==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-DEC-12 4IFR . COMPND 2 MOLECULE: 2-AMINO-3-CARBOXYMUCONATE 6-SEMIALDEHYDE DECARBOX . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR L.HUO,I.DAVIS,L.CHEN,A.LIU . 660 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24407.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 3 0.5 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 . 37 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.3 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 8 1 1 2 2 0 2 2 3 1 2 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 7 5 1 1 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 . 1 0 3 0 0 1 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 . 1 3 1 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 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 4 A P 0 0 104 0, 0.0 2,-0.5 0, 0.0 68,-0.1 0.000 360.0 360.0 360.0 173.6 -62.5 33.5 -38.1 2 5 A R - 0 0 76 66,-0.4 69,-2.2 318,-0.1 68,-1.4 -0.811 360.0-168.2 -86.7 124.6 -60.1 33.5 -35.1 3 6 A I E -a 71 0A 5 316,-3.0 2,-0.9 -2,-0.5 285,-0.3 -0.942 6.3-166.7-115.6 109.9 -59.1 29.9 -33.9 4 7 A D E -a 72 0A 0 67,-1.7 69,-2.4 -2,-0.5 285,-0.2 -0.822 7.6-178.9 -92.7 102.7 -57.4 29.7 -30.5 5 8 A M E + 0 0 1 283,-3.0 2,-0.3 -2,-0.9 284,-0.2 0.271 61.4 63.6 -94.6 15.1 -56.0 26.2 -30.5 6 9 A H E + 0 0 1 282,-0.2 285,-2.8 2,-0.0 286,-1.0 -0.764 64.6 117.7-141.9 93.0 -54.5 26.2 -27.0 7 10 A S E -ab 74 292A 0 66,-0.8 68,-1.1 -2,-0.3 2,-0.3 -0.898 42.8-132.4-144.9 172.6 -56.7 26.6 -24.0 8 11 A H E -a 75 0A 2 284,-2.5 2,-0.3 -2,-0.3 68,-0.2 -0.906 11.9-169.5-133.9 157.3 -57.7 24.6 -20.9 9 12 A F E -a 76 0A 4 66,-2.0 68,-0.9 -2,-0.3 46,-0.2 -0.867 8.3-156.0-133.6 169.6 -60.6 23.5 -18.9 10 13 A F - 0 0 0 44,-2.0 66,-0.0 -2,-0.3 -2,-0.0 -0.937 22.8-131.8-147.7 128.2 -61.2 21.8 -15.5 11 14 A P - 0 0 6 0, 0.0 2,-1.2 0, 0.0 45,-0.1 -0.272 28.5 -92.3 -82.2 165.1 -64.4 19.9 -14.8 12 15 A R + 0 0 141 43,-0.2 2,-0.4 88,-0.1 18,-0.0 -0.626 60.0 156.3 -70.1 94.0 -66.8 19.9 -11.8 13 16 A I - 0 0 5 -2,-1.2 16,-2.9 4,-0.0 2,-0.2 -0.994 30.2-143.9-124.7 130.6 -65.4 17.3 -9.5 14 17 A S > - 0 0 31 -2,-0.4 4,-2.4 14,-0.2 5,-0.3 -0.497 28.7-107.8 -85.3 160.4 -66.0 17.2 -5.8 15 18 A E H > S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.869 120.0 51.1 -51.6 -43.5 -63.5 16.1 -3.2 16 19 A Q H > S+ 0 0 136 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.901 108.5 49.6 -66.5 -43.5 -65.5 12.9 -2.6 17 20 A E H > S+ 0 0 79 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.928 114.9 44.1 -62.4 -45.3 -65.6 11.9 -6.3 18 21 A A H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 3,-0.4 0.777 106.9 63.6 -66.3 -26.9 -61.9 12.5 -6.7 19 22 A A H X S+ 0 0 42 -4,-1.5 4,-1.0 -5,-0.3 -2,-0.2 0.887 92.9 61.1 -65.1 -39.9 -61.5 10.6 -3.3 20 23 A K H < S+ 0 0 184 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.831 114.7 35.6 -54.5 -34.3 -62.9 7.5 -4.9 21 24 A F H < S- 0 0 40 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.929 145.4 -23.6 -84.8 -52.2 -60.0 7.6 -7.4 22 25 A D H X - 0 0 27 -4,-3.1 4,-2.5 5,-0.1 3,-0.3 -0.575 50.0-159.6-169.1 92.4 -57.2 8.9 -5.1 23 26 A A T < S+ 0 0 50 -4,-1.0 -4,-0.1 1,-0.2 19,-0.1 0.541 95.3 38.4 -53.6 -7.9 -58.0 10.9 -2.0 24 27 A N T 4 S+ 0 0 107 19,-0.2 -1,-0.2 -6,-0.1 21,-0.2 0.755 128.6 19.9-114.9 -33.6 -54.4 12.3 -2.0 25 28 A H T 4 S+ 0 0 108 -3,-0.3 -2,-0.2 -7,-0.1 57,-0.1 0.484 90.8 103.4-122.8 -9.3 -53.4 13.0 -5.6 26 29 A A < - 0 0 1 -4,-2.5 17,-1.3 -8,-0.2 2,-0.1 -0.702 67.2-137.6 -75.5 121.0 -56.7 13.2 -7.5 27 30 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.391 26.6 176.4 -72.6 152.4 -57.3 16.9 -8.2 28 31 A W - 0 0 21 13,-0.4 13,-2.8 -2,-0.1 2,-0.6 -0.898 28.3 -99.7-147.3-175.2 -60.8 18.4 -7.8 29 32 A L E -D 40 0B 5 -16,-2.9 2,-0.6 -2,-0.3 11,-0.2 -0.926 20.9-170.5-121.5 117.9 -62.6 21.7 -8.0 30 33 A Q E -D 39 0B 89 9,-3.0 9,-3.0 -2,-0.6 2,-0.3 -0.911 16.0-166.0-100.7 120.9 -63.6 23.9 -5.2 31 34 A V E -D 38 0B 36 -2,-0.6 7,-0.3 7,-0.2 20,-0.0 -0.846 22.3-111.3-109.0 146.5 -65.9 26.7 -6.2 32 35 A S - 0 0 32 5,-1.9 -1,-0.0 -2,-0.3 7,-0.0 -0.322 31.5-112.0 -65.5 156.5 -66.8 29.8 -4.3 33 36 A A S S+ 0 0 114 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.841 122.0 50.7 -61.1 -35.7 -70.4 30.1 -3.1 34 37 A K S S- 0 0 175 1,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.958 108.6-132.8 -60.3 -52.4 -70.9 33.0 -5.5 35 38 A G S S+ 0 0 16 2,-0.1 -2,-0.1 0, 0.0 3,-0.0 0.511 77.7 101.2 108.6 12.1 -69.5 30.8 -8.2 36 39 A D S S+ 0 0 65 15,-0.1 16,-2.4 16,-0.0 2,-0.2 0.835 82.0 30.7 -96.8 -39.6 -67.0 33.3 -9.8 37 40 A T E + E 0 51B 71 14,-0.2 -5,-1.9 15,-0.1 2,-0.3 -0.494 67.2 156.3-106.2-175.3 -63.7 32.2 -8.2 38 41 A G E -DE 31 50B 7 12,-1.4 12,-3.4 -7,-0.3 2,-0.4 -0.955 29.2-112.9 170.9 173.1 -62.4 28.8 -7.2 39 42 A S E -DE 30 49B 17 -9,-3.0 -9,-3.0 -2,-0.3 2,-0.6 -0.971 16.0-131.6-130.8 143.8 -59.5 26.5 -6.4 40 43 A I E -DE 29 48B 0 8,-2.3 7,-2.6 -2,-0.4 8,-1.2 -0.867 38.3-161.8 -86.7 123.8 -58.0 23.4 -7.9 41 44 A M E - E 0 46B 11 -13,-2.8 -13,-0.4 -2,-0.6 5,-0.2 -0.283 20.6-156.8 -98.9-172.9 -57.5 21.1 -5.0 42 45 A M E > S- E 0 45B 41 3,-0.9 3,-1.9 -15,-0.2 2,-0.8 -0.582 72.5 -50.1-168.4 90.3 -55.4 18.0 -4.5 43 46 A G T 3 S- 0 0 5 -17,-1.3 -19,-0.2 1,-0.3 -18,-0.1 -0.671 124.9 -25.3 66.4-108.7 -56.6 15.8 -1.7 44 47 A K T 3 S+ 0 0 157 -2,-0.8 2,-0.3 -20,-0.2 -1,-0.3 0.425 118.9 101.1-109.1 -4.8 -57.0 18.5 1.0 45 48 A N E < S-E 42 0B 115 -3,-1.9 -3,-0.9 -21,-0.2 2,-0.5 -0.604 72.7-121.9 -93.4 144.4 -54.4 20.9 -0.4 46 49 A N E +E 41 0B 93 -2,-0.3 -5,-0.2 -5,-0.2 -2,-0.1 -0.703 34.1 172.1 -80.6 127.8 -54.9 24.1 -2.4 47 50 A F E - 0 0 108 -7,-2.6 -6,-0.2 -2,-0.5 -1,-0.2 0.805 58.7 -9.2-107.8 -40.0 -53.0 23.7 -5.6 48 51 A R E -E 40 0B 48 -8,-1.2 -8,-2.3 2,-0.0 -1,-0.2 -0.803 61.5-125.2-172.7 115.0 -53.9 26.7 -7.9 49 52 A P E +E 39 0B 96 0, 0.0 -10,-0.3 0, 0.0 2,-0.2 -0.486 40.7 170.9 -71.3 138.1 -56.5 29.5 -7.6 50 53 A V E -E 38 0B 19 -12,-3.4 -12,-1.4 -2,-0.2 2,-0.3 -0.761 20.1-129.2-139.2 177.7 -58.7 29.7 -10.7 51 54 A Y E > -E 37 0B 76 -2,-0.2 3,-2.3 -14,-0.2 4,-0.4 -0.889 36.3 -82.2-140.0 174.4 -61.8 31.4 -12.1 52 55 A Q G >> S+ 0 0 42 -16,-2.4 4,-3.1 1,-0.3 3,-1.1 0.648 111.8 66.4 -46.4 -36.4 -65.2 30.8 -13.7 53 56 A A G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 7,-0.1 0.615 91.6 65.7 -69.6 -11.5 -64.1 30.5 -17.3 54 57 A L G <4 S+ 0 0 2 -3,-2.3 -44,-2.0 -45,-0.1 -1,-0.3 0.831 121.1 15.3 -76.9 -34.8 -62.2 27.3 -16.6 55 58 A W T <4 S+ 0 0 23 -3,-1.1 -2,-0.2 -4,-0.4 -43,-0.2 0.655 110.8 80.6-112.3 -23.7 -65.4 25.3 -15.8 56 59 A D X - 0 0 42 -4,-3.1 4,-1.4 1,-0.2 -1,-0.1 -0.796 49.6-173.9 -96.5 113.3 -68.2 27.4 -17.1 57 60 A P H > S+ 0 0 25 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.835 87.9 50.1 -68.9 -37.7 -68.8 27.0 -20.9 58 61 A A H > S+ 0 0 46 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.954 113.5 44.9 -64.7 -51.8 -71.5 29.8 -21.0 59 62 A F H > S+ 0 0 59 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.784 109.2 58.5 -61.5 -30.5 -69.2 32.2 -19.1 60 63 A R H >X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 3,-0.7 0.880 101.2 55.9 -68.1 -38.1 -66.3 31.2 -21.4 61 64 A I H 3X S+ 0 0 18 -4,-1.6 4,-1.8 -3,-0.3 -2,-0.2 0.915 100.0 57.2 -58.4 -46.4 -68.3 32.2 -24.4 62 65 A E H 3X S+ 0 0 141 -4,-1.4 4,-1.0 1,-0.3 -1,-0.2 0.687 112.8 41.7 -64.4 -17.9 -68.8 35.8 -23.2 63 66 A E H S+ 0 0 5 -4,-2.0 5,-1.3 1,-0.2 4,-0.3 0.766 109.0 46.8 -64.7 -24.8 -64.7 34.3 -26.3 65 68 A D H ><5S+ 0 0 94 -4,-1.8 3,-1.0 3,-0.2 -2,-0.2 0.930 109.2 50.6 -79.9 -50.0 -66.8 37.2 -27.7 66 69 A A H 3<5S+ 0 0 87 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.1 0.682 113.9 46.5 -61.6 -21.2 -64.9 40.1 -26.0 67 70 A Q T 3<5S- 0 0 51 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.551 112.1-117.5-100.6 -12.0 -61.6 38.7 -27.3 68 71 A G T < 5 + 0 0 28 -3,-1.0 2,-0.6 -4,-0.3 -66,-0.4 0.641 61.0 151.8 84.8 16.5 -62.9 38.1 -30.8 69 72 A V < + 0 0 1 -5,-1.3 -1,-0.3 -6,-0.3 3,-0.1 -0.718 21.4 179.0 -85.4 122.6 -62.3 34.4 -30.6 70 73 A D + 0 0 65 -68,-1.4 2,-0.5 -2,-0.6 -67,-0.2 0.938 69.2 20.6 -89.5 -55.3 -64.7 32.4 -32.8 71 74 A V E -a 3 0A 18 -69,-2.2 -67,-1.7 41,-0.1 2,-0.5 -0.970 67.3-164.3-120.8 127.4 -63.6 28.7 -32.2 72 75 A Q E -ac 4 112A 1 39,-2.8 41,-3.2 -2,-0.5 2,-0.6 -0.927 9.2-155.3-109.7 127.6 -61.7 27.5 -29.2 73 76 A V E - c 0 113A 2 -69,-2.4 -66,-0.8 -2,-0.5 2,-0.3 -0.901 27.6-179.4 -92.7 123.6 -59.9 24.2 -29.0 74 77 A T E +ac 7 114A 0 39,-3.0 41,-2.0 -2,-0.6 2,-0.3 -0.849 8.6 170.6-128.5 158.8 -59.6 23.3 -25.3 75 78 A C E -a 8 0A 2 -68,-1.1 -66,-2.0 -2,-0.3 41,-0.1 -0.929 39.0 -49.2-157.9 176.5 -58.1 20.4 -23.3 76 79 A A E -a 9 0A 2 39,-0.3 -66,-0.1 -2,-0.3 5,-0.0 -0.170 50.0-116.1 -56.0 141.4 -57.2 19.0 -19.8 77 80 A T > - 0 0 4 -68,-0.9 3,-3.0 1,-0.1 4,-0.2 -0.691 35.3-116.9 -72.5 133.8 -55.2 21.1 -17.3 78 81 A P G > S+ 0 0 22 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.718 111.1 70.9 -51.2 -27.9 -52.0 19.1 -16.9 79 82 A V G 3 S+ 0 0 30 1,-0.3 3,-0.3 2,-0.1 -3,-0.0 0.726 92.1 61.9 -63.6 -19.1 -52.7 18.4 -13.3 80 83 A M G < S+ 0 0 0 -3,-3.0 -1,-0.3 1,-0.2 17,-0.1 0.499 78.1 90.9 -79.6 -5.7 -55.4 16.1 -14.5 81 84 A F < - 0 0 3 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.1 0.910 60.7-168.7 -63.7 -49.3 -53.1 13.7 -16.4 82 85 A G > + 0 0 7 -4,-0.3 3,-1.5 -3,-0.3 -1,-0.1 0.818 23.2 157.6 61.8 37.3 -52.4 11.2 -13.6 83 86 A Y T 3 + 0 0 10 1,-0.3 -1,-0.1 37,-0.1 4,-0.1 0.650 69.2 57.0 -63.2 -19.2 -49.5 9.5 -15.5 84 87 A T T 3 S+ 0 0 119 2,-0.1 -1,-0.3 6,-0.0 3,-0.1 0.464 88.3 98.1 -92.7 -5.1 -48.1 8.2 -12.2 85 88 A W S < S- 0 0 22 -3,-1.5 2,-0.1 1,-0.1 36,-0.1 -0.339 91.8 -78.6 -81.0 166.3 -51.2 6.4 -11.0 86 89 A E > - 0 0 100 1,-0.1 4,-2.0 -2,-0.1 3,-0.4 -0.443 51.9-117.2 -58.6 136.0 -52.0 2.7 -11.3 87 90 A A H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.779 106.1 48.4 -52.7 -44.6 -53.1 2.2 -15.0 88 91 A N H > S+ 0 0 104 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.882 113.0 48.3 -69.6 -38.4 -56.7 1.0 -14.6 89 92 A K H > S+ 0 0 46 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.911 113.8 48.8 -63.7 -40.9 -57.5 3.8 -12.2 90 93 A A H X S+ 0 0 2 -4,-2.0 4,-3.5 1,-0.2 5,-0.2 0.938 109.1 50.8 -66.7 -47.3 -55.9 6.2 -14.6 91 94 A A H X S+ 0 0 17 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.840 112.1 48.5 -56.9 -38.2 -57.8 4.8 -17.6 92 95 A Q H X S+ 0 0 115 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.904 112.4 48.8 -66.5 -46.9 -61.0 5.2 -15.7 93 96 A W H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.936 111.0 49.4 -54.9 -53.2 -60.1 8.7 -14.7 94 97 A A H X S+ 0 0 1 -4,-3.5 4,-2.2 1,-0.2 23,-0.3 0.846 110.4 51.2 -61.8 -35.3 -59.2 9.6 -18.3 95 98 A E H X S+ 0 0 82 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.913 112.0 46.7 -66.2 -42.4 -62.5 8.2 -19.5 96 99 A R H X S+ 0 0 84 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.877 113.3 48.6 -67.9 -39.4 -64.4 10.2 -16.9 97 100 A M H X S+ 0 0 1 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.909 109.9 50.7 -67.8 -43.3 -62.5 13.4 -17.8 98 101 A N H X S+ 0 0 5 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.818 109.6 52.4 -64.8 -29.9 -63.0 13.0 -21.5 99 102 A D H X S+ 0 0 56 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.950 107.1 51.6 -66.8 -49.7 -66.7 12.6 -20.8 100 103 A F H X S+ 0 0 18 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.816 108.2 53.8 -51.8 -35.9 -66.7 15.8 -18.8 101 104 A A H X S+ 0 0 1 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.925 106.6 49.0 -70.9 -46.8 -65.1 17.6 -21.7 102 105 A L H X S+ 0 0 42 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.909 112.8 49.4 -56.0 -43.3 -67.7 16.5 -24.2 103 106 A E H X S+ 0 0 126 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.949 112.2 48.5 -57.8 -52.6 -70.4 17.7 -21.7 104 107 A F H >< S+ 0 0 16 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.922 116.9 40.9 -50.4 -52.2 -68.6 21.0 -21.4 105 108 A A H >< S+ 0 0 7 -4,-3.1 3,-1.8 1,-0.2 7,-0.3 0.747 100.1 72.5 -74.0 -27.4 -68.2 21.5 -25.1 106 109 A A H 3< S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.604 77.1 78.5 -69.7 -13.4 -71.8 20.2 -26.0 107 110 A H T << S- 0 0 95 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.844 127.7 -6.8 -56.8 -34.3 -73.2 23.5 -24.5 108 111 A N S X> S+ 0 0 46 -3,-1.8 3,-2.1 -4,-0.2 4,-2.0 -0.286 70.7 176.6-162.2 69.9 -72.1 24.8 -27.9 109 112 A P T 34 S+ 0 0 60 0, 0.0 -3,-0.1 0, 0.0 5,-0.1 0.524 75.8 72.1 -59.4 -4.5 -70.1 22.3 -30.0 110 113 A Q T 34 S+ 0 0 140 -5,-0.1 3,-0.1 1,-0.1 -4,-0.1 0.833 114.6 18.6 -81.4 -31.6 -70.0 24.9 -32.8 111 114 A R T <4 S+ 0 0 48 -3,-2.1 -39,-2.8 -6,-0.2 2,-0.7 0.703 117.8 67.1-109.2 -29.3 -67.5 27.1 -31.1 112 115 A I E < +c 72 0A 2 -4,-2.0 2,-0.3 -7,-0.3 -39,-0.2 -0.855 57.8 177.1-103.2 110.7 -66.0 24.9 -28.4 113 116 A K E -c 73 0A 49 -41,-3.2 -39,-3.0 -2,-0.7 2,-0.3 -0.833 12.9-153.3-105.4 149.9 -63.8 21.9 -29.6 114 117 A V E -c 74 0A 6 -2,-0.3 25,-2.4 -41,-0.2 26,-0.5 -0.879 9.0-148.3-124.0 155.7 -62.1 19.6 -27.1 115 118 A L - 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