==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-FEB-13 4J31 . COMPND 2 MOLECULE: KYNURENINE 3-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.AMARAL,C.LEVY,D.J.HEYES,P.LAFITE,T.F.OUTEIRO,F.GIORGINI,D. . 741 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 71 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 2 0 1 5 1 2 1 2 1 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 2 6 2 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 . 2 2 3 2 6 3 3 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 . 0 4 1 0 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 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 2 A S 0 0 134 0, 0.0 2,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 99.5 34.3 -15.7 -14.4 2 3 A E - 0 0 68 150,-0.0 24,-3.0 151,-0.0 2,-0.4 -0.548 360.0-131.8 -98.8 159.8 35.7 -12.2 -15.2 3 4 A S E -a 26 0A 25 22,-0.2 150,-1.2 -2,-0.2 151,-1.1 -0.875 16.1-162.1-114.5 144.9 38.8 -10.4 -14.0 4 5 A V E -ab 27 154A 0 22,-1.5 24,-2.3 -2,-0.4 2,-0.8 -0.984 13.7-148.6-131.9 130.4 39.0 -6.9 -12.6 5 6 A A E -ab 28 155A 0 149,-1.7 151,-2.0 -2,-0.4 2,-0.7 -0.849 18.4-164.6 -94.3 105.7 42.0 -4.6 -12.1 6 7 A I E -ab 29 156A 0 22,-1.2 24,-2.8 -2,-0.8 2,-0.9 -0.829 6.2-153.1 -95.4 114.2 41.2 -2.4 -9.0 7 8 A I E +ab 30 157A 9 149,-2.4 151,-2.9 -2,-0.7 24,-0.1 -0.760 63.5 41.5 -92.4 104.9 43.6 0.6 -8.9 8 9 A G - 0 0 6 22,-2.1 23,-0.2 -2,-0.9 151,-0.1 0.255 54.9-151.1 125.3 111.4 44.0 1.8 -5.3 9 10 A A + 0 0 1 4,-0.2 22,-0.1 20,-0.1 150,-0.1 -0.150 60.3 118.0 -98.9 37.8 44.5 -0.1 -2.1 10 11 A G S > S- 0 0 26 148,-0.4 4,-2.6 1,-0.0 5,-0.3 -0.084 87.7 -75.9 -84.2-166.6 42.9 2.5 0.1 11 12 A L H > S+ 0 0 13 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.898 132.8 41.6 -61.6 -43.2 39.7 2.1 2.2 12 13 A V H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 116.6 47.6 -72.1 -43.3 37.4 2.3 -0.8 13 14 A G H > S+ 0 0 0 145,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.909 111.5 49.2 -65.5 -44.9 39.5 0.1 -3.1 14 15 A C H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.868 112.5 49.6 -62.3 -37.6 40.1 -2.6 -0.5 15 16 A L H X S+ 0 0 0 -4,-1.4 4,-2.2 -5,-0.3 -2,-0.2 0.923 111.4 47.6 -67.3 -45.7 36.4 -2.7 0.2 16 17 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.896 109.9 53.7 -61.2 -41.2 35.5 -2.9 -3.5 17 18 A A H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.842 109.9 48.4 -61.5 -34.4 38.1 -5.7 -3.9 18 19 A L H X S+ 0 0 15 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.883 111.1 49.1 -72.1 -39.9 36.4 -7.6 -1.1 19 20 A A H X S+ 0 0 4 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.686 112.3 48.5 -76.3 -19.0 33.0 -7.1 -2.6 20 21 A F H X>S+ 0 0 0 -4,-1.5 5,-2.2 2,-0.2 4,-0.6 0.666 110.3 50.5 -92.4 -20.6 34.2 -8.3 -6.0 21 22 A S H <5S+ 0 0 16 -4,-1.0 -2,-0.2 -5,-0.2 98,-0.2 0.796 107.2 56.2 -79.1 -32.3 35.9 -11.4 -4.5 22 23 A K H <5S+ 0 0 127 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.817 108.8 46.9 -65.7 -32.1 32.6 -12.1 -2.7 23 24 A E H <5S- 0 0 79 -4,-0.5 -1,-0.2 -5,-0.1 -2,-0.2 0.635 122.9-101.1 -89.5 -16.4 30.8 -12.2 -6.0 24 25 A G T <5S+ 0 0 42 -4,-0.6 2,-0.2 1,-0.3 -3,-0.2 0.491 70.5 141.6 113.2 5.6 33.3 -14.4 -7.9 25 26 A Y < - 0 0 27 -5,-2.2 2,-1.7 -24,-0.1 -1,-0.3 -0.531 60.1-115.3 -77.6 144.4 35.4 -11.9 -9.9 26 27 A N E -a 3 0A 77 -24,-3.0 -22,-1.5 -2,-0.2 2,-0.2 -0.604 44.5-163.3 -79.6 85.4 39.1 -12.6 -10.3 27 28 A V E -a 4 0A 3 -2,-1.7 94,-1.8 -24,-0.2 2,-0.4 -0.451 18.7-173.2 -79.0 139.7 40.2 -9.4 -8.5 28 29 A T E -ac 5 121A 13 -24,-2.3 -22,-1.2 92,-0.2 2,-0.4 -0.858 13.0-156.4-132.6 99.9 43.7 -8.0 -8.7 29 30 A L E -ac 6 122A 4 92,-2.0 94,-3.0 -2,-0.4 2,-0.3 -0.604 12.4-168.8 -83.0 128.8 44.3 -5.0 -6.3 30 31 A Y E +ac 7 123A 2 -24,-2.8 -22,-2.1 -2,-0.4 2,-0.2 -0.785 15.3 160.4-115.1 158.3 47.1 -2.6 -7.2 31 32 A D E - c 0 124A 19 92,-1.2 95,-2.1 -2,-0.3 94,-1.0 -0.841 34.3-143.0-171.8 139.3 48.8 0.3 -5.4 32 33 A F S S+ 0 0 125 93,-0.3 95,-0.2 -2,-0.2 2,-0.1 0.733 83.2 82.9 -80.6 -22.2 52.2 2.1 -5.9 33 34 A R S S- 0 0 30 93,-0.1 92,-1.3 1,-0.1 93,-0.3 -0.436 90.1-104.8 -75.1 156.6 52.7 2.4 -2.1 34 35 A Q - 0 0 111 90,-0.2 -1,-0.1 1,-0.2 -2,-0.0 -0.187 53.1 -67.2 -74.9 173.0 54.2 -0.5 -0.3 35 36 A D > - 0 0 17 1,-0.2 3,-0.7 2,-0.1 6,-0.3 -0.496 42.2-149.1 -64.0 120.3 52.2 -2.9 1.9 36 37 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.746 95.6 58.3 -64.9 -25.6 51.1 -0.8 5.0 37 38 A R T 3 S+ 0 0 58 72,-0.1 2,-0.1 3,-0.0 -2,-0.1 0.810 86.3 95.8 -73.0 -31.1 51.2 -3.9 7.2 38 39 A L S X S- 0 0 91 -3,-0.7 3,-1.1 1,-0.1 -4,-0.0 -0.385 72.9-141.8 -65.4 135.1 54.9 -4.4 6.4 39 40 A D T 3 S+ 0 0 162 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.714 95.7 65.7 -71.0 -21.6 57.3 -2.9 8.9 40 41 A T T 3 0 0 131 -5,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.558 360.0 360.0 -80.9 -8.6 59.8 -1.8 6.2 41 42 A T < 0 0 98 -3,-1.1 -8,-0.0 -6,-0.3 0, 0.0 -0.501 360.0 360.0 -69.1 360.0 57.4 0.7 4.7 42 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 43 46 A N 0 0 127 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 54.3 49.9 6.9 3.5 44 47 A L - 0 0 78 1,-0.1 3,-0.1 61,-0.0 61,-0.0 -0.916 360.0-174.9-112.7 106.8 47.6 7.7 6.4 45 48 A K S S+ 0 0 81 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.727 79.0 9.0 -71.0 -22.4 45.7 11.0 6.0 46 49 A S - 0 0 22 1,-0.1 -1,-0.2 -3,-0.1 58,-0.2 -0.974 64.8-131.3-157.5 144.9 44.3 10.6 9.5 47 50 A I S S- 0 0 69 -2,-0.3 57,-2.7 57,-0.1 58,-0.6 0.914 93.7 -3.2 -63.8 -43.3 44.9 8.3 12.5 48 51 A N E -F 103 0B 8 55,-0.3 2,-0.3 56,-0.2 55,-0.2 -0.840 66.0-161.8-137.4 179.1 41.2 7.7 12.9 49 52 A L E -F 102 0B 22 53,-1.9 53,-2.2 -2,-0.3 2,-0.6 -0.978 29.2 -96.7-157.1 166.6 37.8 8.8 11.3 50 53 A A E -F 101 0B 20 -2,-0.3 2,-0.5 51,-0.2 269,-0.3 -0.804 32.7-162.7 -93.4 119.5 34.1 8.9 12.0 51 54 A I E -F 100 0B 0 49,-3.3 49,-1.9 -2,-0.6 2,-0.0 -0.897 10.1-149.2-104.5 125.5 32.1 6.1 10.4 52 55 A S E > -F 99 0B 4 -2,-0.5 4,-1.5 47,-0.2 47,-0.2 -0.207 31.9 -98.7 -83.4 176.8 28.3 6.6 10.1 53 56 A A H > S+ 0 0 36 45,-0.9 4,-3.1 1,-0.2 5,-0.2 0.872 125.3 54.9 -61.9 -37.6 25.5 4.0 10.2 54 57 A R H > S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 106.9 49.2 -63.8 -41.6 25.5 4.1 6.4 55 58 A G H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.804 114.1 46.9 -67.7 -30.0 29.2 3.3 6.3 56 59 A I H X S+ 0 0 24 -4,-1.5 4,-2.1 2,-0.2 3,-0.3 0.909 110.0 51.0 -75.7 -45.7 28.6 0.4 8.7 57 60 A D H X S+ 0 0 78 -4,-3.1 4,-2.0 1,-0.3 -2,-0.2 0.845 108.3 53.6 -60.8 -34.8 25.6 -1.0 6.8 58 61 A A H < S+ 0 0 0 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.3 0.812 107.4 51.9 -68.6 -30.9 27.7 -0.9 3.7 59 62 A L H >X S+ 0 0 5 -4,-0.8 4,-2.0 -3,-0.3 3,-0.7 0.887 109.9 48.4 -70.1 -40.6 30.3 -3.0 5.5 60 63 A K H 3< S+ 0 0 102 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.870 102.7 61.7 -66.5 -38.5 27.7 -5.5 6.6 61 64 A S T 3< S+ 0 0 68 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.671 113.5 36.6 -64.3 -16.8 26.3 -5.9 3.1 62 65 A I T <4 S+ 0 0 7 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.752 140.0 1.4-106.0 -35.1 29.6 -7.2 1.9 63 66 A D X + 0 0 29 -4,-2.0 4,-1.4 -5,-0.1 -2,-0.2 -0.609 56.5 176.7-158.2 91.6 30.7 -9.2 4.9 64 67 A P H > S+ 0 0 68 0, 0.0 4,-1.0 0, 0.0 -3,-0.1 0.831 85.0 50.6 -64.0 -34.9 28.4 -9.5 8.0 65 68 A D H > S+ 0 0 130 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.977 114.6 38.0 -69.2 -59.0 30.8 -11.8 9.8 66 69 A A H > S+ 0 0 7 1,-0.2 4,-3.0 2,-0.2 3,-0.2 0.733 105.0 74.9 -66.3 -23.0 34.1 -9.9 9.5 67 70 A C H X S+ 0 0 8 -4,-1.4 4,-3.2 1,-0.2 -1,-0.2 0.951 97.2 41.9 -55.2 -58.5 32.2 -6.6 10.0 68 71 A E H < S+ 0 0 149 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.673 116.3 52.7 -66.9 -16.8 31.6 -7.0 13.8 69 72 A H H >< S+ 0 0 110 -4,-0.6 3,-0.7 -3,-0.2 -1,-0.2 0.861 113.4 41.8 -81.4 -41.5 35.2 -8.3 14.0 70 73 A I H >< S+ 0 0 9 -4,-3.0 3,-0.6 1,-0.2 -2,-0.2 0.929 119.1 43.8 -68.8 -46.9 36.6 -5.3 12.2 71 74 A L G >< S+ 0 0 14 -4,-3.2 3,-0.9 1,-0.2 -1,-0.2 0.068 80.1 109.4 -89.8 25.4 34.5 -2.7 14.0 72 75 A Q G < S+ 0 0 132 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.662 81.2 45.3 -76.1 -15.0 35.0 -4.3 17.4 73 76 A D G < S+ 0 0 89 -3,-0.6 -1,-0.2 -4,-0.1 2,-0.1 0.253 84.8 121.0-111.2 9.8 37.1 -1.4 18.6 74 77 A M < - 0 0 53 -3,-0.9 28,-0.2 28,-0.1 153,-0.1 -0.467 53.4-142.0 -77.0 147.8 34.9 1.4 17.3 75 78 A I E -G 101 0B 29 26,-2.4 26,-3.1 151,-0.2 2,-0.2 -0.947 13.0-133.7-117.0 117.6 33.6 4.0 19.8 76 79 A P E -G 100 0B 79 0, 0.0 2,-0.6 0, 0.0 24,-0.2 -0.436 11.6-144.4 -71.0 137.1 30.1 5.4 19.3 77 80 A M E -G 99 0B 5 22,-2.9 22,-0.7 -2,-0.2 134,-0.2 -0.906 12.1-171.4-103.4 122.5 29.5 9.1 19.6 78 81 A K - 0 0 121 132,-2.5 16,-1.6 -2,-0.6 2,-0.3 0.410 67.2 -41.9 -92.6 2.6 26.2 10.2 21.2 79 82 A G E S-Hi 93 211C 0 131,-0.5 133,-2.3 14,-0.3 2,-0.3 -0.986 71.2 -61.5 166.2-170.7 26.8 13.8 20.3 80 83 A R E -Hi 92 212C 98 12,-3.1 12,-3.5 -2,-0.3 2,-0.6 -0.823 30.5-148.8-104.3 145.2 29.2 16.8 20.0 81 84 A M E -Hi 91 213C 19 131,-2.3 133,-2.6 -2,-0.3 2,-0.5 -0.936 16.4-154.9-114.1 108.5 31.0 18.4 22.9 82 85 A I E -Hi 90 214C 33 8,-2.9 8,-2.0 -2,-0.6 2,-0.6 -0.724 4.8-162.5 -90.1 123.0 31.5 22.1 22.3 83 86 A H E -H 89 0C 0 131,-2.8 6,-0.2 -2,-0.5 2,-0.1 -0.910 11.6-157.1-103.3 120.1 34.5 23.9 24.0 84 87 A D > - 0 0 63 4,-2.0 3,-1.6 -2,-0.6 133,-0.1 -0.289 36.5 -91.3 -88.2 178.7 34.2 27.7 24.2 85 88 A L T 3 S+ 0 0 96 1,-0.3 -1,-0.1 2,-0.1 178,-0.0 0.788 127.6 55.6 -60.7 -30.1 37.0 30.2 24.6 86 89 A K T 3 S- 0 0 189 2,-0.1 -1,-0.3 175,-0.1 175,-0.1 0.629 120.4-111.9 -76.5 -13.9 36.6 30.2 28.3 87 90 A G < + 0 0 21 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.649 66.3 147.9 92.2 17.9 37.1 26.4 28.2 88 91 A R - 0 0 159 2,-0.0 -4,-2.0 1,-0.0 2,-0.4 -0.707 38.8-139.4 -88.4 136.5 33.6 25.4 29.2 89 92 A Q E -H 83 0C 71 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.805 17.9-175.6 -99.5 132.8 32.2 22.2 27.7 90 93 A E E -H 82 0C 101 -8,-2.0 -8,-2.9 -2,-0.4 2,-0.3 -0.995 19.5-135.1-127.0 129.6 28.6 21.9 26.5 91 94 A S E -H 81 0C 57 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.651 16.3-172.6 -86.4 134.2 27.1 18.6 25.2 92 95 A Q E -H 80 0C 92 -12,-3.5 -12,-3.1 -2,-0.3 -2,-0.0 -0.860 15.6-150.6-127.0 96.4 25.0 18.5 22.1 93 96 A L E H 79 0C 115 -2,-0.4 -14,-0.3 -14,-0.3 -15,-0.1 -0.232 360.0 360.0 -66.6 153.7 23.4 15.1 21.5 94 97 A Y 0 0 93 -16,-1.6 -1,-0.1 -17,-0.1 4,-0.1 0.240 360.0 360.0 -76.5 360.0 22.6 13.9 18.0 95 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 96 101 A G 0 0 115 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -67.8 19.9 12.7 13.1 97 102 A E - 0 0 70 -44,-0.0 2,-0.2 -45,-0.0 -45,-0.0 -0.981 360.0-140.9-140.7 125.2 22.8 10.4 12.2 98 103 A A - 0 0 56 -2,-0.4 -45,-0.9 -4,-0.1 2,-0.3 -0.594 19.3-166.0 -85.7 144.1 25.1 8.5 14.7 99 104 A I E -FG 52 77B 15 -22,-0.7 -22,-2.9 -2,-0.2 2,-0.4 -0.889 7.5-150.6-127.7 159.6 28.8 8.1 14.1 100 105 A N E -FG 51 76B 18 -49,-1.9 -49,-3.3 -2,-0.3 2,-0.5 -0.994 16.9-126.9-133.5 136.5 31.6 6.0 15.5 101 106 A S E +FG 50 75B 4 -26,-3.1 -26,-2.4 -2,-0.4 2,-0.3 -0.686 36.2 168.8 -81.9 127.3 35.3 6.6 15.9 102 107 A I E -F 49 0B 6 -53,-2.2 -53,-1.9 -2,-0.5 2,-0.1 -1.000 38.3-105.3-142.0 140.8 37.5 4.0 14.3 103 108 A N E > -F 48 0B 46 -2,-0.3 4,-2.0 -55,-0.2 -55,-0.3 -0.413 23.7-147.4 -65.4 132.0 41.3 3.7 13.6 104 109 A R H > S+ 0 0 49 -57,-2.7 4,-2.6 1,-0.2 5,-0.2 0.942 94.3 47.4 -67.2 -51.7 42.1 4.2 9.9 105 110 A S H > S+ 0 0 38 -58,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.807 113.0 51.4 -63.6 -30.2 45.2 1.9 9.7 106 111 A V H > S+ 0 0 67 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.938 111.5 45.2 -70.8 -48.5 43.4 -0.8 11.6 107 112 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.880 115.6 48.9 -61.2 -39.2 40.3 -0.7 9.3 108 113 A N H X S+ 0 0 7 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.926 114.7 43.3 -67.0 -46.0 42.6 -0.6 6.3 109 114 A N H X S+ 0 0 39 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.853 110.5 55.7 -68.4 -36.7 44.7 -3.6 7.4 110 115 A S H X S+ 0 0 25 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.869 108.3 48.7 -64.2 -37.5 41.7 -5.6 8.5 111 116 A L H X S+ 0 0 0 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.882 111.1 50.5 -67.5 -39.3 40.2 -5.2 5.0 112 117 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.872 108.1 52.6 -65.4 -39.0 43.6 -6.3 3.6 113 118 A D H < S+ 0 0 78 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.876 107.1 52.0 -64.3 -38.8 43.7 -9.4 5.9 114 119 A E H < S+ 0 0 25 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.772 106.5 56.2 -68.6 -26.3 40.2 -10.4 4.7 115 120 A L H >< S+ 0 0 0 -4,-1.1 3,-1.3 1,-0.2 5,-0.3 0.921 102.2 52.5 -71.1 -45.6 41.4 -10.2 1.1 116 121 A E T 3< S+ 0 0 120 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.589 100.1 65.4 -69.8 -9.0 44.3 -12.6 1.6 117 122 A K T 3 S+ 0 0 147 -4,-0.5 -1,-0.3 -3,-0.2 2,-0.2 -0.046 107.5 49.1 -96.1 28.8 41.8 -15.0 3.0 118 123 A S S < S- 0 0 49 -3,-1.3 -96,-0.1 2,-0.2 -3,-0.0 -0.866 103.0 -82.7-151.6-175.3 40.2 -15.1 -0.5 119 124 A T S S+ 0 0 112 -2,-0.2 -3,-0.1 -98,-0.2 -4,-0.1 0.726 85.3 111.3 -70.0 -24.0 41.0 -15.5 -4.2 120 125 A T - 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