 . 40 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 4 2 2 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 . 4 2 4 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 3 A K 0 0 226 0, 0.0 103,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -19.0 12.9 -17.8 19.0 2 4 A V - 0 0 20 113,-0.0 113,-0.2 114,-0.0 112,-0.1 -0.951 360.0-102.9-101.3 140.4 11.7 -17.1 15.4 3 5 A P - 0 0 47 0, 0.0 113,-2.7 0, 0.0 2,-0.5 -0.323 24.4-147.8 -63.8 140.4 14.6 -17.0 12.9 4 6 A V E -a 116 0A 7 111,-0.2 129,-3.3 127,-0.2 130,-1.4 -0.965 22.6-175.0-104.6 117.5 15.8 -13.6 11.6 5 7 A V E -ab 117 134A 0 111,-3.1 113,-2.3 -2,-0.5 2,-0.3 -0.961 19.2-146.6-126.3 117.6 17.0 -14.0 8.0 6 8 A G E -ab 118 135A 0 128,-2.4 130,-3.4 -2,-0.5 2,-0.4 -0.631 19.5-167.7 -77.7 136.5 18.7 -11.4 5.9 7 9 A I E + b 0 136A 4 111,-2.8 2,-0.3 -2,-0.3 130,-0.2 -0.992 18.4 146.3-137.2 128.8 17.8 -11.8 2.3 8 10 A V E - b 0 137A 8 128,-2.3 130,-2.7 -2,-0.4 2,-0.5 -0.986 42.3-131.9-157.7 152.8 19.5 -9.9 -0.6 9 11 A A E - b 0 138A 16 -2,-0.3 2,-0.4 128,-0.2 130,-0.2 -0.986 35.7-178.2-115.1 120.3 20.7 -10.1 -4.2 10 12 A A E - b 0 139A 0 128,-2.9 130,-3.4 -2,-0.5 2,-0.6 -0.967 24.8-132.5-128.5 136.7 24.4 -9.0 -4.5 11 13 A L E >> -Cb 16 140A 2 5,-2.8 4,-2.1 -2,-0.4 5,-1.5 -0.755 45.0 -96.5 -83.4 119.7 26.8 -8.6 -7.5 12 14 A L T 45S+ 0 0 5 128,-3.1 179,-0.1 -2,-0.6 -1,-0.0 -0.372 90.9 18.6 -75.3 159.3 30.2 -10.1 -7.0 13 15 A P T 45S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 128,-0.0 -0.993 135.0 29.8 -89.8 -11.5 33.0 -9.4 -6.2 14 16 A E T 45S- 0 0 42 -3,-0.2 143,-0.3 437,-0.1 -2,-0.2 0.635 97.5-125.8 -81.0 -12.4 32.0 -6.0 -4.4 15 17 A M T <5 - 0 0 1 -4,-2.1 140,-2.4 1,-0.2 -3,-0.2 0.922 38.2-174.7 64.5 43.2 28.5 -7.2 -3.4 16 18 A G E < +CD 11 154A 0 -5,-1.5 -5,-2.8 138,-0.2 138,-0.3 -0.543 14.0 172.0 -66.9 139.7 26.8 -4.3 -5.1 17 19 A I E + 0 0 15 136,-3.0 2,-0.3 1,-0.3 137,-0.2 0.469 53.9 9.4-128.0 -11.6 23.0 -4.2 -4.4 18 20 A G E - D 0 153A 8 135,-1.1 134,-2.4 5,-0.2 135,-1.2 -0.990 45.0-158.0-165.6 166.4 21.6 -0.9 -5.7 19 21 A F B > S-L 22 0B 48 3,-2.6 3,-1.8 -2,-0.3 132,-0.0 -0.929 79.4 -11.3-156.5 126.2 22.2 2.3 -7.7 20 22 A Q T 3 S- 0 0 141 -2,-0.3 3,-0.1 1,-0.3 131,-0.0 0.790 129.2 -48.7 49.2 39.2 20.2 5.6 -7.5 21 23 A G T 3 S+ 0 0 58 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.402 122.0 83.1 90.4 2.1 17.4 4.1 -5.3 22 24 A N B < S-L 19 0B 98 -3,-1.8 -3,-2.6 38,-0.0 -1,-0.3 -0.842 86.9 -88.2-134.0 164.3 16.7 1.0 -7.4 23 25 A L - 0 0 95 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.506 35.5-130.9 -68.7 140.9 18.0 -2.5 -8.0 24 26 A P S S+ 0 0 24 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.466 86.4 27.2 -79.9 -1.7 20.8 -2.5 -10.7 25 27 A W - 0 0 21 124,-0.1 2,-0.4 2,-0.1 -2,-0.1 -0.913 67.3-137.2-144.3 170.4 19.2 -5.4 -12.7 26 28 A R + 0 0 113 -2,-0.3 2,-0.5 4,-0.0 3,-0.1 -0.894 29.4 169.2-135.9 104.3 15.7 -6.8 -13.3 27 29 A L > - 0 0 1 -2,-0.4 4,-2.7 1,-0.1 3,-0.5 -0.956 21.1-163.0-125.0 107.3 15.8 -10.5 -13.1 28 30 A A H > S+ 0 0 60 -2,-0.5 4,-1.9 1,-0.3 -1,-0.1 0.837 91.1 53.0 -66.4 -28.6 12.3 -12.2 -13.1 29 31 A K H > S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.837 108.6 46.5 -72.4 -36.3 13.8 -15.4 -11.8 30 32 A E H > S+ 0 0 17 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.938 112.3 52.4 -72.5 -48.0 15.6 -13.9 -8.9 31 33 A M H X S+ 0 0 66 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.841 107.1 53.1 -51.8 -39.9 12.4 -11.9 -8.0 32 34 A K H X S+ 0 0 91 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.916 108.5 49.7 -66.3 -47.1 10.4 -15.1 -8.1 33 35 A Y H X S+ 0 0 14 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.951 112.6 46.3 -49.0 -58.0 12.8 -16.8 -5.7 34 36 A F H X S+ 0 0 32 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.924 114.4 49.8 -56.0 -45.2 12.6 -13.8 -3.3 35 37 A R H X S+ 0 0 114 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.959 114.3 42.4 -55.4 -57.3 8.8 -13.8 -3.6 36 38 A E H X S+ 0 0 41 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.869 114.3 49.6 -59.3 -39.5 8.4 -17.5 -2.9 37 39 A V H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.956 116.0 41.2 -71.5 -46.3 10.9 -17.7 -0.0 38 40 A T H < S+ 0 0 0 -4,-2.2 10,-0.3 -5,-0.3 -1,-0.2 0.755 122.5 41.9 -71.3 -28.4 9.5 -14.7 1.9 39 41 A T H < S+ 0 0 38 -4,-2.0 9,-0.3 -5,-0.3 -2,-0.2 0.948 98.2 79.7 -79.5 -60.0 5.9 -15.7 1.2 40 42 A L < - 0 0 51 -4,-2.4 2,-0.3 -5,-0.2 3,-0.1 -0.128 56.5-171.1 -58.5 143.8 5.9 -19.5 1.7 41 43 A T - 0 0 29 1,-0.1 137,-0.1 5,-0.1 3,-0.1 -0.923 31.4-135.9-131.3 152.9 5.8 -21.1 5.1 42 44 A N S S+ 0 0 94 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.800 103.2 56.2 -73.8 -30.7 6.2 -24.7 6.3 43 45 A D S > S- 0 0 57 1,-0.1 3,-2.3 -3,-0.1 -1,-0.2 -0.907 78.1-152.8-109.1 114.8 3.2 -24.1 8.5 44 46 A N T 3 S+ 0 0 157 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.629 92.7 58.8 -60.3 -24.8 0.0 -22.9 6.5 45 47 A S T 3 S+ 0 0 62 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.455 99.0 73.8 -86.2 -3.0 -1.5 -21.0 9.5 46 48 A K < - 0 0 54 -3,-2.3 2,-0.3 67,-0.1 67,-0.2 -0.701 60.6-159.7-102.6 162.6 1.6 -18.8 9.8 47 49 A Q E -e 113 0A 74 65,-1.8 67,-1.7 -2,-0.2 2,-0.3 -0.848 19.7-120.5-120.2 167.8 3.0 -15.8 7.7 48 50 A N E - 0 0 1 21,-0.4 23,-2.5 -9,-0.3 2,-0.4 -0.707 20.5-126.9 -99.1 160.4 6.5 -14.3 7.5 49 51 A V E -ef 116 71A 0 66,-2.2 68,-2.9 -2,-0.3 2,-0.4 -0.822 14.3-158.1-100.0 146.8 7.4 -10.7 8.3 50 52 A V E -ef 117 72A 0 21,-3.0 23,-3.3 -2,-0.4 2,-0.4 -0.995 10.4-165.8-122.2 123.0 9.3 -8.6 5.8 51 53 A I E +ef 118 73A 0 66,-3.2 68,-2.4 -2,-0.4 69,-0.4 -0.885 14.8 165.2-109.9 133.3 11.1 -5.7 7.4 52 54 A M E - f 0 74A 0 21,-2.6 23,-2.3 -2,-0.4 69,-0.3 -0.995 35.7-107.1-147.2 150.6 12.5 -2.8 5.2 53 55 A G E > - f 0 75A 8 67,-1.9 4,-2.2 -2,-0.3 3,-0.4 -0.390 41.3-103.8 -73.4 162.2 13.9 0.7 5.6 54 56 A R H > S+ 0 0 97 21,-1.9 4,-2.1 1,-0.2 5,-0.1 0.841 119.0 53.4 -53.0 -39.6 11.8 3.7 4.4 55 57 A K H > S+ 0 0 136 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.880 107.7 49.7 -71.8 -38.3 13.8 4.2 1.2 56 58 A T H >> S+ 0 0 35 -3,-0.4 3,-0.9 2,-0.2 4,-0.9 0.934 109.7 52.3 -57.6 -49.5 13.4 0.6 0.1 57 59 A W H >< S+ 0 0 32 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.887 106.4 54.2 -52.0 -48.0 9.6 0.8 0.7 58 60 A E H 3< S+ 0 0 112 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.727 105.1 54.9 -64.4 -21.0 9.5 4.0 -1.5 59 61 A S H << S+ 0 0 46 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.681 83.2 96.4 -85.2 -20.2 11.2 2.2 -4.4 60 62 A I S << S- 0 0 26 -3,-0.9 5,-0.1 -4,-0.9 -38,-0.0 -0.552 92.6 -99.8 -69.8 130.5 8.7 -0.7 -4.6 61 63 A P > - 0 0 81 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.285 30.9-119.4 -53.2 136.9 6.1 0.0 -7.3 62 64 A Q G > S+ 0 0 155 1,-0.3 3,-0.6 2,-0.2 -2,-0.1 0.711 110.8 52.6 -43.4 -39.3 2.9 1.4 -5.8 63 65 A K G 3 S+ 0 0 185 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.659 109.5 52.1 -73.8 -20.2 0.6 -1.4 -7.1 64 66 A F G < S+ 0 0 127 -3,-2.1 -1,-0.2 3,-0.1 -2,-0.2 0.441 90.4 123.4-101.0 -1.3 3.0 -4.0 -5.6 65 67 A R < + 0 0 59 -3,-0.6 2,-0.1 -4,-0.5 -8,-0.0 -0.921 55.2 38.7-115.8 145.2 3.1 -2.7 -2.0 66 68 A P S S- 0 0 43 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.520 101.3-114.0 -74.3 155.2 2.6 -3.8 0.6 67 69 A L > - 0 0 21 -2,-0.1 3,-1.0 1,-0.1 -2,-0.1 -0.364 42.4-109.0 -61.6 124.6 4.1 -7.1 -0.5 68 70 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.193 88.0 9.0 -60.7 142.2 1.2 -9.6 -0.4 69 71 A K T 3 S+ 0 0 166 1,-0.2 -21,-0.4 -3,-0.1 2,-0.3 0.539 108.6 92.1 71.7 14.4 0.6 -12.4 2.0 70 72 A R S < S- 0 0 14 -3,-1.0 2,-0.6 -23,-0.1 -21,-0.2 -0.978 83.7-110.3-131.3 148.1 3.4 -11.2 4.3 71 73 A I E -f 49 0A 37 -23,-2.5 -21,-3.0 -2,-0.3 2,-0.5 -0.691 39.5-149.2 -72.7 117.7 3.4 -8.9 7.3 72 74 A N E -fg 50 90A 1 17,-1.8 19,-2.4 -2,-0.6 2,-0.5 -0.826 14.5-171.7 -94.8 129.1 5.2 -5.7 6.1 73 75 A V E -fg 51 91A 0 -23,-3.3 -21,-2.6 -2,-0.5 2,-0.5 -0.972 2.7-166.7-118.1 128.6 7.2 -3.5 8.4 74 76 A V E -fg 52 92A 0 17,-3.0 19,-2.5 -2,-0.5 2,-0.5 -0.961 9.3-152.0-113.5 129.5 8.7 -0.2 7.4 75 77 A V E +fg 53 93A 16 -23,-2.3 -21,-1.9 -2,-0.5 2,-0.3 -0.889 25.4 154.8-107.4 125.2 11.3 1.5 9.6 76 78 A S > - 0 0 16 17,-2.5 3,-1.3 -2,-0.5 -2,-0.0 -0.976 42.7-137.0-142.9 138.2 11.7 5.3 9.7 77 79 A R T 3 S+ 0 0 68 -2,-0.3 17,-0.1 1,-0.2 -1,-0.1 0.668 106.6 61.2 -68.3 -15.3 13.1 7.4 12.5 78 80 A S T 3 S+ 0 0 103 15,-0.1 -1,-0.2 -3,-0.0 16,-0.1 0.446 87.0 97.2 -90.8 3.6 10.3 9.9 11.9 79 81 A F S < S- 0 0 42 -3,-1.3 -4,-0.0 14,-0.2 3,-0.0 -0.295 77.0-121.3 -82.8 175.9 7.7 7.2 12.7 80 82 A D + 0 0 124 -2,-0.1 2,-0.3 4,-0.1 13,-0.1 0.815 68.6 13.1 -93.3 -42.0 6.1 6.9 16.2 81 83 A G S S- 0 0 27 11,-0.2 13,-2.9 3,-0.1 14,-0.3 -0.801 75.6 -95.6-126.5 156.7 6.6 3.5 18.1 82 84 A E S S- 0 0 95 11,-0.3 13,-0.2 -2,-0.3 2,-0.2 0.672 113.5 -2.6 -14.3 -46.5 8.5 0.3 18.1 83 85 A L S S+ 0 0 50 10,-0.1 2,-0.4 19,-0.1 10,-0.2 -0.574 71.5 162.9-177.3 107.1 5.5 -1.3 16.2 84 86 A R E -H 92 0A 131 8,-1.8 8,-2.7 -3,-0.2 2,-0.3 -0.995 36.3-124.4-135.9 129.0 2.2 0.2 15.2 85 87 A K E +H 91 0A 116 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.595 33.1 168.4 -69.1 131.7 -0.4 -0.9 12.6 86 88 A V E - 0 0 54 4,-3.1 2,-0.3 1,-0.5 5,-0.2 0.610 63.8 -8.1-115.3 -23.8 -0.9 1.9 10.2 87 89 A E E > S-H 90 0A 123 3,-1.5 3,-2.2 0, 0.0 -1,-0.5 -0.935 97.2 -59.4-160.1 169.5 -2.9 0.1 7.4 88 90 A D T 3 S+ 0 0 135 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.419 128.1 4.9 -61.3 122.9 -3.9 -3.4 6.4 89 91 A G T 3 S+ 0 0 34 -2,-0.3 -17,-1.8 1,-0.1 2,-0.5 0.428 114.5 106.9 83.8 -1.2 -0.7 -5.4 6.0 90 92 A I E < +gH 72 87A 13 -3,-2.2 -4,-3.1 -19,-0.1 -3,-1.5 -0.954 39.7 174.5-125.6 121.9 1.4 -2.4 7.2 91 93 A Y E -gH 73 85A 75 -19,-2.4 -17,-3.0 -2,-0.5 2,-0.4 -0.931 16.9-149.1-112.7 142.0 3.3 -1.6 10.4 92 94 A H E -gH 74 84A 45 -8,-2.7 -8,-1.8 -2,-0.4 2,-0.4 -0.882 15.0-175.7-103.9 141.9 5.5 1.4 11.0 93 95 A S E -g 75 0A 0 -19,-2.5 -17,-2.5 -2,-0.4 -11,-0.3 -0.999 26.9-160.8-135.6 139.8 8.6 1.3 13.3 94 96 A N S S+ 0 0 16 -13,-2.9 2,-0.3 -2,-0.4 -12,-0.2 0.380 86.3 48.4 -91.0 10.7 11.0 4.0 14.5 95 97 A S > - 0 0 6 -14,-0.3 4,-2.9 -13,-0.2 5,-0.2 -0.858 56.8-161.4-158.4 105.7 13.5 1.3 15.5 96 98 A L H > S+ 0 0 11 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.935 101.2 44.7 -42.5 -59.3 14.9 -1.8 13.6 97 99 A R H > S+ 0 0 74 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.899 115.4 43.5 -56.1 -48.6 16.1 -3.3 16.9 98 100 A N H > S+ 0 0 36 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.909 110.1 57.2 -74.5 -33.7 13.0 -2.6 19.0 99 101 A C H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 -1,-0.2 0.926 106.1 50.6 -63.8 -36.3 10.7 -3.7 16.2 100 102 A L H X S+ 0 0 13 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.898 111.4 46.9 -62.0 -44.7 12.5 -7.1 16.2 101 103 A T H X S+ 0 0 105 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.918 114.0 49.3 -60.9 -44.1 12.0 -7.5 20.0 102 104 A A H >< S+ 0 0 15 -4,-3.0 3,-1.2 1,-0.2 -2,-0.2 0.957 110.5 49.9 -57.5 -52.2 8.4 -6.5 19.6 103 105 A L H 3< S+ 0 0 12 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.775 106.2 58.0 -57.3 -30.0 8.0 -9.0 16.7 104 106 A Q H 3< S+ 0 0 56 -4,-1.6 2,-0.5 -5,-0.1 -1,-0.2 0.595 75.6 110.4 -77.8 -13.4 9.5 -11.8 18.9 105 107 A S S+ 0 0 62 -2,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.777 93.9 60.9 -59.3 -30.3 4.9 -14.7 21.7 107 109 A L H 4 S+ 0 0 159 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.946 113.5 33.7 -64.4 -46.2 2.2 -12.7 23.5 108 110 A A H 4 S+ 0 0 77 -6,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.877 127.8 38.5 -71.2 -39.6 1.9 -10.2 20.6 109 111 A N H >< S- 0 0 20 -4,-2.8 3,-2.3 -7,-0.2 -3,-0.2 0.597 87.5-144.9 -96.7 -12.6 2.6 -12.7 17.8 110 112 A E T 3< - 0 0 159 -4,-2.1 -4,-0.1 1,-0.3 -3,-0.1 0.711 63.2 -74.6 55.6 27.6 0.7 -15.7 19.1 111 113 A N T 3 S+ 0 0 101 -6,-0.2 -1,-0.3 -5,-0.1 -5,-0.1 0.850 108.3 121.5 52.2 35.8 3.5 -18.0 17.6 112 114 A K < + 0 0 95 -3,-2.3 -65,-1.8 -6,-0.1 2,-0.6 0.223 44.4 86.6-112.2 15.7 2.0 -17.2 14.2 113 115 A I E - e 0 47A 11 -67,-0.2 -65,-0.2 1,-0.2 3,-0.1 -0.989 54.2-171.8-100.3 119.5 5.1 -15.6 12.5 114 116 A E E - 0 0 30 -67,-1.7 2,-0.3 -2,-0.6 -66,-0.2 0.948 65.5 -6.6 -55.1 -65.7 7.3 -18.3 11.0 115 117 A R E - 0 0 28 -68,-0.2 -66,-2.2 -113,-0.2 2,-0.5 -0.959 58.4-131.3-137.3 160.9 10.3 -16.2 10.1 116 118 A I E -ae 4 49A 0 -113,-2.7 -111,-3.1 -2,-0.3 2,-0.6 -0.969 24.6-160.6-109.4 110.5 11.4 -12.6 10.0 117 119 A Y E -ae 5 50A 0 -68,-2.9 -66,-3.2 -2,-0.5 2,-0.7 -0.890 8.8-152.6 -92.9 119.6 13.0 -11.5 6.6 118 120 A I E -ae 6 51A 0 -113,-2.3 -111,-2.8 -2,-0.6 -66,-0.2 -0.881 16.7-179.0 -90.5 114.8 15.1 -8.4 6.5 119 121 A I - 0 0 17 -68,-2.4 -67,-0.2 -2,-0.7 2,-0.1 0.216 32.3-169.4-113.7 11.9 14.7 -7.3 2.9 120 122 A G - 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