==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-SEP-08 2V4J . COMPND 2 MOLECULE: SULFITE REDUCTASE, DISSIMILATORY-TYPE SUBUNIT . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR T.F.OLIVEIRA,C.VONRHEIN,P.M.MATIAS,S.S.VENCESLAU, . 1838 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1139 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 222 12.1 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 . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 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 . 111 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 200 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 451 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.5 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 6 8 4 10 9 1 0 2 0 4 6 4 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 . 18 8 8 4 6 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 . 8 0 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 2 A A 0 0 50 0, 0.0 2,-0.5 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 159.3 49.9 -9.8 10.4 2 3 A K + 0 0 174 49,-0.0 2,-0.3 46,-0.0 46,-0.1 -0.929 360.0 179.1-109.3 123.5 50.7 -11.1 13.9 3 4 A H - 0 0 52 -2,-0.5 2,-0.3 44,-0.2 48,-0.0 -0.764 32.8-104.8-119.1 165.2 51.1 -8.5 16.7 4 5 A A - 0 0 82 -2,-0.3 3,-0.1 47,-0.1 50,-0.0 -0.712 30.2-175.6 -86.8 138.7 51.8 -8.6 20.4 5 6 A T > + 0 0 15 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.424 19.6 154.5-135.8 60.2 48.8 -7.9 22.5 6 7 A P T 4 S+ 0 0 80 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.785 78.8 45.6 -58.5 -32.5 49.9 -7.8 26.2 7 8 A K T >4 S+ 0 0 59 2,-0.2 3,-1.6 1,-0.1 4,-0.3 0.963 113.9 45.5 -77.0 -54.4 47.1 -5.5 27.2 8 9 A L G >4 S+ 0 0 0 1,-0.3 3,-2.2 2,-0.2 -1,-0.1 0.844 103.1 67.4 -56.4 -34.8 44.3 -7.3 25.4 9 10 A D G >< S+ 0 0 64 -4,-2.4 3,-1.4 1,-0.3 4,-0.3 0.778 90.6 63.0 -56.5 -29.2 45.6 -10.6 26.7 10 11 A Q G X S+ 0 0 92 -3,-1.6 3,-0.5 -4,-0.4 -1,-0.3 0.650 92.7 64.2 -71.9 -14.0 44.7 -9.5 30.2 11 12 A L G < S+ 0 0 0 -3,-2.2 9,-0.3 -4,-0.3 10,-0.3 0.264 86.2 73.1 -92.4 11.7 41.0 -9.5 29.1 12 13 A E G < S+ 0 0 31 -3,-1.4 551,-0.5 8,-0.1 -1,-0.2 0.641 87.6 73.0 -95.7 -17.8 41.2 -13.3 28.5 13 14 A S S < S+ 0 0 64 -3,-0.5 549,-0.1 -4,-0.3 550,-0.1 -0.278 71.7 61.2 -86.4 176.1 41.2 -13.9 32.3 14 15 A G S S- 0 0 31 1,-0.1 550,-0.1 547,-0.1 4,-0.1 -0.008 89.8 -85.9 88.1 163.7 38.1 -13.5 34.5 15 16 A P S S+ 0 0 41 0, 0.0 549,-2.5 0, 0.0 3,-0.1 0.889 93.1 95.0 -76.0 -45.0 34.7 -15.3 34.3 16 17 A W S S- 0 0 2 583,-0.2 549,-0.1 547,-0.2 587,-0.1 -0.244 94.3 -91.0 -54.6 132.5 32.8 -13.2 31.8 17 18 A P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.195 48.1-127.8 -47.5 124.9 33.0 -14.6 28.2 18 19 A S > - 0 0 0 -6,-0.2 4,-2.0 1,-0.2 5,-0.1 -0.725 18.5-162.3 -90.9 122.1 36.0 -12.9 26.6 19 20 A F H > S+ 0 0 3 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.845 96.6 55.6 -64.5 -32.3 35.7 -11.1 23.2 20 21 A V H > S+ 0 0 0 -9,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.963 107.3 46.8 -64.0 -52.8 39.5 -11.3 22.9 21 22 A S H > S+ 0 0 8 -10,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.874 114.8 49.3 -56.0 -39.7 39.5 -15.1 23.3 22 23 A D H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.897 109.9 48.7 -70.1 -40.5 36.7 -15.3 20.8 23 24 A I H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.900 110.9 52.6 -64.9 -39.0 38.4 -13.1 18.2 24 25 A K H X S+ 0 0 62 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.912 107.5 51.1 -62.3 -43.3 41.6 -15.2 18.7 25 26 A Q H X S+ 0 0 50 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.877 110.1 48.9 -63.9 -36.9 39.7 -18.4 18.0 26 27 A E H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.878 111.1 51.0 -69.6 -36.0 38.2 -17.0 14.8 27 28 A A H X S+ 0 0 15 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.944 112.1 46.7 -63.9 -46.1 41.7 -15.9 13.8 28 29 A A H X S+ 0 0 62 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.858 110.3 53.2 -63.2 -38.8 42.9 -19.4 14.5 29 30 A Y H X S+ 0 0 33 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.936 110.2 46.6 -64.8 -44.3 40.0 -21.0 12.6 30 31 A R H < S+ 0 0 1 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.868 110.4 52.8 -63.8 -40.4 40.7 -18.9 9.5 31 32 A A H < S+ 0 0 78 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.877 114.1 43.2 -63.7 -36.9 44.4 -19.6 9.6 32 33 A A H < S- 0 0 73 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.858 84.2-171.3 -76.4 -37.0 43.6 -23.4 9.7 33 34 A N >< - 0 0 39 -4,-2.6 3,-3.0 -5,-0.2 -3,-0.1 0.881 4.8-178.0 44.8 50.9 40.9 -23.1 7.0 34 35 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.620 79.5 53.5 -53.7 -15.0 39.8 -26.7 7.6 35 36 A K T 3 S- 0 0 113 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.380 107.5-124.3-100.8 0.3 37.2 -26.1 4.8 36 37 A G < + 0 0 63 -3,-3.0 2,-0.2 1,-0.2 -3,-0.1 0.931 45.9 178.6 55.6 46.6 39.8 -24.9 2.2 37 38 A L - 0 0 46 -4,-0.1 2,-1.3 -7,-0.1 -1,-0.2 -0.544 35.0-129.1 -80.1 147.1 37.8 -21.7 1.7 38 39 A D - 0 0 68 -2,-0.2 402,-0.1 400,-0.0 -1,-0.1 -0.688 33.2-140.7 -95.5 80.6 39.1 -19.1 -0.8 39 40 A Y - 0 0 20 -2,-1.3 85,-0.2 1,-0.2 4,-0.1 -0.162 10.8-156.0 -47.9 120.9 38.9 -16.2 1.6 40 41 A Q S S+ 0 0 23 83,-3.2 84,-0.2 82,-0.1 -1,-0.2 0.710 80.5 38.6 -74.1 -20.5 37.6 -13.0 -0.1 41 42 A V S S- 0 0 7 82,-0.4 4,-0.1 84,-0.3 84,-0.1 -0.851 115.5 -60.0-125.1 161.1 39.2 -10.7 2.4 42 43 A P > - 0 0 37 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.075 40.3-139.1 -43.1 130.2 42.6 -11.1 4.2 43 44 A V T 3 S+ 0 0 64 1,-0.3 4,-0.2 -4,-0.1 -13,-0.1 0.877 105.1 53.7 -58.7 -37.9 42.8 -14.3 6.2 44 45 A D T >> S+ 0 0 51 1,-0.2 4,-2.5 2,-0.1 3,-0.7 0.268 73.4 117.3 -82.9 11.4 44.5 -12.3 9.0 45 46 A C H <> S+ 0 0 2 -3,-1.7 4,-1.7 1,-0.3 -1,-0.2 0.862 76.6 45.6 -45.3 -49.5 41.7 -9.8 9.1 46 47 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.781 111.6 52.7 -68.3 -30.5 40.7 -10.6 12.8 47 48 A E H <> S+ 0 0 56 -3,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.871 108.1 50.5 -72.5 -38.0 44.3 -10.6 13.9 48 49 A D H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.879 106.4 55.5 -68.7 -33.7 44.8 -7.1 12.4 49 50 A L H X S+ 0 0 1 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.928 108.6 47.7 -61.0 -45.7 41.7 -5.9 14.2 50 51 A L H X S+ 0 0 7 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.852 109.6 54.9 -63.5 -32.9 43.3 -7.1 17.4 51 52 A G H X S+ 0 0 4 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.920 110.6 43.6 -66.2 -44.1 46.5 -5.3 16.4 52 53 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.898 112.3 53.3 -66.8 -42.8 44.7 -2.0 15.9 53 54 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.900 106.9 51.6 -61.4 -41.3 42.8 -2.5 19.2 54 55 A E H X S+ 0 0 19 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.920 109.9 50.6 -61.4 -42.1 46.0 -3.0 21.1 55 56 A L H X S+ 0 0 21 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.940 109.6 49.3 -61.1 -47.7 47.4 0.2 19.6 56 57 A S H X>S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.9 0.898 110.2 51.5 -58.8 -40.5 44.3 2.1 20.6 57 58 A Y H <5S+ 0 0 4 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.865 111.2 49.3 -63.3 -36.7 44.6 0.7 24.1 58 59 A D H <5S+ 0 0 105 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.949 123.8 28.3 -66.9 -50.0 48.2 1.9 24.1 59 60 A E H <5S- 0 0 59 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.634 99.2-130.3 -88.5 -15.1 47.5 5.4 22.9 60 61 A G T <5S+ 0 0 7 -4,-2.7 2,-0.3 -5,-0.3 651,-0.2 0.849 72.3 103.6 67.6 35.5 44.0 5.7 24.4 61 62 A E S - 0 0 5 -2,-0.3 3,-2.0 5,-0.2 5,-0.1 -0.974 52.3 -94.9-126.4 134.6 24.7 -1.2 -2.3 73 74 A F T 3 S+ 0 0 21 -2,-0.4 829,-0.2 1,-0.2 3,-0.1 -0.157 109.4 25.3 -49.6 141.3 23.0 -0.1 -5.5 74 75 A G T 3 S+ 0 0 2 827,-2.8 2,-0.3 1,-0.2 -1,-0.2 0.105 110.2 84.8 90.7 -20.3 19.3 0.8 -5.1 75 76 A Y < - 0 0 4 -3,-2.0 -1,-0.2 1,-0.1 131,-0.2 -0.813 59.4-157.6-114.3 156.1 19.7 1.6 -1.4 76 77 A G S S+ 0 0 35 129,-3.6 2,-0.2 -2,-0.3 130,-0.2 0.511 78.9 7.3-105.3 -11.4 20.8 4.8 0.3 77 78 A G + 0 0 10 128,-0.9 -5,-0.2 844,-0.1 90,-0.1 -0.864 67.7 104.3-153.0-174.9 21.9 3.2 3.6 78 79 A G S S+ 0 0 0 -2,-0.2 22,-2.4 1,-0.1 2,-0.4 0.113 74.4 80.4 117.0 -20.1 22.5 -0.2 5.3 79 80 A V E -B 99 0B 7 -9,-0.3 2,-0.9 20,-0.2 -9,-0.4 -0.983 60.3-155.5-124.6 127.4 26.3 -0.3 5.2 80 81 A I E -B 98 0B 18 18,-2.5 18,-2.1 -2,-0.4 -11,-0.1 -0.818 19.3-153.4-101.4 94.1 28.6 1.6 7.6 81 82 A G + 0 0 0 -2,-0.9 2,-0.3 -13,-0.4 16,-0.1 -0.302 17.9 175.8 -65.2 148.6 31.9 2.1 5.8 82 83 A R - 0 0 20 505,-0.0 14,-2.7 -13,-0.0 2,-0.4 -0.970 13.6-163.9-157.2 139.4 35.1 2.4 7.9 83 84 A Y B -G 95 0C 8 -16,-0.4 -18,-3.2 -18,-0.3 12,-0.2 -0.992 25.3-118.3-131.1 132.9 38.8 2.7 7.2 84 85 A C B -A 64 0A 1 9,-0.9 -20,-0.2 10,-0.7 6,-0.0 -0.364 16.9-137.1 -65.0 143.1 41.8 2.2 9.5 85 86 A D S S+ 0 0 4 -22,-2.9 1272,-1.0 1,-0.3 -1,-0.1 0.453 103.5 42.4 -82.6 1.1 43.9 5.3 9.9 86 87 A Q S > S+ 0 0 18 -23,-0.4 4,-1.7 4,-0.1 3,-0.4 -0.474 70.2 164.0-142.7 62.1 47.1 3.3 9.6 87 88 A P T 4 S+ 0 0 46 0, 0.0 7,-0.2 0, 0.0 6,-0.1 0.639 73.9 52.9 -56.1 -26.7 46.2 0.9 6.6 88 89 A E T 4 S+ 0 0 188 2,-0.2 4,-0.1 1,-0.1 6,-0.1 0.876 109.9 47.4 -82.8 -35.9 49.8 -0.1 6.0 89 90 A K T 4 S+ 0 0 117 -3,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.839 130.7 22.2 -70.6 -34.2 50.4 -1.2 9.6 90 91 A F >< + 0 0 13 -4,-1.7 3,-1.7 1,-0.1 -1,-0.3 -0.518 69.3 162.8-134.8 67.0 47.1 -3.1 9.6 91 92 A P G > S+ 0 0 65 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.696 70.2 71.7 -57.1 -26.4 46.2 -4.0 6.0 92 93 A G G 3 S+ 0 0 3 1,-0.3 3,-0.1 -48,-0.1 -47,-0.1 0.792 110.4 31.2 -63.2 -28.7 43.7 -6.6 7.1 93 94 A V G < S+ 0 0 0 -3,-1.7 -9,-0.9 1,-0.1 -1,-0.3 -0.034 78.6 116.7-118.2 27.4 41.4 -3.8 8.3 94 95 A A S < S+ 0 0 24 -3,-1.3 -10,-0.7 1,-0.3 2,-0.5 0.923 94.2 29.2 -59.8 -39.6 42.3 -1.1 5.8 95 96 A H B S+G 83 0C 50 -4,-0.4 -1,-0.3 -12,-0.2 -12,-0.2 -0.990 74.3 163.7-117.1 123.6 38.6 -1.6 4.8 96 97 A F + 0 0 0 -14,-2.7 48,-0.2 -2,-0.5 -13,-0.1 -0.298 13.9 172.5-139.7 52.8 36.5 -2.7 7.8 97 98 A H - 0 0 0 46,-1.8 45,-1.9 -15,-0.1 2,-0.4 -0.232 23.8-138.1 -66.3 150.1 32.9 -2.0 6.7 98 99 A T E -BC 80 141B 7 -18,-2.1 -18,-2.5 43,-0.2 2,-0.5 -0.909 9.7-153.2-110.6 135.6 29.9 -3.1 8.8 99 100 A V E -BC 79 140B 4 41,-2.3 41,-2.7 -2,-0.4 2,-0.6 -0.951 7.0-147.5-111.6 124.3 26.8 -4.6 7.2 100 101 A R E - C 0 139B 54 -22,-2.4 64,-2.5 -2,-0.5 2,-0.4 -0.819 16.5-164.6 -92.6 121.8 23.5 -4.2 8.9 101 102 A V E -DC 163 138B 0 37,-3.0 37,-3.0 -2,-0.6 62,-0.2 -0.928 24.9-110.3-112.4 130.7 21.2 -7.2 8.3 102 103 A A - 0 0 6 60,-1.9 358,-0.4 -2,-0.4 60,-0.1 -0.341 37.3-157.5 -60.4 126.6 17.4 -7.2 9.0 103 104 A Q - 0 0 5 356,-0.2 2,-0.2 -2,-0.1 359,-0.1 -0.641 23.2 -96.7-104.3 160.3 16.6 -9.5 11.9 104 105 A P > - 0 0 0 0, 0.0 3,-2.6 0, 0.0 2,-0.2 -0.535 52.6 -93.2 -76.1 144.4 13.3 -11.3 12.9 105 106 A S T 3 S+ 0 0 2 355,-0.3 3,-0.3 1,-0.3 69,-0.1 -0.371 115.0 13.3 -59.1 121.8 11.2 -9.4 15.5 106 107 A G T 3 S- 0 0 0 69,-0.3 425,-0.3 -2,-0.2 -1,-0.3 0.371 113.5-104.5 89.6 -5.1 12.1 -10.7 19.0 107 108 A K < + 0 0 7 -3,-2.6 424,-1.3 1,-0.2 2,-0.6 0.839 58.8 165.0 55.5 45.7 15.2 -12.4 17.5 108 109 A Y E +H 530 0D 1 -3,-0.3 357,-0.4 354,-0.3 2,-0.3 -0.817 16.6 179.2 -91.0 124.4 14.0 -16.1 17.4 109 110 A Y E -H 529 0D 0 420,-2.8 420,-1.9 -2,-0.6 2,-0.3 -0.806 27.9-133.2-123.1 168.6 16.4 -18.1 15.2 110 111 A S E > -H 528 0D 18 -2,-0.3 4,-2.0 418,-0.2 418,-0.2 -0.869 26.1-124.1-116.4 149.3 16.9 -21.6 13.9 111 112 A A H > S+ 0 0 1 416,-3.0 4,-2.0 -2,-0.3 5,-0.1 0.843 112.4 54.7 -59.8 -34.6 20.4 -23.1 13.9 112 113 A D H > S+ 0 0 98 415,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 106.4 48.8 -67.1 -45.6 20.0 -23.7 10.1 113 114 A Y H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.936 112.9 48.0 -58.6 -48.3 19.3 -20.1 9.3 114 115 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.890 108.3 54.8 -62.5 -38.5 22.2 -18.9 11.4 115 116 A R H X S+ 0 0 62 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.897 107.0 49.8 -62.1 -43.0 24.6 -21.4 9.8 116 117 A Q H X S+ 0 0 64 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.879 110.9 50.3 -61.5 -42.3 23.8 -20.2 6.3 117 118 A L H X S+ 0 0 5 -4,-1.8 4,-2.2 1,-0.2 3,-0.2 0.952 110.9 48.8 -61.1 -48.1 24.4 -16.7 7.4 118 119 A C H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.858 106.7 56.7 -58.9 -39.2 27.8 -17.6 8.9 119 120 A D H X S+ 0 0 89 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.889 108.2 47.7 -60.2 -41.5 28.7 -19.5 5.7 120 121 A I H X S+ 0 0 14 -4,-1.6 4,-1.7 -3,-0.2 -2,-0.2 0.949 115.8 43.0 -63.1 -50.7 28.1 -16.3 3.7 121 122 A W H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 6,-0.4 0.768 105.0 65.4 -67.7 -29.7 30.2 -14.1 6.1 122 123 A D H < S+ 0 0 1 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.936 110.4 34.9 -57.7 -50.2 32.9 -16.7 6.4 123 124 A L H < S+ 0 0 29 -4,-1.3 -83,-3.2 -3,-0.2 -82,-0.4 0.859 132.4 26.4 -76.0 -39.4 34.0 -16.4 2.8 124 125 A R H < S+ 0 0 2 -4,-1.7 20,-0.4 -84,-0.2 -2,-0.2 0.428 118.2 51.6-109.1 0.8 33.3 -12.7 2.2 125 126 A G S < S- 0 0 0 -4,-2.1 -84,-0.3 -5,-0.2 18,-0.2 -0.525 89.1 -97.7-124.0-169.0 33.8 -11.2 5.7 126 127 A S - 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0 0 39 -2,-0.4 -11,-0.0 -3,-0.1 41,-0.0 -0.709 30.9-168.7 -85.9 97.9 25.8 74.6 34.8 1781 43 F S > - 0 0 41 -2,-1.1 4,-2.0 1,-0.1 5,-0.1 -0.060 38.2 -98.0 -75.8-178.5 29.4 73.8 35.5 1782 44 F P H > S+ 0 0 105 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.761 125.3 57.1 -73.3 -25.1 31.8 71.9 33.2 1783 45 F D H > S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.864 106.3 49.8 -72.6 -34.8 31.1 68.7 35.1 1784 46 F H H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.963 111.9 47.7 -64.3 -52.1 27.4 69.1 34.4 1785 47 F Q H X S+ 0 0 64 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.834 106.9 57.5 -57.9 -36.7 28.2 69.6 30.7 1786 48 F K H X S+ 0 0 104 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.924 110.0 43.7 -61.0 -46.0 30.5 66.6 30.7 1787 49 F I H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.2 -2,-0.2 0.925 115.1 48.7 -65.3 -45.6 27.6 64.4 31.9 1788 50 F I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.915 111.3 50.4 -61.2 -44.5 25.2 66.0 29.5 1789 51 F D H X S+ 0 0 66 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.921 109.6 51.2 -60.0 -46.2 27.6 65.6 26.6 1790 52 F F H X S+ 0 0 29 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.940 108.6 49.8 -58.1 -51.6 28.1 61.9 27.4 1791 53 F L H X S+ 0 0 4 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.929 113.4 47.5 -53.6 -47.2 24.4 61.0 27.5 1792 54 F Q H X S+ 0 0 15 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.919 113.1 47.0 -62.3 -44.9 23.9 62.8 24.1 1793 55 F D H X S+ 0 0 102 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.963 114.6 47.2 -60.7 -52.2 26.9 61.0 22.5 1794 56 F Y H X S+ 0 0 47 -4,-3.1 4,-3.0 1,-0.2 6,-0.4 0.898 113.9 47.6 -56.1 -45.7 25.8 57.6 23.8 1795 57 F Y H X S+ 0 0 22 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.933 111.2 49.1 -63.8 -47.9 22.2 58.1 22.8 1796 58 F K H < S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.879 120.3 39.2 -58.8 -37.6 23.1 59.3 19.2 1797 59 F K H < S+ 0 0 180 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.832 130.8 23.3 -82.2 -36.6 25.4 56.3 18.9 1798 60 F N H < S- 0 0 71 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.600 87.0-128.5-110.6 -15.0 23.3 53.6 20.6 1799 61 F G S < S+ 0 0 26 -4,-2.8 2,-0.3 -5,-0.3 -215,-0.3 0.564 83.3 79.6 76.3 7.2 19.7 54.6 20.5 1800 62 F I S S- 0 0 34 -6,-0.4 -2,-0.3 -219,-0.1 -1,-0.2 -0.954 86.5-104.3-141.0 160.3 19.5 54.0 24.3 1801 63 F A - 0 0 23 -2,-0.3 2,-0.1 -3,-0.1 3,-0.1 -0.568 49.5-105.2 -80.0 144.9 20.4 55.8 27.5 1802 64 F P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.424 34.3-102.7 -74.3 154.8 23.5 54.4 29.1 1803 65 F M >> - 0 0 44 1,-0.1 4,-2.3 -2,-0.1 3,-1.1 -0.355 36.1-109.3 -65.5 152.6 23.3 52.2 32.2 1804 66 F V H 3> S+ 0 0 41 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.844 120.2 52.9 -51.8 -41.0 24.2 54.0 35.4 1805 67 F R H 3> S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.784 109.4 49.8 -68.8 -26.0 27.5 52.0 35.7 1806 68 F I H <> S+ 0 0 32 -3,-1.1 4,-2.5 2,-0.2 5,-0.4 0.873 108.9 50.9 -79.1 -38.7 28.4 53.0 32.1 1807 69 F L H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 6,-0.4 0.950 113.7 45.9 -62.2 -46.8 27.7 56.7 32.8 1808 70 F S H X S+ 0 0 23 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.908 114.3 47.1 -61.9 -46.7 29.9 56.5 35.9 1809 71 F K H < S+ 0 0 176 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.934 119.1 37.5 -63.1 -50.6 32.7 54.6 34.1 1810 72 F N H < S+ 0 0 109 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.860 124.1 42.9 -69.1 -37.4 32.9 56.7 31.0 1811 73 F T H < S- 0 0 7 -4,-2.4 -2,-0.2 -5,-0.4 -3,-0.2 0.743 96.3-137.2 -81.3 -27.8 32.3 59.9 33.0 1812 74 F G < + 0 0 54 -4,-2.4 2,-0.7 1,-0.3 -3,-0.1 0.348 64.0 127.2 83.4 -6.4 34.6 59.1 35.9 1813 75 F F - 0 0 14 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.756 55.6-140.5 -88.6 116.0 31.9 60.4 38.2 1814 76 F K > - 0 0 154 -2,-0.7 4,-2.3 -3,-0.1 5,-0.2 -0.233 32.8 -99.9 -65.8 162.2 30.9 58.0 40.9 1815 77 F L H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.876 124.3 55.2 -53.2 -42.3 27.1 57.9 41.7 1816 78 F K H > S+ 0 0 141 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.941 109.3 47.4 -56.4 -48.3 27.5 60.1 44.7 1817 79 F E H > S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 108.3 55.5 -60.7 -41.9 29.2 62.8 42.5 1818 80 F V H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.898 107.8 48.6 -58.7 -42.0 26.4 62.4 39.9 1819 81 F Y H < S+ 0 0 6 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.790 106.1 57.2 -70.9 -26.3 23.8 63.2 42.6 1820 82 F E H < S+ 0 0 129 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.885 115.2 37.7 -69.5 -37.6 25.8 66.2 43.8 1821 83 F L H < S+ 0 0 22 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.921 131.1 29.5 -77.2 -48.1 25.6 67.6 40.2 1822 84 F F S >< S- 0 0 0 -4,-3.2 3,-2.0 -5,-0.2 -1,-0.3 -0.876 70.6-168.3-120.1 95.3 22.1 66.4 39.5 1823 85 F P T 3 S+ 0 0 6 0, 0.0 -827,-3.5 0, 0.0 -1,-0.1 0.751 88.3 49.9 -50.1 -38.2 20.0 66.3 42.8 1824 86 F S T 3> S- 0 0 5 -49,-0.4 4,-0.5 1,-0.3 3,-0.2 0.425 118.2-111.9 -87.0 0.7 17.1 64.3 41.2 1825 87 F G H <>> - 0 0 1 -3,-2.0 5,-1.5 -6,-0.2 4,-1.0 -0.303 36.9 -58.2 99.5 177.9 19.5 61.8 39.7 1826 88 F P H 4>S+ 0 0 16 0, 0.0 5,-1.6 0, 0.0 -1,-0.2 0.744 129.2 43.8 -69.5 -26.8 20.8 60.7 36.3 1827 89 F G H 4>S+ 0 0 22 -3,-0.2 5,-1.0 3,-0.2 4,-0.4 0.965 123.6 25.7 -82.9 -74.3 17.3 59.8 35.1 1828 90 F K H <5S+ 0 0 34 -4,-0.5 -3,-0.2 3,-0.2 5,-0.1 0.809 136.4 33.1 -61.8 -31.7 14.9 62.6 36.1 1829 91 F G T X5S+ 0 0 0 -4,-1.0 4,-2.4 -7,-0.2 5,-0.2 0.939 126.4 25.8 -88.7 -77.6 17.8 65.1 36.2 1830 92 F A H >XS+ 0 0 10 -5,-1.6 5,-1.8 -4,-0.4 4,-0.9 0.921 112.7 47.7 -64.7 -41.8 18.4 62.7 31.1 1832 94 F K H >4