==== 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 3MM5 . 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) . 51326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 998 64.0 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 . 220 14.1 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 . 107 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 160 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 394 25.3 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 7 9 2 6 8 1 3 3 1 1 4 2 0 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 . 15 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 . 6 4 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 0 106 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.5 46.5 34.0 88.2 2 2 A E + 0 0 180 1,-0.2 3,-0.1 2,-0.1 50,-0.0 0.636 360.0 38.3 -73.7 -17.9 49.3 31.3 88.3 3 3 A T > + 0 0 10 1,-0.1 4,-2.9 2,-0.1 -1,-0.2 -0.416 67.5 155.5-131.9 62.4 48.6 30.8 84.6 4 4 A P H > S+ 0 0 74 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.842 77.9 46.2 -67.1 -34.2 47.9 34.3 83.1 5 5 A L H >4 S+ 0 0 26 2,-0.2 3,-0.8 1,-0.2 4,-0.4 0.953 116.5 42.6 -68.0 -50.9 49.0 33.3 79.5 6 6 A L H >4 S+ 0 0 0 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.824 104.3 66.4 -66.9 -32.3 47.0 30.1 79.4 7 7 A D H >< S+ 0 0 41 -4,-2.9 3,-1.9 1,-0.3 4,-0.4 0.829 89.8 66.0 -58.9 -29.8 44.0 31.7 81.1 8 8 A E G X< S+ 0 0 73 -3,-0.8 3,-1.0 -4,-0.8 -1,-0.3 0.832 95.4 59.1 -56.0 -28.4 43.7 33.8 77.9 9 9 A L G < S+ 0 0 0 -3,-1.7 9,-0.4 -4,-0.4 10,-0.3 0.237 89.5 67.9 -94.4 10.5 42.9 30.5 76.2 10 10 A E G < S+ 0 0 78 -3,-1.9 -1,-0.3 8,-0.1 -2,-0.2 0.480 90.7 80.9 -90.6 -15.3 39.8 29.8 78.4 11 11 A K S < S+ 0 0 120 -3,-1.0 3,-0.1 -4,-0.4 560,-0.1 -0.500 71.2 55.8 -82.2 162.2 38.2 32.8 76.7 12 12 A G S S- 0 0 43 -2,-0.2 4,-0.1 1,-0.1 559,-0.1 0.109 89.9 -87.1 94.1 153.9 36.6 32.4 73.2 13 13 A P S S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 558,-0.1 0.778 93.7 92.9 -72.3 -29.1 33.9 30.2 71.9 14 14 A W S S- 0 0 6 553,-0.2 514,-0.1 1,-0.1 2,-0.1 -0.407 94.3 -94.1 -70.2 140.1 36.0 27.1 70.8 15 15 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.390 47.9-123.3 -57.7 132.4 36.2 24.4 73.6 16 16 A S > - 0 0 8 1,-0.1 4,-1.6 -6,-0.1 5,-0.1 -0.639 17.8-158.7 -87.8 127.2 39.4 25.1 75.5 17 17 A F H > S+ 0 0 5 -2,-0.4 4,-2.3 2,-0.2 -1,-0.1 0.785 100.1 61.9 -66.5 -26.4 42.2 22.5 76.0 18 18 A V H > S+ 0 0 0 -9,-0.4 4,-3.0 2,-0.2 5,-0.3 0.941 100.9 50.4 -64.0 -47.8 43.2 24.6 78.9 19 19 A K H > S+ 0 0 76 -10,-0.3 4,-3.0 1,-0.2 5,-0.2 0.900 109.0 52.4 -53.0 -43.0 39.8 23.9 80.5 20 20 A E H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.927 111.6 46.5 -60.0 -43.4 40.4 20.1 79.9 21 21 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.956 115.7 44.3 -66.2 -45.8 43.8 20.3 81.6 22 22 A K H X S+ 0 0 33 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.867 111.2 53.5 -67.6 -38.4 42.4 22.3 84.5 23 23 A K H X S+ 0 0 24 -4,-3.0 4,-2.8 -5,-0.3 5,-0.2 0.910 111.5 47.4 -58.4 -40.0 39.3 20.0 84.8 24 24 A T H X S+ 0 0 0 -4,-2.0 4,-3.0 -5,-0.2 5,-0.4 0.964 113.2 46.9 -67.5 -49.6 41.7 17.0 85.0 25 25 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.929 115.0 47.3 -56.3 -48.7 43.9 18.7 87.6 26 26 A E H X S+ 0 0 110 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.929 118.7 38.4 -59.6 -46.4 40.9 19.7 89.7 27 27 A L H X S+ 0 0 59 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.794 114.7 51.7 -83.3 -26.3 39.1 16.4 89.6 28 28 A M H X S+ 0 0 1 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.921 112.2 48.3 -68.3 -44.9 42.3 14.1 89.9 29 29 A E H X S+ 0 0 59 -4,-2.1 4,-2.6 -5,-0.4 -2,-0.2 0.887 112.9 48.1 -60.9 -43.0 43.3 16.2 93.0 30 30 A K H X S+ 0 0 112 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.942 110.5 50.9 -61.6 -48.3 39.8 15.8 94.3 31 31 A A H <>S+ 0 0 4 -4,-2.5 5,-2.3 1,-0.2 -2,-0.2 0.935 113.6 45.2 -57.0 -48.4 39.7 12.0 93.7 32 32 A A H ><5S+ 0 0 33 -4,-2.9 3,-2.0 1,-0.2 -1,-0.2 0.926 111.3 52.3 -61.1 -47.1 43.1 11.7 95.5 33 33 A A H 3<5S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.825 106.4 55.9 -57.3 -33.5 41.9 13.9 98.3 34 34 A E T 3<5S- 0 0 116 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.383 124.2-102.3 -79.2 0.6 38.8 11.7 98.7 35 35 A G T < 5 + 0 0 70 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.560 69.6 150.3 89.6 8.1 40.9 8.5 99.2 36 36 A K < - 0 0 111 -5,-2.3 2,-1.4 -6,-0.2 -1,-0.3 -0.402 60.6-101.1 -69.8 153.8 40.6 7.1 95.7 37 37 A D + 0 0 89 -2,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.637 63.5 150.7 -79.6 91.9 43.4 5.0 94.3 38 38 A V - 0 0 16 -2,-1.4 83,-0.2 1,-0.1 84,-0.2 -0.980 27.9-170.3-128.7 113.5 45.1 7.6 92.1 39 39 A K S S+ 0 0 77 82,-3.1 83,-0.2 -2,-0.5 3,-0.1 0.840 82.5 29.8 -76.2 -34.7 48.9 7.3 91.6 40 40 A M > + 0 0 13 83,-0.5 3,-1.4 80,-0.4 4,-0.4 -0.447 63.0 151.4-124.6 60.2 49.6 10.7 89.8 41 41 A P T 3 S+ 0 0 31 0, 0.0 4,-0.3 0, 0.0 -12,-0.2 0.661 77.5 49.3 -67.5 -14.3 47.1 13.2 91.0 42 42 A K T 3> S+ 0 0 116 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 0.444 83.4 93.9-101.3 -4.0 49.5 16.1 90.5 43 43 A G H <> S+ 0 0 2 -3,-1.4 4,-2.2 2,-0.2 5,-0.2 0.907 84.8 47.7 -55.2 -49.5 50.5 15.2 86.9 44 44 A A H > S+ 0 0 0 80,-0.4 4,-2.2 -4,-0.4 -1,-0.2 0.910 112.5 48.3 -65.8 -43.3 47.9 17.4 85.1 45 45 A R H > S+ 0 0 72 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.874 110.6 52.5 -61.7 -35.6 48.7 20.4 87.2 46 46 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.895 107.5 51.4 -63.8 -40.9 52.4 19.9 86.6 47 47 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.932 109.6 50.8 -61.5 -44.5 51.8 19.7 82.9 48 48 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.908 110.3 48.8 -60.4 -43.0 49.9 23.0 83.2 49 49 A K H X S+ 0 0 82 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.889 111.8 48.7 -65.6 -40.5 52.7 24.7 85.1 50 50 A Q H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.901 110.9 51.1 -63.5 -43.2 55.2 23.5 82.5 51 51 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.908 105.5 54.1 -63.8 -41.3 53.1 24.7 79.7 52 52 A E H X S+ 0 0 19 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.899 110.8 47.6 -57.3 -42.2 52.7 28.2 81.2 53 53 A I H X S+ 0 0 41 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.902 109.4 52.6 -65.5 -42.6 56.5 28.4 81.4 54 54 A S H X>S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 5,-1.3 0.867 108.2 52.8 -60.1 -38.1 56.8 27.2 77.8 55 55 A Y H <5S+ 0 0 4 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.907 112.0 44.1 -62.2 -42.9 54.3 30.0 76.8 56 56 A K H <5S+ 0 0 144 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.911 121.9 37.8 -68.8 -41.5 56.4 32.6 78.5 57 57 A D H <5S- 0 0 60 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.583 100.4-134.5 -85.5 -14.7 59.8 31.3 77.1 58 58 A K T <5S+ 0 0 45 -4,-1.5 2,-0.3 -5,-0.2 -3,-0.2 0.876 71.1 90.9 60.3 42.5 58.3 30.4 73.7 59 59 A K S - 0 0 1 -2,-0.3 3,-1.8 5,-0.2 2,-0.2 -0.603 62.4 -82.0 -84.0 160.3 55.9 -2.8 79.0 71 71 A V T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.408 116.1 16.1 -69.8 125.9 57.2 -6.2 79.7 72 72 A G T 3 S+ 0 0 45 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.234 114.0 83.1 100.8 -13.6 57.3 -8.4 76.6 73 73 A Y < - 0 0 11 -3,-1.8 -1,-0.3 1,-0.1 132,-0.2 -0.845 52.2-166.8-114.9 158.9 56.9 -5.5 74.1 74 74 A G S S+ 0 0 49 130,-3.2 2,-0.3 -2,-0.3 131,-0.2 0.252 73.9 42.2-124.4 11.3 59.4 -3.0 72.7 75 75 A G S S+ 0 0 4 129,-0.9 -5,-0.2 -5,-0.1 91,-0.1 -0.959 75.3 67.2-148.7 164.0 57.0 -0.4 71.2 76 76 A G S S+ 0 0 0 -2,-0.3 22,-3.0 1,-0.1 2,-0.4 0.093 89.0 75.7 109.0 -16.0 53.8 1.4 72.2 77 77 A V E -C 97 0B 10 -9,-0.3 2,-0.6 20,-0.2 -9,-0.4 -0.989 61.0-162.7-129.6 128.2 55.3 3.5 75.0 78 78 A I E -C 96 0B 48 18,-1.7 18,-1.9 -2,-0.4 -11,-0.1 -0.919 16.9-133.5-115.3 120.1 57.5 6.5 74.5 79 79 A G - 0 0 5 -2,-0.6 -14,-0.4 -13,-0.5 2,-0.4 -0.330 25.4-176.6 -64.5 138.0 59.6 7.8 77.3 80 80 A R - 0 0 23 -16,-0.1 14,-3.1 -15,-0.1 2,-0.4 -0.981 4.6-166.8-140.5 133.2 59.4 11.6 77.8 81 81 A Y E -AB 63 93A 37 -18,-0.8 -18,-2.7 -2,-0.4 2,-0.4 -0.942 15.1-133.3-125.5 133.8 61.4 13.6 80.3 82 82 A S E > -A 62 0A 0 10,-1.8 3,-1.0 9,-0.5 -20,-0.2 -0.702 3.5-151.2 -84.4 137.7 61.0 17.2 81.4 83 83 A D T 3 S+ 0 0 74 -22,-3.2 3,-0.3 -2,-0.4 -21,-0.1 0.533 101.8 59.2 -78.6 -5.3 63.9 19.6 81.7 84 84 A L T >> S+ 0 0 21 -23,-0.6 4,-3.3 1,-0.2 3,-0.6 0.142 70.1 121.2-100.6 19.8 62.0 21.3 84.4 85 85 A G T <4 S+ 0 0 9 -3,-1.0 7,-0.3 1,-0.3 -1,-0.2 0.675 70.5 51.2 -66.8 -20.7 62.0 18.1 86.4 86 86 A E T 34 S+ 0 0 194 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.864 117.7 38.3 -77.2 -37.8 63.7 19.6 89.4 87 87 A Q T <4 S+ 0 0 127 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.1 0.835 133.7 26.0 -78.3 -35.3 61.3 22.5 89.6 88 88 A I >< + 0 0 1 -4,-3.3 3,-1.8 1,-0.1 -1,-0.2 -0.711 69.8 172.9-129.5 79.8 58.2 20.4 88.7 89 89 A P G > S+ 0 0 75 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.777 71.0 72.0 -67.1 -22.2 59.0 16.8 89.8 90 90 A E G 3 S+ 0 0 31 1,-0.3 -43,-0.1 2,-0.1 -44,-0.1 0.655 106.9 37.1 -69.0 -12.7 55.5 15.5 89.0 91 91 A V G < S+ 0 0 0 -3,-1.8 -9,-0.5 -7,-0.1 -1,-0.3 0.270 82.4 108.5-115.6 10.4 56.3 15.8 85.3 92 92 A E S < S+ 0 0 35 -3,-1.4 -10,-1.8 -7,-0.3 2,-0.5 0.918 94.3 23.5 -57.0 -41.8 60.0 14.7 85.4 93 93 A H B S+B 81 0A 50 -4,-0.4 -12,-0.2 -12,-0.2 -1,-0.2 -0.985 75.5 162.1-116.9 129.2 59.0 11.5 83.7 94 94 A F + 0 0 0 -14,-3.1 48,-0.2 -2,-0.5 2,-0.1 -0.489 15.5 179.5-149.1 73.1 55.8 11.8 81.7 95 95 A H E - D 0 141B 0 46,-2.7 45,-1.6 44,-0.1 46,-0.8 -0.332 20.6-131.3 -85.0 158.1 55.6 9.0 79.3 96 96 A T E -CD 78 139B 9 -18,-1.9 -18,-1.7 43,-0.2 2,-0.5 -0.823 9.5-157.4-105.1 149.0 52.9 8.3 76.8 97 97 A M E -CD 77 138B 0 41,-1.9 41,-3.0 -2,-0.3 2,-0.6 -0.997 11.9-146.3-119.3 125.0 51.2 4.9 76.3 98 98 A R E - D 0 137B 52 -22,-3.0 65,-2.9 -2,-0.5 2,-0.5 -0.864 14.6-159.3 -92.3 125.8 49.5 4.5 72.9 99 99 A I E -ED 162 136B 0 37,-3.0 37,-2.8 -2,-0.6 63,-0.2 -0.910 23.8-114.6-116.4 121.6 46.4 2.3 73.3 100 100 A N - 0 0 2 61,-1.9 61,-0.2 -2,-0.5 35,-0.1 -0.315 32.9-138.9 -61.7 125.7 45.1 0.5 70.2 101 101 A Q - 0 0 2 326,-0.1 2,-0.1 1,-0.1 3,-0.1 -0.463 23.2 -99.8 -77.8 159.5 41.6 1.9 69.3 102 102 A P > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.498 62.1 -76.8 -67.8 151.9 38.8 -0.2 68.1 103 103 A S G > S+ 0 0 2 325,-0.3 3,-1.0 1,-0.3 86,-0.1 -0.246 119.2 7.2 -52.9 132.7 38.5 -0.1 64.4 104 104 A G G 3 S- 0 0 0 70,-0.3 -1,-0.3 1,-0.2 395,-0.2 0.611 118.4 -85.1 73.0 13.0 36.9 3.2 63.3 105 105 A W G < S+ 0 0 7 -3,-2.2 394,-1.2 1,-0.2 2,-0.4 0.808 76.6 161.2 55.8 38.8 36.9 4.6 66.8 106 106 A F E < +H 498 0C 1 -3,-1.0 2,-0.3 392,-0.2 392,-0.2 -0.740 12.2 174.0 -91.7 125.8 33.6 2.9 67.7 107 107 A Y E -H 497 0C 0 390,-2.9 390,-2.3 -2,-0.4 2,-0.3 -0.968 30.2-144.6-128.7 154.0 33.1 2.6 71.4 108 108 A S E > -H 496 0C 12 -2,-0.3 4,-2.0 388,-0.2 388,-0.2 -0.789 35.7-116.4 -99.3 159.4 30.5 1.5 73.9 109 109 A T H > S+ 0 0 10 386,-2.5 4,-2.8 -2,-0.3 5,-0.2 0.878 116.9 60.9 -64.8 -34.0 30.3 3.5 77.1 110 110 A K H > S+ 0 0 112 385,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.933 105.2 48.0 -54.7 -48.2 31.3 0.4 79.0 111 111 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.935 114.2 44.8 -57.9 -46.4 34.6 0.3 77.0 112 112 A L H X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.889 109.0 55.4 -70.3 -37.2 35.4 3.9 77.6 113 113 A R H X S+ 0 0 65 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.883 105.5 53.9 -63.8 -35.7 34.6 3.8 81.3 114 114 A G H X S+ 0 0 11 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.951 110.1 46.5 -60.7 -48.9 37.1 0.9 81.7 115 115 A L H X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.917 112.3 50.6 -60.4 -44.8 39.9 3.0 80.0 116 116 A C H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.894 110.1 49.9 -59.0 -42.8 39.0 6.0 82.2 117 117 A D H X S+ 0 0 87 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.914 113.0 46.0 -65.7 -41.5 39.1 3.9 85.4 118 118 A V H X S+ 0 0 7 -4,-2.3 4,-1.9 2,-0.2 3,-0.2 0.952 115.7 44.2 -67.6 -43.8 42.5 2.5 84.5 119 119 A W H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 6,-0.2 0.843 108.3 57.4 -75.0 -30.5 44.1 5.8 83.5 120 120 A E H < S+ 0 0 20 -4,-2.3 -80,-0.4 -5,-0.3 -1,-0.3 0.889 111.7 45.6 -60.0 -39.7 42.7 7.6 86.5 121 121 A K H < S+ 0 0 57 -4,-1.3 -82,-3.1 -3,-0.2 -2,-0.2 0.922 128.8 19.7 -68.1 -46.0 44.5 5.0 88.6 122 122 A W H < S+ 0 0 24 -4,-1.9 20,-0.5 -84,-0.2 -2,-0.2 0.600 118.0 38.3-108.0 -17.1 47.9 5.0 86.9 123 123 A G S < S- 0 0 0 -4,-2.8 -83,-0.5 -5,-0.2 18,-0.2 -0.495 90.6 -80.3-130.9-168.4 48.3 8.2 84.9 124 124 A S - 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0 0 11 -4,-2.8 4,-1.8 -5,-0.3 3,-0.2 0.069 21.8 -87.4 99.0 152.3 63.8 0.9 42.0 370 370 A M H > S+ 0 0 10 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.800 120.3 66.2 -62.4 -29.8 60.3 -0.3 41.2 371 371 A R H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.957 106.3 40.9 -59.1 -49.5 61.6 -3.3 39.3 372 372 A E H > S+ 0 0 48 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.936 115.4 51.4 -64.7 -46.5 63.0 -4.8 42.4 373 373 A F H X S+ 0 0 1 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.925 110.4 48.7 -55.2 -49.3 60.0 -3.8 44.5 374 374 A L H <>S+ 0 0 5 -4,-3.4 5,-2.4 1,-0.2 4,-0.3 0.883 110.0 51.0 -62.1 -39.5 57.6 -5.4 42.0 375 375 A K H ><5S+ 0 0 145 -4,-2.2 3,-1.1 -5,-0.2 -1,-0.2 0.907 106.6 56.0 -62.5 -41.0 59.6 -8.7 41.9 376 376 A V H 3<5S+ 0 0 40 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.937 113.9 38.5 -56.4 -46.1 59.5 -8.8 45.7 377 377 A I T 3<5S- 0 0 11 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.355 111.3-121.9 -89.3 7.1 55.6 -8.6 45.6 378 378 A G T < 5 + 0 0 47 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.2 0.835 69.1 126.9 57.7 39.5 55.4 -10.8 42.6 379 379 A R < - 0 0 65 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.840 56.4-117.6-120.6 161.6 53.5 -8.3 40.5 380 380 A E - 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