==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-MAY-09 2WJ3 . COMPND 2 MOLECULE: 1-H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER NITROGUAJACOLICUS; . AUTHOR R.A.STEINER . 1093 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 741 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 4.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 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 . 55 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 412 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 4 0 4 4 4 0 0 4 0 8 2 8 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 4 8 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 . 0 0 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 T > 0 0 78 0, 0.0 3,-0.9 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0 -27.0 25.7 62.2 24.3 2 3 A D G > + 0 0 94 1,-0.2 3,-1.8 2,-0.2 0, 0.0 0.643 360.0 81.4 -72.2 -16.8 26.3 63.4 20.6 3 4 A T G 3 S+ 0 0 124 1,-0.3 -1,-0.2 15,-0.0 15,-0.0 0.586 94.2 43.6 -55.4 -17.7 28.1 60.0 20.9 4 5 A Y G < S+ 0 0 44 -3,-0.9 15,-1.5 2,-0.0 2,-0.4 0.317 89.1 116.9-105.7 1.9 24.6 58.7 20.3 5 6 A L E < +A 18 0A 43 -3,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.597 38.8 170.7 -78.4 126.9 23.7 61.2 17.5 6 7 A H E -A 17 0A 52 11,-3.1 11,-1.9 -2,-0.4 2,-0.4 -0.823 23.5-144.6-126.7 167.2 22.9 59.6 14.1 7 8 A E E +A 16 0A 133 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 22.2 168.8-133.0 132.0 21.5 60.7 10.7 8 9 A T E -A 15 0A 31 7,-2.8 7,-3.0 -2,-0.4 2,-0.5 -0.927 37.1-108.9-137.0 164.3 19.4 58.6 8.4 9 10 A L E -A 14 0A 98 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.824 30.7-171.3 -93.3 129.8 17.3 59.2 5.2 10 11 A V E > -A 13 0A 0 3,-3.7 3,-2.1 -2,-0.5 71,-0.1 -0.951 59.2 -60.7-128.8 108.0 13.6 58.9 6.0 11 12 A F T 3 S- 0 0 119 -2,-0.5 -1,-0.0 1,-0.3 70,-0.0 -0.342 126.3 -8.6 45.6-122.8 11.5 58.9 2.8 12 13 A D T 3 S+ 0 0 150 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.854 126.9 66.4 -59.5 -39.1 12.4 62.3 1.3 13 14 A N E < -A 10 0A 27 -3,-2.1 -3,-3.7 -4,-0.1 2,-0.5 -0.599 69.4-129.8-110.2 150.1 14.4 63.7 4.2 14 15 A K E -A 9 0A 153 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.808 36.4-174.9 -85.6 122.8 17.6 63.3 6.2 15 16 A L E -A 8 0A 3 -7,-3.0 -7,-2.8 -2,-0.5 2,-0.2 -0.944 18.0-138.2-121.7 139.1 16.7 63.3 9.9 16 17 A S E +A 7 0A 21 47,-0.4 43,-2.4 -2,-0.4 2,-0.3 -0.581 27.8 172.3 -85.5 160.1 18.9 63.2 12.9 17 18 A Y E -AB 6 58A 26 -11,-1.9 -11,-3.1 41,-0.2 2,-0.4 -0.976 30.5-120.1-161.5 154.3 18.1 61.0 15.9 18 19 A I E +AB 5 57A 2 39,-1.7 39,-2.0 -2,-0.3 2,-0.3 -0.845 33.5 163.5 -97.1 143.4 19.5 59.8 19.2 19 20 A D E - B 0 56A 1 -15,-1.5 37,-0.2 -2,-0.4 -2,-0.1 -0.789 24.3-167.1-157.7 114.7 19.9 56.1 19.8 20 21 A N - 0 0 8 35,-1.3 36,-0.1 -2,-0.3 -15,-0.1 0.525 30.6-142.2 -79.2 -4.2 22.2 54.8 22.5 21 22 A Q + 0 0 119 34,-0.2 33,-0.1 1,-0.2 -1,-0.1 0.653 32.3 177.3 50.7 20.9 21.9 51.3 20.9 22 23 A R - 0 0 78 31,-0.2 2,-1.1 1,-0.1 -1,-0.2 -0.264 29.0-135.1 -54.8 132.1 21.8 49.8 24.4 23 24 A D + 0 0 168 30,-0.1 2,-0.3 31,-0.0 -1,-0.1 -0.762 57.8 119.8 -91.8 92.5 21.3 46.0 24.1 24 25 A T - 0 0 61 -2,-1.1 2,-0.1 1,-0.0 29,-0.1 -0.862 67.2 -66.5-144.9 173.2 18.7 45.4 26.7 25 26 A D S S- 0 0 123 -2,-0.3 29,-0.3 27,-0.1 247,-0.1 -0.393 70.9 -81.3 -62.4 142.7 15.2 44.1 27.5 26 27 A G S S+ 0 0 38 -2,-0.1 2,-0.1 27,-0.1 68,-0.1 -0.147 82.7 84.9 -75.2 175.3 12.3 46.1 26.0 27 28 A P - 0 0 1 0, 0.0 27,-0.3 0, 0.0 67,-0.3 0.549 62.0-139.9 -78.0 161.3 10.4 48.3 25.7 28 29 A A E -c 94 0A 9 65,-2.4 67,-3.3 -2,-0.1 2,-0.7 -0.520 17.2-125.5 -72.2 151.3 12.5 50.9 24.0 29 30 A I E -cd 95 55A 0 25,-2.5 27,-2.4 65,-0.2 2,-0.9 -0.901 19.9-162.5-103.8 111.2 11.9 54.5 25.3 30 31 A L E -cd 96 56A 2 65,-2.0 67,-2.7 -2,-0.7 2,-0.6 -0.815 4.6-160.4 -93.9 103.6 11.0 56.8 22.5 31 32 A L E -c 97 0A 0 25,-2.6 67,-0.2 -2,-0.9 11,-0.1 -0.815 10.1-156.3 -86.4 119.6 11.5 60.4 23.7 32 33 A L E -c 98 0A 0 65,-3.4 67,-1.7 -2,-0.6 70,-0.2 -0.863 3.3-144.2-105.3 113.9 9.5 62.8 21.5 33 34 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.328 14.4-129.4 -71.0 156.2 10.4 66.5 21.1 34 35 A G > - 0 0 2 1,-0.2 3,-0.7 4,-0.1 26,-0.2 -0.007 52.4 -48.5 -79.7-163.8 7.8 69.2 20.8 35 36 A W T 3 S+ 0 0 17 1,-0.2 -1,-0.2 64,-0.1 3,-0.1 -0.448 116.1 5.5 -74.4 141.0 7.9 71.9 18.0 36 37 A a T 3 S+ 0 0 0 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.673 111.4 78.8 57.2 30.0 11.1 73.9 17.2 37 38 A H < - 0 0 2 -3,-0.7 23,-0.3 3,-0.0 2,-0.2 -0.904 60.0-154.7-144.6-179.5 13.5 72.2 19.5 38 39 A D > - 0 0 0 -2,-0.3 3,-2.0 137,-0.1 4,-0.3 -0.597 47.3 -50.5-138.6-169.0 15.4 68.9 19.3 39 40 A H G > S+ 0 0 7 1,-0.3 3,-1.6 -2,-0.2 4,-0.2 0.609 111.7 80.7 -47.1 -25.3 17.1 66.1 21.2 40 41 A R G > S+ 0 0 42 1,-0.2 3,-1.4 2,-0.2 -1,-0.3 0.793 82.5 65.1 -58.1 -26.8 19.1 68.6 23.3 41 42 A V G < S+ 0 0 0 -3,-2.0 -1,-0.2 1,-0.3 4,-0.2 0.729 104.8 46.5 -64.0 -22.6 16.0 69.1 25.6 42 43 A Y G <> S+ 0 0 0 -3,-1.6 4,-3.0 -4,-0.3 -1,-0.3 0.362 76.6 109.6-101.0 6.3 16.3 65.5 26.6 43 44 A K H <> S+ 0 0 55 -3,-1.4 4,-1.3 1,-0.2 -1,-0.1 0.832 84.9 41.0 -62.2 -31.9 20.0 65.4 27.4 44 45 A Y H > S+ 0 0 47 -4,-0.3 4,-1.9 -3,-0.2 -1,-0.2 0.879 114.8 52.0 -76.4 -38.4 19.6 65.1 31.2 45 46 A L H > S+ 0 0 0 208,-0.3 4,-1.5 -4,-0.2 -2,-0.2 0.943 106.2 54.4 -62.9 -46.5 16.7 62.7 30.8 46 47 A I H X S+ 0 0 3 -4,-3.0 4,-2.1 1,-0.2 3,-0.5 0.906 105.7 54.3 -51.3 -46.1 18.8 60.5 28.5 47 48 A Q H < S+ 0 0 131 -4,-1.3 4,-0.5 1,-0.2 -1,-0.2 0.901 106.5 50.4 -54.0 -48.5 21.5 60.4 31.2 48 49 A E H < S+ 0 0 74 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.785 122.6 31.8 -59.8 -34.3 19.0 59.1 33.9 49 50 A L H >X S+ 0 0 0 -4,-1.5 4,-1.3 -3,-0.5 3,-0.5 0.646 91.2 99.2-100.2 -15.1 17.7 56.3 31.6 50 51 A D T 3< S+ 0 0 33 -4,-2.1 3,-0.1 1,-0.3 -2,-0.1 0.749 80.9 48.3 -51.1 -48.3 20.9 55.5 29.6 51 52 A A T 34 S+ 0 0 64 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.927 119.4 31.4 -55.7 -52.8 22.1 52.4 31.5 52 53 A D T <4 S+ 0 0 81 -3,-0.5 2,-0.3 -4,-0.2 -1,-0.2 0.457 116.2 43.4-101.1 -8.0 18.9 50.4 31.7 53 54 A F S < S- 0 0 7 -4,-1.3 2,-0.5 -3,-0.1 -31,-0.2 -0.955 75.6-115.3-136.5 153.1 17.0 51.2 28.5 54 55 A R - 0 0 56 -2,-0.3 -25,-2.5 -27,-0.3 2,-0.5 -0.813 39.3-157.6 -79.5 133.2 17.5 51.7 24.9 55 56 A V E - d 0 29A 0 -2,-0.5 -35,-1.3 -27,-0.2 2,-0.4 -0.973 13.2-177.5-124.9 116.4 16.7 55.4 24.3 56 57 A I E -Bd 19 30A 1 -27,-2.4 -25,-2.6 -2,-0.5 -37,-0.2 -0.950 3.4-177.4-114.6 137.3 15.6 56.8 20.8 57 58 A V E -B 18 0A 0 -39,-2.0 -39,-1.7 -2,-0.4 2,-0.2 -0.888 11.5-157.8-132.5 101.1 14.9 60.5 20.1 58 59 A P E -B 17 0A 1 0, 0.0 2,-0.5 0, 0.0 -41,-0.2 -0.591 8.2-142.4 -80.1 143.1 13.8 61.4 16.6 59 60 A N - 0 0 1 -43,-2.4 3,-0.1 -2,-0.2 -21,-0.1 -0.878 23.2-123.0 -97.9 134.1 14.2 65.0 15.3 60 61 A W > - 0 0 0 -2,-0.5 3,-2.2 -23,-0.3 -44,-0.2 -0.102 44.3 -68.0 -68.5 169.3 11.5 66.3 13.2 61 62 A R T 3 S+ 0 0 35 1,-0.3 -1,-0.2 -46,-0.1 9,-0.1 -0.412 125.6 13.3 -61.3 128.9 11.9 67.6 9.6 62 63 A G T 3 S+ 0 0 13 1,-0.3 6,-1.0 7,-0.1 2,-0.3 0.451 107.4 114.2 82.7 5.8 13.9 70.8 9.6 63 64 A H < + 0 0 12 -3,-2.2 -47,-0.4 4,-0.2 -1,-0.3 -0.780 38.4 72.4-111.1 147.2 14.9 70.2 13.2 64 65 A G S S- 0 0 3 -2,-0.3 -26,-0.0 1,-0.1 -49,-0.0 -0.847 96.4 -43.9 144.8-175.9 18.3 69.5 14.6 65 66 A L S S+ 0 0 69 1,-0.3 -1,-0.1 -2,-0.3 113,-0.0 0.776 139.0 37.2 -52.6 -28.8 21.7 71.1 15.4 66 67 A S S S- 0 0 101 -3,-0.1 -1,-0.3 2,-0.0 -4,-0.1 -0.804 88.5-156.4-127.2 86.0 21.3 72.7 12.0 67 68 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.283 15.4-174.9 -57.5 144.9 17.7 73.7 11.4 68 69 A S - 0 0 71 -6,-1.0 2,-0.1 112,-0.0 -2,-0.0 -0.982 30.6 -99.2-142.5 156.2 16.5 74.0 7.8 69 70 A E + 0 0 162 -2,-0.3 -7,-0.1 113,-0.0 114,-0.0 -0.438 47.1 171.6 -65.8 140.6 13.4 75.1 5.8 70 71 A V - 0 0 22 -9,-0.1 3,-0.1 -2,-0.1 -9,-0.0 -0.923 39.0 -78.7-143.6 163.9 11.4 72.1 4.6 71 72 A P - 0 0 94 0, 0.0 -10,-0.0 0, 0.0 -1,-0.0 -0.266 64.7 -78.5 -63.2 160.8 8.0 71.7 3.0 72 73 A D + 0 0 100 114,-0.0 2,-0.3 -2,-0.0 110,-0.0 -0.313 62.7 152.2 -66.9 142.3 4.9 72.0 5.1 73 74 A F - 0 0 9 -3,-0.1 2,-0.2 -12,-0.1 117,-0.1 -0.944 22.2-155.7-161.2 166.4 3.9 69.0 7.2 74 75 A G > - 0 0 9 -2,-0.3 4,-1.8 116,-0.0 3,-0.4 -0.496 47.2 -63.3-134.7-159.1 2.1 68.2 10.5 75 76 A Y H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.834 122.4 63.3 -70.5 -31.8 1.8 65.6 13.2 76 77 A Q H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 108.4 44.8 -56.7 -38.7 0.6 62.8 11.0 77 78 A E H > S+ 0 0 68 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.871 107.6 56.1 -69.8 -42.6 3.9 63.1 9.2 78 79 A Q H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.892 107.9 51.2 -55.1 -41.4 5.9 63.3 12.4 79 80 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.910 110.0 47.2 -62.1 -47.2 4.2 60.0 13.3 80 81 A K H X S+ 0 0 118 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.923 112.5 51.1 -63.0 -39.4 5.2 58.3 10.0 81 82 A D H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.956 109.6 49.4 -60.4 -49.2 8.7 59.6 10.4 82 83 A A H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.901 112.9 46.7 -58.9 -44.4 8.9 58.2 14.0 83 84 A L H X S+ 0 0 25 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.875 109.9 53.5 -67.6 -36.5 7.7 54.7 12.9 84 85 A E H X S+ 0 0 46 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.848 108.4 49.5 -67.1 -35.0 10.0 54.6 9.9 85 86 A I H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.850 110.7 51.0 -69.6 -33.2 12.9 55.3 12.2 86 87 A L H <>S+ 0 0 1 -4,-1.6 5,-2.5 -5,-0.2 4,-0.5 0.886 109.8 49.6 -70.2 -39.3 11.7 52.5 14.5 87 88 A D H ><5S+ 0 0 94 -4,-2.5 3,-2.9 2,-0.2 -2,-0.2 0.996 109.9 49.7 -59.9 -63.1 11.5 50.1 11.5 88 89 A Q H 3<5S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.855 112.8 49.3 -41.1 -41.1 15.0 50.9 10.3 89 90 A L T 3<5S- 0 0 35 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.589 109.2-124.8 -80.7 -5.8 16.2 50.3 13.9 90 91 A G T < 5 + 0 0 66 -3,-2.9 2,-0.5 -4,-0.5 -3,-0.2 0.748 54.9 157.9 66.0 24.6 14.3 47.0 14.3 91 92 A V < + 0 0 12 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.707 14.6 171.8 -84.6 127.5 12.5 48.3 17.4 92 93 A E + 0 0 144 -2,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.892 61.5 34.0 -97.3 -62.6 9.3 46.5 18.0 93 94 A T S S+ 0 0 40 25,-0.1 -65,-2.4 2,-0.0 2,-0.3 -0.867 70.3 173.0-102.5 132.8 7.8 47.5 21.4 94 95 A F E -c 28 0A 0 23,-2.7 26,-0.4 -2,-0.4 -65,-0.2 -0.986 31.1-144.6-139.8 148.0 8.3 51.1 22.6 95 96 A L E -c 29 0A 0 -67,-3.3 -65,-2.0 -2,-0.3 2,-0.3 -0.971 29.2-149.0-102.7 108.5 7.1 53.4 25.4 96 97 A P E -c 30 0A 0 0, 0.0 26,-2.1 0, 0.0 2,-0.4 -0.643 13.6-171.4 -81.7 143.4 6.7 56.9 24.0 97 98 A V E -ce 31 122A 0 -67,-2.7 -65,-3.4 -2,-0.3 2,-0.2 -0.978 11.7-165.8-134.6 111.2 7.3 60.0 26.2 98 99 A S E -ce 32 123A 0 24,-2.1 26,-1.9 -2,-0.4 2,-0.5 -0.663 15.5-139.6-102.4 157.9 6.4 63.4 24.7 99 100 A H E > - e 0 124A 5 -67,-1.7 3,-2.7 -2,-0.2 4,-0.2 -0.964 61.5 -55.9-114.4 131.2 7.1 67.0 25.6 100 101 A S G > S+ 0 0 9 24,-1.8 3,-1.8 -2,-0.5 24,-0.1 -0.137 129.2 6.7 41.2-123.2 4.3 69.6 25.3 101 102 A H G > S+ 0 0 13 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.438 110.1 84.7 -76.2 -1.4 2.8 69.5 21.7 102 103 A G G <> S+ 0 0 0 -3,-2.7 4,-1.9 1,-0.2 3,-0.4 0.616 74.9 83.1 -56.6 -16.9 4.9 66.5 20.8 103 104 A G H <> S+ 0 0 0 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 0.797 76.9 60.7 -64.3 -31.7 1.8 64.9 22.4 104 105 A W H <> S+ 0 0 0 -3,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.898 107.4 47.4 -63.7 -38.8 -0.2 65.1 19.3 105 106 A V H > S+ 0 0 0 -4,-0.5 4,-2.3 -3,-0.4 -2,-0.2 0.931 111.3 51.7 -62.3 -47.5 2.4 62.8 17.8 106 107 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.896 110.3 45.9 -59.8 -43.8 2.4 60.6 20.8 107 108 A V H X S+ 0 0 1 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.882 115.6 45.8 -72.0 -38.6 -1.4 60.0 20.8 108 109 A E H X S+ 0 0 43 -4,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.811 111.6 54.2 -71.3 -30.5 -1.6 59.4 17.0 109 110 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.901 106.4 51.0 -65.2 -45.1 1.4 57.1 17.4 110 111 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.951 113.9 46.1 -56.9 -45.5 -0.5 55.1 20.0 111 112 A E H < S+ 0 0 64 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.966 118.3 38.7 -61.8 -55.8 -3.4 54.8 17.6 112 113 A Q H < S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.871 123.6 39.7 -68.1 -42.9 -1.5 53.8 14.5 113 114 A A H X S- 0 0 21 -4,-2.9 4,-0.7 -5,-0.2 3,-0.3 0.658 102.7-151.6 -80.8 -19.5 1.0 51.5 16.2 114 115 A G H X - 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