==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-APR-10 3MM9 . COMPND 2 MOLECULE: SULFITE REDUCTASE, DISSIMILATORY-TYPE SUBUNIT ALP . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR K.PAREY,E.WARKENTIN,P.M.H.KRONECK,U.ERMLER . 1560 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 987 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 219 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 99 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 393 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.3 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 5 8 3 5 5 2 2 3 1 1 4 2 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 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 0 PARALLEL BRIDGES PER LADDER . 14 8 10 4 8 4 2 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 . 7 3 0 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 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 1 A S 0 0 105 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.2 46.5 33.6 89.2 2 2 A E + 0 0 166 1,-0.2 50,-0.0 2,-0.1 0, 0.0 0.659 360.0 37.1 -77.4 -20.9 49.3 31.0 89.0 3 3 A T > + 0 0 5 1,-0.1 4,-2.3 2,-0.1 -1,-0.2 -0.452 64.4 156.6-132.2 62.9 48.7 30.7 85.3 4 4 A P H > S+ 0 0 76 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.785 77.7 48.9 -65.8 -24.2 47.9 34.1 83.9 5 5 A L H 4 S+ 0 0 52 2,-0.2 4,-0.4 1,-0.1 3,-0.2 0.901 114.7 42.4 -78.7 -40.2 49.0 33.1 80.3 6 6 A L H >4 S+ 0 0 0 1,-0.2 3,-1.6 2,-0.2 -1,-0.1 0.841 103.7 68.2 -75.4 -30.1 47.0 29.9 80.1 7 7 A D H >< S+ 0 0 39 -4,-2.3 3,-2.1 1,-0.3 4,-0.3 0.880 90.2 64.4 -54.8 -38.3 44.0 31.6 81.7 8 8 A E G >< S+ 0 0 69 -4,-0.8 3,-1.0 1,-0.3 -1,-0.3 0.802 96.5 57.5 -45.4 -36.8 43.7 33.6 78.5 9 9 A L G < S+ 0 0 0 -3,-1.6 9,-0.4 -4,-0.4 10,-0.3 0.216 89.7 69.1 -92.0 9.7 42.9 30.4 76.7 10 10 A E G < S+ 0 0 82 -3,-2.1 -1,-0.3 8,-0.1 -2,-0.2 0.429 92.0 82.2 -88.6 -11.6 40.0 29.6 78.9 11 11 A K S < S+ 0 0 120 -3,-1.0 3,-0.1 -4,-0.3 560,-0.1 -0.473 70.0 50.6 -83.6 161.9 38.4 32.6 77.1 12 12 A G S S- 0 0 45 -2,-0.2 4,-0.1 1,-0.1 559,-0.1 0.072 90.2 -83.4 92.4 159.1 36.7 32.4 73.7 13 13 A P S S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 558,-0.1 0.835 93.9 92.4 -76.5 -33.6 34.1 30.1 72.3 14 14 A W S S- 0 0 6 553,-0.2 557,-0.1 1,-0.1 514,-0.1 -0.274 94.0 -92.6 -58.4 137.7 36.1 27.0 71.2 15 15 A P - 0 0 11 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.329 48.2-124.2 -59.9 140.3 36.3 24.3 73.9 16 16 A S > - 0 0 10 1,-0.1 4,-1.7 -6,-0.1 -6,-0.1 -0.742 17.6-158.5 -97.7 125.8 39.5 24.9 75.9 17 17 A F H > S+ 0 0 4 -2,-0.5 4,-2.0 1,-0.2 -1,-0.1 0.769 97.6 61.3 -64.0 -24.9 42.3 22.4 76.5 18 18 A V H > S+ 0 0 0 -9,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.916 101.4 50.0 -70.4 -46.3 43.3 24.4 79.6 19 19 A K H > S+ 0 0 75 -10,-0.3 4,-2.7 2,-0.2 5,-0.3 0.909 108.4 55.4 -53.6 -41.3 39.9 23.8 81.2 20 20 A E H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.940 111.3 43.7 -55.4 -44.6 40.5 20.0 80.4 21 21 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.944 115.6 47.5 -66.0 -46.4 43.8 20.2 82.3 22 22 A K H X S+ 0 0 34 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.893 109.9 51.7 -64.8 -43.8 42.3 22.2 85.2 23 23 A K H X S+ 0 0 29 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.921 111.2 49.4 -55.6 -47.0 39.2 19.9 85.6 24 24 A T H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.962 112.8 46.3 -57.9 -53.6 41.6 16.9 85.7 25 25 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.919 114.7 47.4 -56.4 -47.8 43.8 18.5 88.4 26 26 A E H X S+ 0 0 111 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.935 118.0 39.9 -61.0 -45.3 40.9 19.6 90.5 27 27 A L H X S+ 0 0 58 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.813 113.4 52.3 -83.3 -26.1 39.1 16.3 90.3 28 28 A M H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.843 112.4 47.2 -71.1 -36.1 42.2 14.0 90.7 29 29 A E H X S+ 0 0 63 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.859 113.3 49.3 -72.7 -35.0 43.2 16.0 93.8 30 30 A K H X S+ 0 0 114 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.905 110.3 49.5 -71.0 -42.2 39.6 15.7 95.1 31 31 A A H <>S+ 0 0 4 -4,-2.5 5,-2.1 1,-0.2 -2,-0.2 0.908 112.5 48.3 -60.8 -39.5 39.5 11.9 94.4 32 32 A A H ><5S+ 0 0 32 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.841 109.4 52.0 -73.0 -31.4 42.9 11.5 96.3 33 33 A A H 3<5S+ 0 0 89 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.728 103.3 59.2 -74.9 -24.6 41.6 13.6 99.2 34 34 A E T 3<5S- 0 0 115 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.305 123.5-107.8 -78.1 7.2 38.5 11.3 99.4 35 35 A G T < 5 + 0 0 65 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.495 67.8 153.1 77.0 3.7 40.9 8.4 99.9 36 36 A K < - 0 0 113 -5,-2.1 2,-1.5 -6,-0.2 -1,-0.2 -0.207 60.0 -98.9 -59.9 158.6 40.4 6.9 96.4 37 37 A D + 0 0 89 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.657 65.7 148.7 -87.2 91.9 43.3 4.9 95.1 38 38 A V - 0 0 16 -2,-1.5 83,-0.2 1,-0.1 84,-0.2 -0.993 27.9-170.9-126.1 118.5 45.0 7.5 92.9 39 39 A K S S+ 0 0 86 82,-2.3 83,-0.1 -2,-0.4 3,-0.1 0.741 81.6 35.7 -85.2 -25.4 48.8 7.3 92.5 40 40 A M > + 0 0 12 83,-0.4 3,-1.5 80,-0.4 4,-0.4 -0.415 62.1 151.9-125.2 58.8 49.5 10.6 90.7 41 41 A P T 3 S+ 0 0 34 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.695 78.5 45.8 -63.7 -18.5 47.1 13.2 92.0 42 42 A K T 3> S+ 0 0 120 1,-0.1 4,-1.8 -3,-0.1 5,-0.2 0.396 84.3 97.8-104.8 1.0 49.4 16.1 91.3 43 43 A G H <> S+ 0 0 2 -3,-1.5 4,-1.9 1,-0.2 3,-0.2 0.924 83.3 45.9 -53.4 -55.3 50.4 15.0 87.8 44 44 A A H > S+ 0 0 0 80,-0.5 4,-1.9 -4,-0.4 -1,-0.2 0.857 113.0 48.2 -58.6 -44.4 47.9 17.3 85.9 45 45 A R H > S+ 0 0 73 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.797 109.2 53.2 -69.4 -30.8 48.6 20.4 87.9 46 46 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.861 108.4 50.3 -71.8 -36.7 52.4 19.9 87.4 47 47 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.914 110.7 51.8 -61.1 -41.3 51.8 19.6 83.7 48 48 A L H X S+ 0 0 5 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.947 110.5 47.1 -59.0 -50.5 49.8 22.9 84.0 49 49 A K H X S+ 0 0 77 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.874 112.6 47.6 -61.6 -42.0 52.6 24.6 85.8 50 50 A Q H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.852 109.5 54.7 -71.6 -33.1 55.3 23.5 83.4 51 51 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.900 105.5 52.7 -64.4 -39.0 53.1 24.6 80.4 52 52 A E H X S+ 0 0 21 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.825 109.6 48.3 -64.8 -36.5 52.8 28.1 81.9 53 53 A I H X S+ 0 0 48 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.880 110.6 52.7 -71.2 -36.0 56.6 28.3 82.2 54 54 A S H X>S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 5,-1.1 0.827 107.1 51.1 -64.7 -36.4 56.8 27.1 78.6 55 55 A Y H <5S+ 0 0 4 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.903 113.4 46.2 -68.8 -40.3 54.4 29.8 77.4 56 56 A K H <5S+ 0 0 165 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.863 120.3 36.5 -67.2 -38.6 56.5 32.4 79.2 57 57 A D H <5S- 0 0 58 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.602 100.7-133.8 -88.4 -9.7 59.9 31.2 77.9 58 58 A K T <5S+ 0 0 45 -4,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.856 71.0 94.0 52.6 43.8 58.4 30.3 74.4 59 59 A K S - 0 0 2 -2,-0.3 3,-1.7 5,-0.2 2,-0.3 -0.634 60.7 -84.3 -92.9 158.4 56.1 -2.6 79.4 71 71 A V T 3 S+ 0 0 106 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.486 116.8 16.9 -63.5 121.7 57.5 -6.1 80.2 72 72 A G T 3 S+ 0 0 45 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.268 111.8 83.1 103.1 -12.8 57.5 -8.1 77.0 73 73 A Y < - 0 0 11 -3,-1.7 -1,-0.3 1,-0.1 132,-0.2 -0.890 51.8-165.1-119.6 152.5 57.2 -5.2 74.5 74 74 A G S S+ 0 0 48 130,-2.6 2,-0.3 -2,-0.3 131,-0.2 0.265 77.1 43.4-115.0 8.7 59.8 -2.9 73.0 75 75 A G S S+ 0 0 3 129,-1.1 -5,-0.2 88,-0.1 91,-0.1 -0.958 73.2 68.7-147.1 162.3 57.2 -0.3 71.7 76 76 A G S S+ 0 0 0 -2,-0.3 22,-3.0 1,-0.1 2,-0.4 0.169 82.4 79.8 114.0 -19.9 54.1 1.5 72.8 77 77 A V E -C 97 0B 9 -9,-0.3 2,-0.8 20,-0.2 -9,-0.3 -0.991 60.2-154.9-120.0 132.8 55.4 3.8 75.5 78 78 A I E -C 96 0B 42 18,-1.8 18,-1.7 -2,-0.4 -11,-0.1 -0.875 19.2-139.3-105.7 101.0 57.2 7.1 74.8 79 79 A G + 0 0 7 -2,-0.8 2,-0.3 -11,-0.3 -14,-0.2 -0.268 25.5 179.2 -52.2 142.8 59.4 8.0 77.8 80 80 A R - 0 0 22 -15,-0.1 14,-3.1 -16,-0.1 2,-0.4 -0.925 9.9-174.6-155.8 130.1 59.4 11.7 78.7 81 81 A Y E -AB 63 93A 50 -18,-0.5 -18,-2.8 -2,-0.3 2,-0.4 -0.972 23.2-126.2-128.4 137.8 61.2 13.6 81.5 82 82 A S E > -A 62 0A 3 10,-1.0 3,-1.2 9,-0.8 -20,-0.3 -0.690 5.7-144.0 -85.2 134.1 60.9 17.2 82.4 83 83 A D T 3 S+ 0 0 76 -22,-2.4 3,-0.2 -2,-0.4 -21,-0.1 0.494 104.8 60.1 -68.8 1.0 64.0 19.4 82.6 84 84 A L T 3> + 0 0 19 -23,-0.5 4,-3.5 7,-0.1 -1,-0.3 0.035 66.2 126.6-112.7 25.3 62.1 21.0 85.5 85 85 A G T <4 S+ 0 0 11 -3,-1.2 7,-0.3 1,-0.2 -1,-0.1 0.729 73.4 46.2 -62.1 -28.6 61.9 17.8 87.6 86 86 A E T 4 S+ 0 0 196 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.894 117.2 42.1 -80.8 -40.3 63.4 19.3 90.8 87 87 A Q T 4 S+ 0 0 144 1,-0.3 -2,-0.2 -3,-0.1 -1,-0.1 0.909 134.4 23.7 -66.3 -42.4 61.3 22.5 90.7 88 88 A I S >< S+ 0 0 5 -4,-3.5 3,-1.8 1,-0.1 -1,-0.3 -0.713 71.1 173.6-125.1 79.2 58.3 20.4 89.8 89 89 A P G > S+ 0 0 74 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.784 70.4 73.8 -64.2 -23.5 58.9 16.8 91.0 90 90 A E G 3 S+ 0 0 32 1,-0.3 -43,-0.1 2,-0.1 -44,-0.1 0.614 105.6 37.6 -66.7 -14.9 55.3 15.6 90.0 91 91 A V G < S+ 0 0 0 -3,-1.8 -9,-0.8 -7,-0.1 -1,-0.3 0.114 76.0 113.3-118.4 15.5 56.4 15.7 86.3 92 92 A E S < S+ 0 0 89 -3,-2.0 -10,-1.0 -7,-0.3 2,-0.4 0.946 94.3 28.8 -46.9 -46.3 60.0 14.4 86.7 93 93 A H B +B 81 0A 29 -4,-0.4 -12,-0.2 -12,-0.2 -1,-0.2 -0.950 68.8 158.5-111.2 135.6 58.5 11.4 84.7 94 94 A F + 0 0 0 -14,-3.1 48,-0.2 -2,-0.4 46,-0.1 -0.257 16.4 171.2-151.8 59.8 55.6 12.0 82.4 95 95 A H E - D 0 141B 0 46,-2.0 45,-1.3 44,-0.1 46,-1.0 -0.345 25.1-136.3 -73.2 148.1 55.5 9.1 79.8 96 96 A T E -CD 78 139B 7 -18,-1.7 -18,-1.8 43,-0.2 2,-0.4 -0.810 9.5-154.7 -96.3 147.4 52.7 8.5 77.4 97 97 A M E -CD 77 138B 0 41,-1.6 41,-3.2 -2,-0.4 2,-0.6 -0.985 12.3-141.7-114.2 132.4 51.3 5.1 76.8 98 98 A R E - D 0 137B 54 -22,-3.0 65,-2.9 -2,-0.4 2,-0.5 -0.882 14.8-157.4 -93.9 125.2 49.7 4.5 73.4 99 99 A I E -ED 162 136B 0 37,-3.2 37,-2.6 -2,-0.6 63,-0.2 -0.924 23.2-115.4-107.8 121.6 46.5 2.3 73.7 100 100 A N - 0 0 2 61,-1.7 61,-0.2 -2,-0.5 35,-0.1 -0.318 34.1-140.5 -58.4 125.3 45.3 0.5 70.6 101 101 A Q - 0 0 2 326,-0.1 2,-0.1 1,-0.1 329,-0.1 -0.476 21.3 -99.6 -83.8 161.5 41.9 1.9 69.6 102 102 A P > - 0 0 0 0, 0.0 3,-2.1 0, 0.0 327,-0.1 -0.510 61.1 -77.4 -75.0 152.5 39.0 -0.3 68.3 103 103 A S G > S+ 0 0 3 325,-0.3 3,-0.9 1,-0.3 86,-0.1 -0.314 119.0 7.3 -52.3 128.9 38.7 -0.1 64.5 104 104 A G G 3 S- 0 0 0 70,-0.3 -1,-0.3 1,-0.2 395,-0.2 0.591 118.7 -85.5 72.6 16.8 37.0 3.3 63.5 105 105 A W G < S+ 0 0 8 -3,-2.1 394,-1.6 1,-0.2 2,-0.5 0.797 76.3 161.3 52.5 38.9 37.1 4.6 67.0 106 106 A F E < +H 498 0C 1 -3,-0.9 2,-0.3 392,-0.2 392,-0.2 -0.720 11.7 171.3 -87.5 125.6 33.8 2.9 67.9 107 107 A Y E -H 497 0C 0 390,-2.9 390,-2.0 -2,-0.5 2,-0.3 -0.893 30.3-142.1-127.9 165.7 33.3 2.5 71.7 108 108 A S E > -H 496 0C 14 -2,-0.3 4,-2.1 388,-0.2 388,-0.2 -0.844 34.3-115.2-114.9 156.8 30.7 1.6 74.2 109 109 A T H > S+ 0 0 11 386,-2.6 4,-2.6 -2,-0.3 5,-0.2 0.891 116.7 58.1 -59.8 -35.8 30.4 3.5 77.5 110 110 A K H > S+ 0 0 114 385,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.914 106.4 48.6 -58.9 -44.4 31.5 0.3 79.4 111 111 A A H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.953 114.0 45.5 -58.9 -50.5 34.8 0.2 77.4 112 112 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.884 109.3 54.5 -64.4 -39.6 35.6 3.8 77.9 113 113 A R H X S+ 0 0 65 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.855 104.1 55.0 -66.2 -33.9 34.8 3.7 81.7 114 114 A G H X S+ 0 0 12 -4,-1.6 4,-2.0 -3,-0.2 -1,-0.2 0.938 109.7 48.3 -60.9 -44.8 37.2 0.8 82.2 115 115 A L H X S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.889 111.3 49.0 -61.7 -43.4 39.9 3.0 80.6 116 116 A C H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.875 110.0 52.2 -63.0 -38.3 39.0 6.0 82.8 117 117 A D H X S+ 0 0 86 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.909 113.5 42.4 -67.3 -39.1 39.1 3.8 85.9 118 118 A V H X S+ 0 0 8 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.922 114.8 49.4 -74.7 -42.8 42.6 2.4 85.2 119 119 A W H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 6,-0.3 0.858 106.9 55.8 -67.1 -33.9 44.1 5.7 84.1 120 120 A E H < S+ 0 0 22 -4,-2.1 -80,-0.4 -5,-0.2 -81,-0.3 0.886 111.4 45.2 -60.1 -41.1 42.7 7.5 87.2 121 121 A K H < S+ 0 0 60 -4,-1.1 -82,-2.3 -83,-0.2 -2,-0.2 0.908 127.6 24.0 -68.4 -41.9 44.6 5.0 89.4 122 122 A W H < S+ 0 0 31 -4,-2.0 20,-0.5 -84,-0.2 -2,-0.2 0.630 116.9 30.7-107.0 -15.5 47.9 5.0 87.5 123 123 A G E < S-F 141 0B 0 -4,-2.4 -83,-0.4 -5,-0.2 18,-0.2 -0.487 90.2 -76.0-137.0-168.5 48.4 8.3 85.6 124 124 A S E - 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