==== 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 3MM8 . 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) . 51547.0 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 . 218 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 . 115 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 397 25.4 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 8 7 2 4 4 2 1 5 0 1 3 3 0 9 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 10 8 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 0 116 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.7 46.6 33.8 88.8 2 2 A E + 0 0 172 1,-0.2 50,-0.0 2,-0.1 0, 0.0 0.721 360.0 32.1 -76.8 -24.5 49.2 30.9 88.7 3 3 A T > + 0 0 5 1,-0.1 4,-2.0 2,-0.1 -1,-0.2 -0.485 65.5 160.4-134.9 66.7 48.8 30.7 84.9 4 4 A P H > S+ 0 0 77 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.795 78.4 49.5 -62.3 -30.4 48.0 34.1 83.4 5 5 A L H 4 S+ 0 0 36 2,-0.2 3,-0.4 1,-0.2 4,-0.3 0.895 113.4 44.0 -75.3 -39.3 49.1 33.1 79.9 6 6 A L H >4 S+ 0 0 0 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.781 102.2 68.3 -78.1 -25.3 47.0 29.9 79.7 7 7 A D H >X S+ 0 0 39 -4,-2.0 3,-2.3 1,-0.3 4,-0.5 0.840 88.8 65.2 -58.5 -35.0 44.0 31.6 81.3 8 8 A E G >< S+ 0 0 67 -4,-0.7 3,-0.8 -3,-0.4 -1,-0.3 0.799 96.0 59.3 -55.6 -28.8 43.7 33.6 78.1 9 9 A L G <4 S+ 0 0 0 -3,-1.2 9,-0.4 -4,-0.3 10,-0.3 0.301 90.4 66.6 -91.4 9.1 42.9 30.3 76.5 10 10 A E G <4 S+ 0 0 82 -3,-2.3 -1,-0.2 8,-0.1 -2,-0.2 0.531 91.3 82.1 -93.8 -15.4 39.9 29.7 78.7 11 11 A K S << S+ 0 0 122 -3,-0.8 3,-0.1 -4,-0.5 560,-0.1 -0.447 70.5 54.6 -77.5 161.5 38.3 32.7 76.9 12 12 A G S S- 0 0 45 -2,-0.1 4,-0.1 1,-0.1 559,-0.1 0.015 88.0 -89.1 92.9 159.4 36.6 32.3 73.5 13 13 A P S S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 558,-0.1 0.793 93.3 94.0 -78.8 -30.4 33.9 30.0 72.1 14 14 A W S S- 0 0 5 553,-0.2 557,-0.1 1,-0.1 514,-0.1 -0.389 94.2 -94.2 -65.9 136.5 36.0 27.0 71.0 15 15 A P - 0 0 11 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.265 48.4-120.9 -56.2 140.6 36.2 24.3 73.7 16 16 A S > - 0 0 8 1,-0.1 4,-2.0 -6,-0.1 5,-0.1 -0.718 19.5-160.4 -99.4 126.1 39.4 24.9 75.7 17 17 A F H > S+ 0 0 6 -2,-0.5 4,-2.2 2,-0.2 -1,-0.1 0.803 99.5 59.2 -63.8 -29.8 42.3 22.4 76.2 18 18 A V H > S+ 0 0 0 -9,-0.4 4,-3.1 2,-0.2 5,-0.2 0.957 103.8 49.9 -64.2 -48.4 43.3 24.4 79.3 19 19 A K H > S+ 0 0 79 -10,-0.3 4,-2.9 1,-0.2 5,-0.3 0.908 108.4 54.0 -51.3 -47.8 39.8 23.7 80.8 20 20 A E H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.923 112.0 44.2 -52.1 -46.4 40.4 20.0 80.0 21 21 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.944 115.7 46.0 -66.2 -48.9 43.8 20.2 81.9 22 22 A K H X S+ 0 0 35 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.890 110.2 53.8 -62.1 -41.5 42.4 22.1 84.9 23 23 A K H X S+ 0 0 24 -4,-2.9 4,-2.4 -5,-0.2 5,-0.3 0.940 110.9 47.2 -57.3 -47.2 39.3 19.9 85.1 24 24 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 5,-0.3 0.924 112.1 50.0 -58.3 -48.5 41.6 16.9 85.3 25 25 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.942 112.7 45.5 -57.6 -52.3 43.8 18.5 87.9 26 26 A E H X S+ 0 0 110 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.889 118.2 40.9 -60.1 -44.5 40.9 19.5 90.2 27 27 A L H X S+ 0 0 58 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.767 114.0 51.5 -83.6 -26.2 39.1 16.2 90.1 28 28 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.876 113.4 46.3 -70.1 -40.9 42.2 14.0 90.3 29 29 A E H X S+ 0 0 66 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.889 114.3 47.9 -66.3 -40.9 43.3 16.0 93.4 30 30 A K H X S+ 0 0 117 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.902 109.5 52.7 -65.5 -44.7 39.8 15.7 94.8 31 31 A A H <>S+ 0 0 4 -4,-2.2 5,-2.3 1,-0.2 3,-0.3 0.906 111.2 46.5 -57.0 -44.3 39.7 11.9 94.1 32 32 A A H ><5S+ 0 0 35 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.801 109.4 55.6 -68.7 -29.3 43.0 11.5 96.0 33 33 A A H 3<5S+ 0 0 87 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.756 103.6 54.3 -74.1 -26.6 41.6 13.6 98.8 34 34 A E T 3<5S- 0 0 115 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.358 124.3-104.2 -85.5 3.3 38.6 11.3 99.1 35 35 A G T < 5 + 0 0 68 -3,-0.8 -3,-0.2 1,-0.3 -2,-0.1 0.596 67.3 153.8 83.9 12.5 41.0 8.3 99.5 36 36 A K < - 0 0 107 -5,-2.3 2,-1.5 -6,-0.2 -1,-0.3 -0.451 59.2-100.0 -67.7 147.6 40.5 6.9 96.1 37 37 A D + 0 0 92 -2,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.548 64.4 151.1 -72.8 89.8 43.5 4.8 94.8 38 38 A V - 0 0 15 -2,-1.5 83,-0.2 1,-0.1 84,-0.2 -0.970 27.0-172.5-127.5 112.9 45.2 7.4 92.6 39 39 A K S S+ 0 0 81 82,-2.7 3,-0.1 -2,-0.5 83,-0.1 0.768 82.0 38.0 -78.8 -28.0 48.9 7.2 92.1 40 40 A M > + 0 0 10 83,-0.4 3,-0.8 80,-0.4 4,-0.4 -0.506 61.9 149.8-125.0 64.5 49.5 10.5 90.2 41 41 A P T 3 S+ 0 0 33 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.786 78.0 44.3 -64.8 -29.7 47.1 13.1 91.6 42 42 A K T 3> S+ 0 0 123 1,-0.2 4,-2.6 -3,-0.1 5,-0.2 0.407 83.9 98.5 -98.8 -0.2 49.4 16.1 90.9 43 43 A G H <> S+ 0 0 1 -3,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.884 84.6 44.9 -58.5 -45.1 50.4 15.1 87.3 44 44 A A H > S+ 0 0 0 80,-0.4 4,-2.1 -4,-0.4 -1,-0.2 0.863 113.4 49.1 -71.0 -40.3 48.0 17.3 85.5 45 45 A R H > S+ 0 0 73 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.893 110.6 52.6 -62.4 -40.2 48.7 20.4 87.6 46 46 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.873 108.2 50.5 -63.2 -38.9 52.4 19.7 87.0 47 47 A L H X S+ 0 0 1 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.926 109.3 51.7 -62.9 -44.6 51.8 19.7 83.3 48 48 A L H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.948 109.2 49.0 -58.2 -53.0 49.9 22.9 83.6 49 49 A K H X S+ 0 0 81 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.905 113.1 47.7 -53.0 -46.5 52.8 24.6 85.5 50 50 A Q H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.899 111.0 50.9 -61.7 -41.1 55.3 23.4 82.9 51 51 A L H X S+ 0 0 1 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.865 107.5 53.0 -68.6 -36.5 53.1 24.5 80.0 52 52 A E H X S+ 0 0 21 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.926 110.3 47.2 -60.9 -49.3 52.7 28.0 81.5 53 53 A I H X S+ 0 0 43 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.846 110.6 53.9 -60.0 -35.8 56.6 28.4 81.8 54 54 A S H X>S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 5,-0.8 0.809 107.6 49.7 -69.4 -30.5 56.8 27.1 78.2 55 55 A Y H <5S+ 0 0 4 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.890 112.4 47.9 -72.5 -41.7 54.4 29.8 77.1 56 56 A K H <5S+ 0 0 142 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.853 120.9 36.2 -60.5 -43.4 56.5 32.4 78.9 57 57 A D H <5S- 0 0 59 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.569 97.6-136.3 -88.7 -12.7 59.7 31.1 77.4 58 58 A K T <5S+ 0 0 48 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.763 72.3 93.4 56.5 29.8 58.3 30.2 73.9 59 59 A K S - 0 0 3 -2,-0.3 3,-2.1 5,-0.3 5,-0.1 -0.664 62.9 -76.6 -91.5 154.8 56.1 -2.9 79.3 71 71 A V T 3 S+ 0 0 109 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.276 117.7 12.7 -57.5 121.6 57.3 -6.4 79.8 72 72 A G T 3 S+ 0 0 44 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.219 111.7 88.3 100.8 -12.8 57.3 -8.4 76.6 73 73 A Y < - 0 0 9 -3,-2.1 -1,-0.3 1,-0.1 132,-0.2 -0.879 50.3-169.0-117.1 148.3 56.8 -5.5 74.3 74 74 A G S S+ 0 0 48 130,-3.1 2,-0.3 -2,-0.3 131,-0.2 0.349 74.5 41.4-110.5 1.0 59.5 -3.2 72.7 75 75 A G S S+ 0 0 3 129,-1.2 -5,-0.3 -5,-0.1 91,-0.1 -0.910 73.6 64.9-145.6 166.8 57.0 -0.6 71.5 76 76 A G S S+ 0 0 0 -2,-0.3 22,-2.8 1,-0.1 2,-0.4 0.310 84.3 85.5 98.9 -5.9 53.9 1.4 72.3 77 77 A V E -C 97 0B 7 -9,-0.3 2,-0.6 20,-0.2 -9,-0.4 -0.985 60.2-157.4-128.1 125.4 55.3 3.4 75.2 78 78 A I E -C 96 0B 39 18,-2.2 18,-2.1 -2,-0.4 2,-0.3 -0.883 14.1-138.1-103.7 120.1 57.2 6.7 74.6 79 79 A G + 0 0 7 -2,-0.6 -14,-0.4 -13,-0.2 2,-0.3 -0.566 26.7 178.8 -72.3 135.0 59.6 7.8 77.4 80 80 A R - 0 0 27 -2,-0.3 14,-2.2 -16,-0.1 2,-0.4 -0.977 6.9-172.9-145.8 128.5 59.4 11.5 78.0 81 81 A Y E -AB 63 93A 45 -18,-0.8 -18,-3.4 -2,-0.3 2,-0.4 -0.950 18.0-132.5-127.0 140.6 61.3 13.6 80.6 82 82 A S E > -A 62 0A 2 10,-1.3 3,-0.8 9,-0.5 -20,-0.3 -0.755 6.9-146.5 -92.4 136.1 61.1 17.2 81.7 83 83 A D T 3 S+ 0 0 73 -22,-2.7 3,-0.2 -2,-0.4 -21,-0.1 0.390 99.3 71.1 -75.0 4.8 64.1 19.5 82.0 84 84 A L T 3> + 0 0 18 -23,-0.5 4,-3.0 1,-0.2 -1,-0.3 -0.088 64.5 134.9-109.8 31.2 62.2 21.1 84.8 85 85 A G T <4 + 0 0 5 -3,-0.8 7,-0.2 1,-0.2 6,-0.2 0.881 68.7 37.9 -45.9 -61.2 62.7 18.0 87.0 86 86 A E T 4 S+ 0 0 182 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.887 120.0 47.2 -69.5 -33.9 63.7 19.5 90.4 87 87 A Q T 4 S+ 0 0 133 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.920 129.2 22.8 -69.9 -45.4 61.3 22.4 90.1 88 88 A I S >< S+ 0 0 2 -4,-3.0 3,-1.4 1,-0.1 -1,-0.3 -0.751 71.6 170.7-121.7 81.0 58.3 20.3 89.1 89 89 A P G > + 0 0 66 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.779 68.7 71.0 -67.8 -24.5 59.1 16.7 90.3 90 90 A E G 3 S+ 0 0 34 1,-0.3 -43,-0.1 2,-0.1 -44,-0.1 0.591 107.8 36.1 -68.9 -12.6 55.6 15.4 89.5 91 91 A V G < S+ 0 0 0 -3,-1.4 -9,-0.5 -6,-0.2 -1,-0.3 0.190 81.6 107.0-121.4 12.6 56.3 15.6 85.7 92 92 A E S < S+ 0 0 78 -3,-1.4 -10,-1.3 -7,-0.2 2,-0.5 0.948 95.1 30.6 -52.8 -50.7 60.0 14.6 85.9 93 93 A H B S+B 81 0A 37 -4,-0.5 -1,-0.2 -12,-0.2 -12,-0.2 -0.947 75.3 157.2-103.9 130.0 58.8 11.3 84.4 94 94 A F - 0 0 0 -14,-2.2 48,-0.2 -2,-0.5 2,-0.1 -0.450 17.6-179.8-153.1 73.7 55.8 11.8 82.2 95 95 A H E - D 0 141B 0 46,-3.3 45,-1.6 44,-0.1 46,-0.8 -0.377 21.2-131.9 -85.6 155.0 55.5 9.0 79.7 96 96 A T E -CD 78 139B 7 -18,-2.1 -18,-2.2 43,-0.2 2,-0.5 -0.872 11.9-159.8-103.0 134.0 52.9 8.3 77.0 97 97 A M E -CD 77 138B 0 41,-1.9 41,-3.1 -2,-0.4 2,-0.6 -0.976 11.4-146.7-112.0 124.6 51.2 5.0 76.5 98 98 A R E - D 0 137B 55 -22,-2.8 65,-3.1 -2,-0.5 2,-0.5 -0.823 14.2-159.8 -94.2 119.6 49.6 4.4 73.1 99 99 A I E -ED 162 136B 0 37,-3.4 37,-2.7 -2,-0.6 63,-0.2 -0.891 22.5-113.9-106.3 126.8 46.4 2.3 73.4 100 100 A N - 0 0 2 61,-2.0 61,-0.2 -2,-0.5 35,-0.1 -0.317 33.6-138.5 -63.0 128.8 45.1 0.4 70.3 101 101 A Q - 0 0 3 326,-0.1 2,-0.2 1,-0.1 34,-0.1 -0.430 19.9-101.4 -84.6 158.4 41.7 1.8 69.2 102 102 A P > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 327,-0.1 -0.565 60.8 -79.8 -70.7 150.8 38.7 -0.2 68.1 103 103 A S G > S+ 0 0 2 325,-0.3 3,-0.9 1,-0.3 86,-0.1 -0.304 118.7 7.0 -55.1 131.6 38.4 -0.1 64.3 104 104 A G G 3 S- 0 0 0 70,-0.3 -1,-0.3 1,-0.2 395,-0.2 0.637 118.9 -85.9 66.8 19.6 36.9 3.2 63.2 105 105 A W G < S+ 0 0 6 -3,-2.2 394,-1.6 1,-0.2 2,-0.4 0.817 76.1 162.2 51.1 37.2 37.0 4.6 66.8 106 106 A F E < +H 498 0C 2 -3,-0.9 2,-0.3 392,-0.2 392,-0.2 -0.736 11.2 171.4 -82.5 132.7 33.6 3.0 67.7 107 107 A Y E -H 497 0C 0 390,-3.0 390,-1.6 -2,-0.4 2,-0.3 -0.890 29.6-144.7-135.2 167.1 33.0 2.7 71.4 108 108 A S E > -H 496 0C 12 -2,-0.3 4,-1.9 388,-0.2 388,-0.2 -0.876 36.6-111.4-119.2 161.2 30.4 1.8 74.0 109 109 A T H > S+ 0 0 15 386,-2.0 4,-2.4 -2,-0.3 5,-0.2 0.880 116.6 55.9 -60.5 -38.6 30.2 3.5 77.3 110 110 A K H > S+ 0 0 122 385,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.908 106.1 50.7 -59.9 -45.5 31.3 0.4 79.2 111 111 A A H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.934 113.7 44.7 -56.4 -48.8 34.5 0.2 77.1 112 112 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.854 107.4 57.0 -67.7 -36.7 35.4 3.8 77.8 113 113 A R H X S+ 0 0 66 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.817 104.0 56.0 -66.1 -26.6 34.6 3.7 81.5 114 114 A G H X S+ 0 0 10 -4,-1.3 4,-2.0 -3,-0.4 3,-0.3 0.972 108.8 45.0 -67.3 -55.7 37.1 0.9 81.8 115 115 A L H X S+ 0 0 2 -4,-1.5 4,-2.8 1,-0.2 5,-0.3 0.890 111.7 53.1 -49.7 -48.2 39.9 3.0 80.2 116 116 A C H X S+ 0 0 4 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.847 109.2 50.1 -61.3 -34.6 39.0 6.0 82.4 117 117 A D H X S+ 0 0 85 -4,-1.6 4,-1.4 -3,-0.3 -1,-0.2 0.888 113.0 43.7 -73.2 -41.1 39.2 3.8 85.5 118 118 A V H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.934 116.3 47.1 -67.7 -47.9 42.6 2.4 84.8 119 119 A W H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 6,-0.2 0.862 108.3 56.0 -65.9 -34.7 44.1 5.7 83.7 120 120 A E H < S+ 0 0 24 -4,-1.8 -80,-0.4 -5,-0.3 -1,-0.2 0.913 112.0 43.6 -60.3 -41.8 42.6 7.5 86.7 121 121 A K H < S+ 0 0 60 -4,-1.4 -82,-2.7 -83,-0.2 -81,-0.2 0.880 130.1 21.2 -69.8 -40.8 44.4 5.0 89.0 122 122 A W H < S+ 0 0 25 -4,-2.1 20,-0.4 -84,-0.2 -2,-0.2 0.606 117.2 43.0-110.7 -18.3 47.8 4.9 87.2 123 123 A G S < S- 0 0 0 -4,-2.7 -83,-0.4 -5,-0.3 18,-0.2 -0.411 89.4 -85.8-123.4-166.3 48.2 8.1 85.1 124 124 A S - 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0 0 103 -2,-0.3 2,-0.5 -26,-0.2 8,-0.2 -0.517 18.4-150.3 -74.1 147.4 40.3 -8.3 46.2 333 333 A V + 0 0 22 -28,-0.3 2,-0.4 -2,-0.2 -146,-0.3 -0.828 41.3 139.9-120.3 87.2 39.5 -7.6 49.9 334 334 A E > - 0 0 149 -2,-0.5 3,-3.4 -148,-0.1 4,-0.4 -0.995 54.2 -69.3-135.0 128.6 38.0 -10.8 51.2 335 335 A K T 3 S+ 0 0 114 -2,-0.4 -2,-0.0 1,-0.4 -144,-0.0 -0.251 122.5 26.9 -52.3 134.1 38.5 -12.5 54.5 336 336 A P T 3 S- 0 0 66 0, 0.0 -1,-0.4 0, 0.0 5,-0.1 -0.878 91.4-146.0 -93.1 26.9 41.1 -13.8 55.4 337 337 A Y <> + 0 0 12 -3,-3.4 4,-2.2 1,-0.1 3,-0.3 0.800 33.6 162.7 60.1 36.2 42.8 -11.3 52.9 338 338 A D H > S+ 0 0 94 -4,-0.4 4,-2.2 1,-0.2 5,-0.2 0.800 70.5 56.3 -54.4 -34.7 45.6 -13.7 51.9 339 339 A E H > S+ 0 0 73 -5,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 110.6 43.5 -67.4 -42.9 46.4 -11.6 48.8 340 340 A I H > S+ 0 0 0 -3,-0.3 4,-2.3 -8,-0.2 -2,-0.2 0.861 113.9 50.9 -68.7 -37.6 47.0 -8.5 50.9 341 341 A K H X S+ 0 0 23 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.861 106.9 53.6 -69.8 -37.6 49.0 -10.4 53.5 342 342 A E H X S+ 0 0 134 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.909 109.5 49.4 -61.9 -44.0 51.2 -12.0 50.9 343 343 A I H X S+ 0 0 5 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.956 112.5 46.9 -60.0 -51.9 52.0 -8.5 49.6 344 344 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.943 113.6 47.9 -52.1 -52.1 52.8 -7.2 53.0 345 345 A E H X S+ 0 0 89 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.894 110.7 50.0 -62.2 -42.6 55.0 -10.2 53.9 346 346 A A H X S+ 0 0 27 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.949 113.2 48.0 -59.7 -48.7 57.0 -10.0 50.7 347 347 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.914 111.8 48.6 -56.6 -51.2 57.6 -6.3 51.2 348 348 A W H X S+ 0 0 7 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.916 110.3 50.7 -59.9 -45.9 58.7 -6.7 54.9 349 349 A D H X S+ 0 0 116 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.952 116.0 42.6 -54.0 -52.9 61.1 -9.6 54.1 350 350 A W H X S+ 0 0 21 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.894 115.0 48.9 -59.9 -47.3 62.7 -7.5 51.3 351 351 A W H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.848 110.4 51.3 -63.1 -38.1 62.8 -4.2 53.3 352 352 A D H < S+ 0 0 87 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.771 115.8 42.5 -72.3 -26.3 64.3 -6.0 56.4 353 353 A E H < S+ 0 0 146 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.867 128.6 25.0 -85.7 -39.1 67.0 -7.4 54.1 354 354 A E H < S+ 0 0 68 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.657 94.3 107.1-103.9 -19.4 67.8 -4.4 52.0 355 355 A G < - 0 0 21 -4,-2.2 2,-0.2 -5,-0.3 3,-0.1 -0.273 59.1-134.8 -68.8 145.4 66.8 -1.4 54.1 356 356 A K > - 0 0 124 1,-0.1 3,-2.2 4,-0.1 -1,-0.1 -0.573 47.3 -69.4 -88.0 161.5 69.2 1.0 55.8 357 357 A F T 3 S+ 0 0 147 1,-0.3 -147,-0.1 -2,-0.2 -1,-0.1 -0.304 122.8 1.3 -49.4 119.5 68.8 2.2 59.3 358 358 A R T 3 S+ 0 0 61 -149,-2.6 2,-0.5 1,-0.2 -1,-0.3 0.742 92.6 144.2 67.9 28.1 65.8 4.5 59.4 359 359 A E < - 0 0 16 -3,-2.2 -1,-0.2 -150,-0.1 2,-0.1 -0.863 41.8-140.3 -95.8 124.0 64.9 4.1 55.7 360 360 A R > - 0 0 12 -2,-0.5 4,-2.5 1,-0.1 3,-0.3 -0.428 25.1-108.5 -78.5 158.0 61.2 4.1 54.9 361 361 A I H > S+ 0 0 0 -150,-0.3 4,-2.6 1,-0.2 5,-0.2 0.901 120.4 55.5 -51.4 -44.3 59.7 1.7 52.3 362 362 A G H > S+ 0 0 1 -50,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.896 109.3 46.1 -54.6 -44.9 59.1 4.7 50.0 363 363 A E H > S+ 0 0 4 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.886 110.1 53.7 -70.1 -38.0 62.8 5.6 50.2 364 364 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.932 109.1 48.3 -59.8 -47.1 63.8 2.0 49.6 365 365 A I H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.887 111.3 51.1 -61.7 -40.4 61.7 1.8 46.5 366 366 A W H < S+ 0 0 6 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.909 116.3 41.2 -61.2 -43.1 63.2 5.1 45.3 367 367 A R H < S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.864 125.0 34.1 -72.6 -39.8 66.7 3.8 45.9 368 368 A K H < S- 0 0 54 -4,-3.2 4,-0.4 -5,-0.2 -3,-0.2 0.709 110.9-121.5 -90.7 -22.2 66.2 0.2 44.5 369 369 A G X - 0 0 13 -4,-2.6 4,-1.7 -5,-0.3 5,-0.1 0.110 20.8 -86.0 94.7 152.2 63.7 1.1 41.8 370 370 A M H > S+ 0 0 10 1173,-0.2 4,-2.4 1,-0.2 5,-0.2 0.792 121.2 63.0 -59.2 -34.6 60.2 0.1 40.8 371 371 A R H > S+ 0 0 79 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.959 105.5 43.2 -58.1 -55.9 61.4 -3.0 38.9 372 372 A E H > S+ 0 0 49 -4,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.918 114.3 52.2 -54.5 -47.0 62.9 -4.6 42.0 373 373 A F H X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.873 108.1 50.4 -59.4 -41.6 59.8 -3.7 44.1 374 374 A L H <>S+ 0 0 0 -4,-2.4 5,-3.1 1,-0.2 4,-0.3 0.850 110.3 48.9 -68.9 -34.5 57.4 -5.3 41.6 375 375 A K H <5S+ 0 0 90 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.801 107.7 56.3 -76.0 -28.7 59.3 -8.5 41.4 376 376 A V H <5S+ 0 0 40 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.947 115.7 35.6 -62.9 -47.9 59.4 -8.6 45.2 377 377 A I T <5S- 0 0 13 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.472 113.7-123.8 -85.4 -1.2 55.5 -8.4 45.3 378 378 A G T 5 + 0 0 60 -4,-0.3 2,-0.3 1,-0.2 -3,-0.2 0.867 64.1 133.4 61.0 42.6 55.4 -10.5 42.2 379 379 A R < - 0 0 65 -5,-3.1 2,-0.2 -6,-0.1 -1,-0.2 -0.849 53.3-115.4-118.5 158.2 53.4 -8.1 40.1 380 380 A E - 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