==== 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/OXIDOREDUCTASE INHIBITOR 05-FEB-13 4J36 . 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. . 727 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 524 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 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 . 70 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 1 2 0 3 1 2 2 3 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 1 0 0 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 . 3 3 2 5 3 4 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 . 0 4 0 0 3 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 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 E 0 0 116 0, 0.0 24,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 131.3 -28.9 54.3 105.9 2 4 A S E -a 25 0A 25 22,-0.2 155,-1.1 24,-0.1 156,-1.1 -0.762 360.0-172.8 -99.0 143.0 -26.7 51.6 107.3 3 5 A V E -ab 26 158A 0 22,-2.9 24,-2.3 -2,-0.3 2,-0.6 -0.999 16.2-148.2-134.8 135.5 -22.9 51.4 106.7 4 6 A A E -ab 27 159A 0 154,-2.0 156,-2.7 -2,-0.4 2,-0.6 -0.909 15.0-161.0 -97.6 124.4 -20.4 48.8 107.6 5 7 A I E -ab 28 160A 0 22,-3.0 24,-2.9 -2,-0.6 2,-0.8 -0.938 6.7-150.2-107.8 120.8 -17.0 50.2 108.4 6 8 A I E +ab 29 161A 8 154,-2.6 156,-2.1 -2,-0.6 24,-0.2 -0.800 64.3 28.8 -98.0 109.5 -14.1 47.7 108.2 7 9 A G - 0 0 7 22,-3.8 23,-0.2 -2,-0.8 22,-0.1 0.335 56.6-145.9 112.6 118.2 -11.2 48.5 110.6 8 10 A A + 0 0 6 4,-0.1 22,-0.1 20,-0.1 155,-0.1 -0.198 58.1 121.5-106.4 40.3 -11.2 50.2 113.9 9 11 A G S > S- 0 0 29 153,-0.5 4,-1.9 1,-0.0 5,-0.2 0.076 87.4 -71.1 -76.4-159.8 -7.8 51.9 113.6 10 12 A L H > S+ 0 0 13 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.933 135.6 41.9 -63.6 -46.6 -7.3 55.6 113.8 11 13 A V H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 114.3 50.7 -69.5 -44.1 -9.0 56.3 110.4 12 14 A G H > S+ 0 0 1 150,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.865 110.9 49.1 -61.0 -38.4 -11.8 53.8 110.9 13 15 A C H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.898 112.5 47.3 -70.0 -40.8 -12.7 55.2 114.3 14 16 A L H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.916 112.1 49.9 -65.1 -43.9 -12.8 58.8 113.0 15 17 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.887 110.3 51.1 -61.3 -38.8 -14.9 57.8 110.0 16 18 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.878 111.1 47.9 -66.6 -38.3 -17.3 56.0 112.3 17 19 A L H X S+ 0 0 5 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.936 112.9 48.9 -64.9 -47.7 -17.5 59.1 114.5 18 20 A A H X S+ 0 0 3 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.931 115.1 42.7 -57.9 -50.2 -18.1 61.3 111.4 19 21 A F H <>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 -1,-0.2 0.823 112.7 51.6 -71.4 -32.9 -20.8 59.1 109.9 20 22 A S H ><5S+ 0 0 14 -4,-1.9 3,-1.4 -5,-0.2 -1,-0.2 0.853 105.5 57.2 -71.0 -33.0 -22.6 58.5 113.2 21 23 A K H 3<5S+ 0 0 118 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.802 103.2 54.8 -63.9 -29.5 -22.7 62.2 113.8 22 24 A E T 3<5S- 0 0 119 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.283 125.7-101.9 -90.0 10.1 -24.5 62.6 110.5 23 25 A G T < 5S+ 0 0 63 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.529 72.6 143.4 87.9 6.4 -27.2 60.1 111.6 24 26 A Y < - 0 0 21 -5,-2.0 2,-0.9 1,-0.1 -1,-0.2 -0.362 58.2-113.8 -70.5 156.6 -26.1 57.0 109.7 25 27 A N E -a 2 0A 96 -24,-2.8 -22,-2.9 -2,-0.1 2,-0.4 -0.838 43.5-167.2 -90.7 102.1 -26.4 53.5 111.3 26 28 A V E -a 3 0A 3 -2,-0.9 95,-2.8 -24,-0.2 2,-0.5 -0.775 19.1-172.2 -99.5 130.9 -22.7 52.6 111.7 27 29 A T E -ac 4 121A 10 -24,-2.3 -22,-3.0 -2,-0.4 2,-0.6 -0.992 14.6-154.0-114.8 126.1 -21.4 49.2 112.5 28 30 A L E -ac 5 122A 4 93,-3.2 95,-3.0 -2,-0.5 2,-0.3 -0.876 13.0-170.7-107.0 112.7 -17.6 49.1 113.2 29 31 A Y E +ac 6 123A 2 -24,-2.9 -22,-3.8 -2,-0.6 2,-0.3 -0.788 15.0 158.3-105.0 142.0 -15.8 45.9 112.5 30 32 A D E - c 0 124A 27 93,-1.7 96,-2.2 -2,-0.3 95,-0.5 -0.947 36.1-141.4-153.5 143.9 -12.2 44.8 113.4 31 33 A F S S+ 0 0 74 94,-0.3 96,-0.2 -2,-0.3 114,-0.2 0.700 82.1 85.2 -79.6 -19.3 -10.7 41.3 113.7 32 34 A R S S- 0 0 91 94,-0.2 93,-2.3 1,-0.1 94,-0.3 -0.346 87.9-107.7 -71.7 160.7 -8.6 42.4 116.7 33 35 A Q - 0 0 106 9,-0.2 -1,-0.1 91,-0.2 -2,-0.1 -0.504 53.0 -71.5 -84.0 162.9 -10.0 42.4 120.2 34 36 A D > - 0 0 19 1,-0.2 3,-1.5 -2,-0.2 6,-0.3 -0.360 39.5-151.3 -58.6 117.7 -10.9 45.7 122.0 35 37 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.2 0, 0.0 74,-0.1 0.682 90.9 68.9 -68.3 -16.7 -7.6 47.3 122.9 36 38 A R T 3 S+ 0 0 53 73,-0.1 2,-0.3 3,-0.0 -2,-0.1 0.713 83.1 90.2 -72.9 -20.2 -9.2 49.0 125.9 37 39 A L S X S- 0 0 90 -3,-1.5 3,-1.5 1,-0.1 -4,-0.0 -0.596 74.1-141.9 -82.0 136.1 -9.6 45.7 127.6 38 40 A D T 3 S+ 0 0 143 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.725 101.9 65.9 -66.5 -21.5 -6.8 44.4 129.9 39 41 A T T 3 S+ 0 0 117 -5,-0.1 2,-0.9 1,-0.1 -1,-0.3 0.649 81.9 89.0 -74.3 -15.3 -7.4 40.9 128.6 40 42 A T < + 0 0 12 -3,-1.5 -1,-0.1 -6,-0.3 3,-0.0 -0.762 52.5 174.2 -85.0 108.4 -6.2 42.2 125.1 41 43 A K + 0 0 171 -2,-0.9 2,-0.8 1,-0.1 -1,-0.2 0.851 64.2 64.4 -86.3 -37.7 -2.5 41.6 125.1 42 44 A N + 0 0 95 1,-0.2 -9,-0.2 2,-0.1 -1,-0.1 -0.806 57.3 177.1 -88.7 109.8 -1.7 42.6 121.5 43 45 A K - 0 0 79 -2,-0.8 -1,-0.2 2,-0.1 3,-0.1 0.606 33.9-136.0 -86.2 -13.1 -2.6 46.3 121.2 44 46 A N + 0 0 70 1,-0.2 2,-0.7 2,-0.1 3,-0.1 0.903 42.8 163.5 54.3 44.3 -1.4 46.5 117.6 45 47 A L - 0 0 55 1,-0.2 -1,-0.2 60,-0.0 3,-0.1 -0.851 26.1-170.1 -94.1 113.2 0.4 49.8 118.2 46 48 A K S S+ 0 0 110 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.774 79.2 5.8 -72.2 -26.8 2.8 50.5 115.4 47 49 A S - 0 0 23 1,-0.1 -1,-0.2 -3,-0.1 57,-0.1 -0.980 67.9-128.2-152.1 151.5 4.2 53.3 117.4 48 50 A I S S+ 0 0 65 -2,-0.3 56,-2.8 -3,-0.1 57,-0.6 0.913 92.4 9.8 -68.0 -44.2 3.7 54.7 121.0 49 51 A N E -F 103 0B 10 54,-0.3 2,-0.3 55,-0.1 54,-0.2 -0.839 68.8-145.9-130.1 171.3 3.1 58.2 119.8 50 52 A L E -F 102 0B 21 52,-3.0 52,-2.3 -2,-0.3 2,-0.7 -0.923 21.0-116.6-133.5 160.5 2.5 60.2 116.6 51 53 A A E -F 101 0B 28 -2,-0.3 2,-0.4 50,-0.2 272,-0.3 -0.885 34.2-166.0 -93.1 112.5 3.3 63.6 115.1 52 54 A I E -F 100 0B 0 48,-3.0 48,-2.6 -2,-0.7 2,-0.1 -0.848 5.6-154.9-101.6 138.7 -0.0 65.3 114.4 53 55 A S > - 0 0 29 -2,-0.4 4,-2.6 46,-0.2 5,-0.2 -0.434 34.7 -93.8-104.4 178.3 -0.1 68.4 112.2 54 56 A A H > S+ 0 0 78 44,-0.5 4,-2.7 1,-0.2 5,-0.2 0.897 127.0 51.1 -58.2 -42.4 -2.3 71.4 111.7 55 57 A R H > S+ 0 0 171 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 110.2 49.0 -58.6 -46.8 -4.2 69.5 109.0 56 58 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.912 113.6 45.1 -62.4 -45.5 -4.7 66.5 111.3 57 59 A I H X S+ 0 0 28 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.940 112.4 52.2 -62.7 -47.9 -5.9 68.6 114.2 58 60 A D H X S+ 0 0 80 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.853 106.4 53.9 -57.9 -37.7 -8.2 70.6 111.9 59 61 A A H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.919 110.3 46.8 -62.0 -43.8 -9.7 67.4 110.5 60 62 A L H >X S+ 0 0 5 -4,-1.7 4,-1.9 1,-0.2 3,-0.7 0.905 111.8 52.1 -63.1 -44.1 -10.5 66.2 114.0 61 63 A K H 3< S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.926 104.0 54.2 -58.3 -50.4 -12.0 69.6 114.9 62 64 A S H 3< S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.664 112.4 45.7 -64.6 -16.7 -14.4 69.8 111.9 63 65 A I H << S- 0 0 24 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.830 139.1 -7.9 -93.7 -38.9 -15.9 66.5 112.8 64 66 A D X - 0 0 17 -4,-1.9 4,-2.8 1,-0.1 5,-0.2 -0.563 59.9-176.9-161.8 89.4 -16.3 67.0 116.6 65 67 A P H > S+ 0 0 77 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.859 87.2 49.4 -60.7 -40.3 -14.8 70.2 118.1 66 68 A D H > S+ 0 0 137 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.911 114.5 44.7 -65.1 -43.0 -15.8 69.3 121.7 67 69 A A H > S+ 0 0 5 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.904 110.6 55.2 -67.8 -41.4 -14.4 65.8 121.5 68 70 A C H X S+ 0 0 3 -4,-2.8 4,-2.6 -8,-0.2 -2,-0.2 0.907 107.1 50.0 -55.2 -46.0 -11.2 67.1 119.7 69 71 A E H < S+ 0 0 130 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.901 115.5 43.5 -62.3 -42.4 -10.5 69.5 122.6 70 72 A H H >< S+ 0 0 106 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.926 116.0 46.7 -66.4 -48.5 -11.0 66.6 125.1 71 73 A I H 3< S+ 0 0 6 -4,-3.4 3,-0.4 1,-0.2 -2,-0.2 0.862 117.1 41.0 -66.1 -37.8 -9.0 64.1 123.1 72 74 A L T >< S+ 0 0 14 -4,-2.6 3,-2.2 -5,-0.2 -1,-0.2 0.361 78.7 109.6 -94.6 6.9 -6.0 66.3 122.4 73 75 A Q T < S+ 0 0 132 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.1 0.732 83.1 43.9 -61.8 -22.6 -5.7 68.1 125.7 74 76 A D T 3 S+ 0 0 109 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.268 82.5 127.2-104.6 10.2 -2.4 66.2 126.6 75 77 A M < - 0 0 35 -3,-2.2 27,-0.2 27,-0.1 156,-0.1 -0.347 56.9-133.1 -60.7 147.8 -0.8 66.6 123.2 76 78 A I E -G 101 0B 29 25,-2.3 25,-3.2 154,-0.2 2,-0.3 -0.938 14.0-140.2-111.9 113.4 2.7 68.2 123.4 77 79 A P E -G 100 0B 79 0, 0.0 2,-0.4 0, 0.0 23,-0.2 -0.556 12.0-146.4 -73.4 129.5 3.4 71.0 121.0 78 80 A M - 0 0 7 21,-1.8 21,-0.3 -2,-0.3 137,-0.2 -0.810 12.4-168.6 -96.0 137.0 6.9 71.1 119.4 79 81 A K - 0 0 118 135,-2.5 16,-3.2 -2,-0.4 2,-0.3 0.573 66.4 -31.4 -98.2 -11.8 8.6 74.4 118.6 80 82 A G E -Hi 94 215C 0 134,-0.9 136,-2.6 14,-0.3 2,-0.3 -0.985 67.3 -74.5-177.4-173.4 11.4 72.9 116.5 81 83 A R E -Hi 93 216C 101 12,-2.3 12,-2.8 -2,-0.3 2,-0.5 -0.789 29.0-148.0-102.6 151.6 13.8 70.2 115.7 82 84 A M E -Hi 92 217C 19 134,-3.0 136,-2.7 -2,-0.3 2,-0.6 -0.949 13.8-155.1-122.0 108.3 16.9 69.4 117.7 83 85 A I E -Hi 91 218C 36 8,-2.4 8,-2.0 -2,-0.5 2,-0.6 -0.742 3.6-161.5 -90.1 118.4 19.7 68.0 115.6 84 86 A H E -H 90 0C 1 134,-2.8 6,-0.2 -2,-0.6 -2,-0.0 -0.886 12.2-155.7 -99.1 117.2 22.3 65.8 117.4 85 87 A D > - 0 0 55 4,-2.2 3,-1.6 -2,-0.6 136,-0.0 -0.067 38.4 -82.3 -80.7-172.8 25.6 65.5 115.5 86 88 A L T 3 S+ 0 0 96 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.716 129.3 50.1 -65.0 -22.7 28.2 62.7 115.7 87 89 A K T 3 S- 0 0 188 2,-0.1 -1,-0.3 178,-0.1 178,-0.1 0.334 121.2-103.6 -99.1 5.5 29.8 64.2 118.8 88 90 A G < + 0 0 19 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.546 69.5 150.0 85.8 8.2 26.5 64.6 120.6 89 91 A R - 0 0 184 1,-0.0 -4,-2.2 -5,-0.0 2,-0.5 -0.570 35.9-144.1 -75.8 135.7 26.2 68.3 120.1 90 92 A Q E -H 84 0C 80 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.875 13.8-170.6-106.1 128.2 22.6 69.6 119.9 91 93 A E E -H 83 0C 111 -8,-2.0 -8,-2.4 -2,-0.5 2,-0.6 -0.974 17.1-138.9-117.5 129.1 21.5 72.5 117.6 92 94 A S E -H 82 0C 61 -2,-0.5 2,-0.6 -10,-0.2 -10,-0.2 -0.750 18.2-177.5 -92.2 117.0 18.0 74.0 117.9 93 95 A Q E -H 81 0C 90 -12,-2.8 -12,-2.3 -2,-0.6 -2,-0.0 -0.850 18.2-149.2-114.7 95.1 16.2 74.8 114.7 94 96 A L E H 80 0C 110 -2,-0.6 -14,-0.3 -14,-0.3 -15,-0.1 -0.288 360.0 360.0 -64.1 144.4 12.8 76.4 115.6 95 97 A Y 0 0 67 -16,-3.2 -1,-0.1 -17,-0.0 3,-0.1 -0.299 360.0 360.0 -63.6 360.0 9.9 75.8 113.1 96 ! 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 97 102 A E 0 0 177 0, 0.0 -2,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 1.0 5.4 73.0 109.5 98 103 A A - 0 0 45 -3,-0.1 -44,-0.5 -19,-0.0 2,-0.3 -0.282 360.0-160.3 -68.9 158.8 5.3 72.4 113.2 99 104 A I - 0 0 16 -21,-0.3 -21,-1.8 -46,-0.1 2,-0.3 -0.950 6.7-140.9-136.8 158.4 3.9 69.2 114.7 100 105 A N E -FG 52 77B 29 -48,-2.6 -48,-3.0 -2,-0.3 2,-0.5 -0.919 20.8-117.6-119.5 149.3 2.6 68.1 118.1 101 106 A S E +FG 51 76B 6 -25,-3.2 -25,-2.3 -2,-0.3 2,-0.4 -0.739 34.2 177.3 -85.8 124.3 3.1 64.8 119.9 102 107 A I E -F 50 0B 6 -52,-2.3 -52,-3.0 -2,-0.5 2,-0.3 -0.986 32.4-115.2-126.3 139.7 -0.0 62.8 120.6 103 108 A N E > -F 49 0B 43 -2,-0.4 4,-2.1 -54,-0.2 -54,-0.3 -0.560 19.2-144.7 -74.2 132.6 -0.2 59.3 122.2 104 109 A R H > S+ 0 0 46 -56,-2.8 4,-2.7 -2,-0.3 5,-0.2 0.920 95.9 44.0 -65.6 -46.7 -1.4 56.6 119.8 105 110 A S H > S+ 0 0 36 -57,-0.6 4,-2.7 2,-0.2 5,-0.3 0.854 113.4 51.6 -70.2 -35.3 -3.4 54.5 122.3 106 111 A V H > S+ 0 0 66 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.934 112.7 46.3 -63.8 -45.5 -5.0 57.5 123.9 107 112 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.954 117.3 42.5 -62.0 -49.9 -6.1 58.8 120.5 108 113 A N H X S+ 0 0 23 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.925 118.1 44.2 -62.7 -49.1 -7.4 55.4 119.4 109 114 A N H X S+ 0 0 39 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.817 111.3 53.5 -68.3 -34.6 -9.1 54.5 122.7 110 115 A S H X S+ 0 0 22 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.847 108.0 50.7 -70.6 -33.9 -10.7 57.9 123.2 111 116 A L H X S+ 0 0 1 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.894 109.4 50.7 -67.9 -40.3 -12.2 57.8 119.7 112 117 A L H X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.908 109.3 52.5 -61.3 -41.0 -13.7 54.4 120.6 113 118 A D H < S+ 0 0 75 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.876 106.6 52.1 -61.2 -40.7 -15.1 55.9 123.8 114 119 A E H >< S+ 0 0 18 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.870 105.5 56.1 -63.7 -37.1 -16.7 58.7 121.8 115 120 A L H ><>S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.3 5,-0.6 0.833 98.0 61.5 -63.6 -34.3 -18.4 56.2 119.5 116 121 A E T 3<5S+ 0 0 111 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.554 93.5 63.9 -75.1 -6.6 -20.0 54.4 122.5 117 122 A K T < 5S+ 0 0 161 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.418 106.4 55.3 -89.1 -0.6 -21.9 57.6 123.3 118 123 A S T < 5S- 0 0 43 -3,-1.8 -97,-0.1 2,-0.1 -101,-0.0 -0.438 104.3 -90.9-117.2-168.7 -23.6 57.2 119.9 119 124 A T T 5S+ 0 0 109 -95,-0.2 -3,-0.1 -2,-0.2 2,-0.1 0.349 76.5 133.5 -88.8 5.8 -25.6 54.5 118.2 120 125 A T < - 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