==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-DEC-09 3L4P . COMPND 2 MOLECULE: ALDEHYDE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR D.R.BOER,M.J.ROMAO . 907 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 605 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 74 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 1 4 2 2 2 1 2 2 2 1 0 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 0 2 0 0 0 1 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 . 6 3 0 5 0 2 2 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 1 1 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 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 M 0 0 183 0, 0.0 2,-0.3 0, 0.0 17,-0.2 0.000 360.0 360.0 360.0 150.7 34.4 17.1 3.2 2 2 A I E -A 17 0A 78 15,-2.8 15,-2.4 2,-0.0 2,-0.5 -0.994 360.0-128.9-139.2 146.2 37.8 18.6 2.9 3 3 A Q E -A 16 0A 100 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.795 27.0-176.7 -87.3 131.4 41.0 18.2 0.8 4 4 A K E -A 15 0A 18 11,-2.8 11,-2.7 -2,-0.5 2,-0.7 -0.981 14.1-157.6-131.8 122.2 44.2 17.8 2.7 5 5 A V E +A 14 0A 49 -2,-0.4 65,-2.9 9,-0.2 2,-0.2 -0.879 35.2 146.3-100.6 112.3 47.5 17.5 1.1 6 6 A I E -A 13 0A 2 7,-2.2 7,-3.4 -2,-0.7 2,-0.5 -0.740 48.2-104.7-135.1 179.3 49.9 15.7 3.5 7 7 A T E -Ab 12 72A 30 64,-2.8 66,-2.8 5,-0.3 2,-0.5 -0.971 29.1-174.2-116.8 122.7 52.9 13.3 3.5 8 8 A V E > S-Ab 11 73A 3 3,-2.7 3,-1.9 -2,-0.5 66,-0.2 -0.969 75.2 -17.1-118.9 119.5 52.3 9.7 4.6 9 9 A N T 3 S- 0 0 38 64,-3.0 -1,-0.2 -2,-0.5 65,-0.1 0.881 129.7 -52.4 52.9 40.5 55.4 7.5 4.9 10 10 A G T 3 S+ 0 0 58 63,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.376 117.8 110.7 83.6 -3.1 57.4 10.0 2.8 11 11 A I E < S-A 8 0A 102 -3,-1.9 -3,-2.7 2,-0.0 -1,-0.2 -0.910 72.5-117.9-111.5 126.8 54.8 10.0 -0.0 12 12 A E E -A 7 0A 149 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.3 -0.387 32.9-162.5 -59.5 129.6 52.6 13.0 -0.8 13 13 A Q E -A 6 0A 53 -7,-3.4 -7,-2.2 -2,-0.1 2,-1.1 -0.977 17.6-151.0-121.6 127.1 49.0 12.1 -0.4 14 14 A N E -A 5 0A 90 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.798 33.2-165.8 -93.3 91.6 46.1 14.1 -1.8 15 15 A L E -A 4 0A 5 -11,-2.7 -11,-2.8 -2,-1.1 2,-0.5 -0.619 22.6-166.8 -93.8 139.3 43.5 13.2 0.8 16 16 A F E +A 3 0A 96 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.964 32.8 150.1-121.5 112.3 39.8 13.6 0.7 17 17 A V E -A 2 0A 1 -15,-2.4 -15,-2.8 -2,-0.5 2,-0.5 -0.903 52.5-104.9-140.6 161.2 38.2 13.2 4.1 18 18 A D > - 0 0 96 -2,-0.3 3,-1.6 -17,-0.2 46,-0.4 -0.781 33.4-134.7 -80.8 129.6 35.5 14.0 6.6 19 19 A A T 3 S+ 0 0 38 -2,-0.5 46,-2.1 1,-0.3 47,-0.2 0.778 107.5 51.6 -58.6 -25.7 37.0 16.4 9.1 20 20 A E T 3 S+ 0 0 92 44,-0.2 -1,-0.3 43,-0.2 -2,-0.0 0.537 86.3 113.1 -86.8 -11.1 35.3 14.3 11.8 21 21 A A S < S- 0 0 25 -3,-1.6 43,-2.3 42,-0.1 2,-0.3 -0.295 73.2-111.2 -63.3 148.3 36.7 11.0 10.5 22 22 A L B > -E 63 0B 52 41,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.603 15.2-131.7 -79.6 139.7 39.2 9.1 12.6 23 23 A L H > S+ 0 0 1 39,-3.2 4,-2.9 36,-0.6 5,-0.3 0.858 107.3 60.3 -59.4 -35.4 42.7 8.9 11.4 24 24 A S H > S+ 0 0 3 35,-1.8 4,-2.6 38,-0.3 5,-0.3 0.930 107.3 44.3 -58.3 -44.0 42.7 5.2 12.0 25 25 A D H >>S+ 0 0 55 -3,-0.3 4,-2.8 34,-0.3 5,-1.0 0.906 113.7 50.5 -67.8 -41.6 39.8 4.7 9.5 26 26 A V H X>S+ 0 0 0 -4,-2.2 5,-1.7 3,-0.2 4,-0.7 0.948 115.0 42.6 -60.7 -49.3 41.4 7.0 7.0 27 27 A L H <5S+ 0 0 0 -4,-2.9 6,-3.0 3,-0.2 4,-0.2 0.936 123.5 36.3 -64.6 -46.9 44.7 5.2 7.1 28 28 A R H <5S+ 0 0 16 -4,-2.6 4,-0.4 -5,-0.3 6,-0.2 0.942 130.2 26.1 -71.5 -50.2 43.3 1.7 7.1 29 29 A Q H <5S+ 0 0 118 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.916 129.1 34.5 -88.5 -47.0 40.3 2.1 4.8 30 30 A Q T < + 0 0 26 -6,-3.0 3,-2.0 1,-0.2 -1,-0.2 -0.498 9.4 163.2 -87.0 70.5 47.6 1.0 5.5 34 34 A T T 3 + 0 0 5 -2,-1.9 -1,-0.2 1,-0.3 4,-0.1 0.505 58.1 85.9 -72.8 -1.9 46.4 -2.0 7.5 35 35 A G T 3 S+ 0 0 1 -3,-0.1 2,-1.1 155,-0.1 -1,-0.3 0.634 70.1 86.3 -66.4 -17.5 49.7 -2.0 9.4 36 36 A V S < S- 0 0 4 -3,-2.0 2,-0.3 -12,-0.1 12,-0.2 -0.784 81.4-152.6 -80.4 101.5 47.9 0.5 11.6 37 37 A K - 0 0 1 -2,-1.1 2,-0.5 10,-1.0 -2,-0.1 -0.596 10.2-157.8 -85.1 141.9 46.3 -2.0 14.0 38 38 A V + 0 0 19 -2,-0.3 159,-0.1 -4,-0.1 -2,-0.0 -0.975 28.4 144.8-120.3 122.3 43.0 -1.2 15.8 39 39 A G S S+ 0 0 2 -2,-0.5 411,-0.2 330,-0.1 -1,-0.1 0.593 74.7 16.4-112.6 -83.8 42.0 -3.1 18.9 40 40 A C S S- 0 0 2 409,-0.1 410,-0.4 1,-0.1 411,-0.2 0.714 73.8-152.2 -70.9 -26.1 40.2 -1.1 21.6 41 41 A E S S+ 0 0 73 1,-0.1 -1,-0.1 408,-0.1 -3,-0.0 0.641 76.3 89.2 58.4 18.0 39.1 1.9 19.5 42 42 A Q S S- 0 0 69 19,-0.0 -1,-0.1 408,-0.0 19,-0.1 0.122 105.4-102.8-132.4 18.3 39.1 3.9 22.7 43 43 A G S S+ 0 0 11 1,-0.1 15,-0.1 91,-0.0 18,-0.0 0.637 94.1 105.6 72.4 17.7 42.7 5.2 23.0 44 44 A Q S S+ 0 0 34 1,-0.1 -1,-0.1 92,-0.0 788,-0.0 0.550 73.0 42.6-106.4 -10.1 43.7 2.7 25.6 45 45 A C S S- 0 0 4 90,-0.1 91,-2.7 91,-0.1 -1,-0.1 0.596 80.6-139.3-120.5 -16.5 45.9 0.1 23.9 46 46 A G > + 0 0 1 89,-0.2 3,-1.9 1,-0.1 64,-0.1 0.425 62.5 126.5 73.0 0.7 48.3 2.0 21.6 47 47 A A T 3 S+ 0 0 2 1,-0.3 -10,-1.0 87,-0.2 59,-0.2 0.796 73.6 51.9 -61.1 -28.2 48.0 -0.5 18.8 48 48 A C T 3 S+ 0 0 3 -12,-0.2 11,-1.8 58,-0.1 -1,-0.3 0.080 79.5 149.7 -97.7 19.9 47.1 2.3 16.4 49 49 A S E < +C 58 0A 4 -3,-1.9 2,-0.3 9,-0.2 9,-0.2 -0.313 15.4 167.8 -56.0 131.6 50.1 4.5 17.2 50 50 A V E -C 57 0A 0 7,-2.6 7,-2.8 25,-0.1 2,-0.6 -0.935 37.6-112.7-137.1 160.7 51.3 6.6 14.4 51 51 A I E -CD 56 74A 10 23,-2.5 23,-2.3 -2,-0.3 2,-0.5 -0.882 32.4-177.5 -96.9 123.8 53.7 9.5 14.3 52 52 A L E > S-CD 55 73A 16 3,-3.1 3,-1.9 -2,-0.6 21,-0.2 -0.970 72.1 -26.0-122.2 111.1 52.0 12.8 13.4 53 53 A D T 3 S- 0 0 87 19,-2.7 -1,-0.1 -2,-0.5 20,-0.1 0.906 128.2 -46.2 50.9 47.3 54.3 15.8 13.1 54 54 A G T 3 S+ 0 0 50 18,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.354 119.3 105.2 83.5 -6.1 56.9 14.3 15.4 55 55 A K E < S-C 52 0A 154 -3,-1.9 -3,-3.1 2,-0.0 2,-0.7 -0.871 70.2-126.5-110.3 141.4 54.4 13.2 18.1 56 56 A V E +C 51 0A 13 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.760 40.3 173.4 -85.7 116.5 53.2 9.6 18.8 57 57 A V E -C 50 0A 33 -7,-2.8 -7,-2.6 -2,-0.7 2,-0.8 -0.885 38.8-114.2-123.1 153.3 49.4 9.7 18.7 58 58 A R E > -C 49 0A 63 -2,-0.3 3,-1.7 -9,-0.2 -9,-0.2 -0.806 23.8-154.7 -84.4 113.5 46.7 7.1 18.8 59 59 A A G > S+ 0 0 0 -11,-1.8 -35,-1.8 -2,-0.8 3,-1.4 0.778 87.6 67.1 -62.3 -27.3 45.0 7.2 15.4 60 60 A C G 3 S+ 0 0 7 1,-0.3 -1,-0.3 -37,-0.2 -38,-0.1 0.645 110.1 35.3 -71.8 -13.5 41.7 5.8 16.7 61 61 A V G < S+ 0 0 84 -3,-1.7 2,-0.6 2,-0.1 -1,-0.3 0.024 97.6 95.8-125.1 25.6 41.2 9.0 18.8 62 62 A T < - 0 0 15 -3,-1.4 -39,-3.2 -5,-0.1 -38,-0.3 -0.959 62.5-152.1-118.2 111.8 42.7 11.5 16.3 63 63 A K B > -E 22 0B 79 -2,-0.6 3,-2.3 -41,-0.2 -41,-0.2 -0.504 25.5-115.8 -82.0 153.9 40.2 13.2 14.1 64 64 A M G > S+ 0 0 0 -43,-2.3 3,-2.2 -46,-0.4 -44,-0.2 0.764 111.6 72.0 -62.9 -24.8 41.2 14.5 10.6 65 65 A K G 3 S+ 0 0 78 -46,-2.1 -1,-0.3 1,-0.3 -45,-0.1 0.725 92.7 59.3 -60.0 -18.6 40.5 18.0 11.7 66 66 A R G < S+ 0 0 167 -3,-2.3 2,-0.7 -47,-0.2 -1,-0.3 0.456 89.4 83.4 -89.5 -2.0 43.7 17.6 13.8 67 67 A V S < S- 0 0 0 -3,-2.2 2,-0.1 -4,-0.2 3,-0.1 -0.906 72.0-154.0-105.3 112.4 45.8 16.9 10.8 68 68 A A > - 0 0 58 -2,-0.7 3,-2.1 1,-0.1 -2,-0.1 -0.445 30.7 -86.9 -83.6 155.9 46.9 20.1 9.0 69 69 A D T 3 S+ 0 0 108 1,-0.3 -63,-0.2 -2,-0.1 -1,-0.1 -0.384 120.5 27.7 -48.9 135.7 47.8 20.6 5.4 70 70 A G T 3 S+ 0 0 52 -65,-2.9 -1,-0.3 1,-0.2 -64,-0.2 0.432 89.0 152.2 86.7 -0.6 51.5 19.7 5.1 71 71 A A < - 0 0 2 -3,-2.1 -64,-2.8 -66,-0.2 2,-0.5 -0.207 39.8-134.9 -61.3 152.8 51.4 17.3 8.0 72 72 A Q E -b 7 0A 93 -66,-0.2 -19,-2.7 -64,-0.1 2,-0.4 -0.961 22.5-174.8-111.1 126.6 53.8 14.3 8.2 73 73 A I E -bD 8 52A 1 -66,-2.8 -64,-3.0 -2,-0.5 2,-0.4 -0.976 6.2-169.0-121.6 136.6 52.5 10.9 9.2 74 74 A T E + D 0 51A 28 -23,-2.3 -23,-2.5 -2,-0.4 2,-0.2 -0.993 8.2 175.3-124.9 126.0 54.5 7.7 9.7 75 75 A T >> - 0 0 0 -2,-0.4 3,-1.5 -25,-0.2 4,-1.0 -0.582 54.0 -86.3-111.7-179.9 52.9 4.3 10.1 76 76 A I H >> S+ 0 0 2 1,-0.3 4,-1.7 2,-0.2 3,-0.9 0.890 128.2 62.1 -57.5 -35.5 54.7 1.0 10.5 77 77 A E H 34 S+ 0 0 40 1,-0.3 -1,-0.3 2,-0.2 114,-0.0 0.766 104.9 48.2 -59.7 -27.6 54.8 0.8 6.6 78 78 A G H <4 S+ 0 0 30 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.633 103.2 61.1 -86.7 -17.7 56.9 3.9 6.7 79 79 A V H << S- 0 0 12 -4,-1.0 2,-0.3 -3,-0.9 -2,-0.2 0.915 123.8 -46.2 -73.5 -43.9 59.3 2.6 9.4 80 80 A G < - 0 0 1 -4,-1.7 -1,-0.3 5,-0.1 5,-0.2 -0.933 48.8-143.4 179.5 162.2 60.5 -0.3 7.3 81 81 A Q B > -F 84 0C 76 3,-1.3 3,-2.5 -2,-0.3 110,-0.1 -0.787 50.3 -62.0-129.1 170.5 59.3 -3.2 5.0 82 82 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 105,-0.0 -0.350 128.8 14.2 -56.1 136.3 60.5 -6.7 4.4 83 83 A E T 3 S+ 0 0 194 1,-0.1 -3,-0.0 -3,-0.0 0, 0.0 0.371 126.6 64.4 73.9 -3.4 64.1 -6.7 3.1 84 84 A N B < S+F 81 0C 103 -3,-2.5 -3,-1.3 2,-0.0 2,-0.2 -0.361 75.4 168.2-138.7 53.7 64.2 -3.0 4.2 85 85 A L - 0 0 33 -5,-0.2 -5,-0.1 1,-0.1 105,-0.0 -0.492 31.9-129.5 -77.3 138.7 63.9 -3.4 8.0 86 86 A H >> - 0 0 42 -2,-0.2 4,-2.7 1,-0.1 3,-0.5 -0.450 32.3-106.6 -71.7 152.5 64.5 -0.6 10.4 87 87 A P H 3> S+ 0 0 18 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.867 122.8 56.0 -51.6 -35.9 66.8 -1.4 13.3 88 88 A L H 3> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.890 109.0 46.1 -62.8 -39.9 63.7 -1.4 15.6 89 89 A Q H <> S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.925 113.3 48.3 -68.7 -43.1 62.1 -4.0 13.4 90 90 A K H X S+ 0 0 43 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.932 112.6 49.5 -60.8 -45.0 65.3 -6.1 13.2 91 91 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 6,-0.2 0.895 107.3 54.3 -62.0 -39.8 65.7 -5.9 17.0 92 92 A W H X>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 4,-0.6 0.933 111.2 46.1 -59.5 -45.1 62.0 -6.9 17.6 93 93 A V H ><5S+ 0 0 19 -4,-2.1 3,-0.9 1,-0.2 89,-0.3 0.939 113.6 48.1 -62.4 -47.2 62.6 -10.1 15.5 94 94 A L H 3<5S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.851 115.9 43.2 -64.2 -36.1 65.9 -10.9 17.2 95 95 A H H 3<5S- 0 0 48 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.412 109.7-118.8 -93.9 2.3 64.5 -10.4 20.7 96 96 A G T <<5 + 0 0 7 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.754 61.0 148.8 70.9 27.7 61.2 -12.3 20.0 97 97 A G < + 0 0 1 -5,-2.2 2,-0.9 -6,-0.2 4,-0.2 0.698 52.8 76.7 -69.9 -19.9 59.0 -9.3 20.7 98 98 A A + 0 0 1 -6,-0.5 84,-0.1 1,-0.1 -1,-0.1 -0.817 48.0 145.0 -94.6 103.1 56.4 -10.4 18.2 99 99 A Q S S- 0 0 5 -2,-0.9 -1,-0.1 707,-0.1 555,-0.1 0.705 93.4 -3.3 -93.0 -92.7 54.3 -13.2 19.7 100 100 A C S S- 0 0 7 1,-0.1 -2,-0.1 318,-0.1 319,-0.1 0.831 95.1-147.4 -65.1 -27.8 50.8 -12.7 18.4 101 101 A G > + 0 0 2 -4,-0.2 3,-0.8 553,-0.1 90,-0.1 0.383 61.7 120.7 81.6 -0.2 52.3 -9.5 16.8 102 102 A F T 3 S+ 0 0 5 1,-0.3 4,-0.3 315,-0.2 -65,-0.1 0.854 80.6 38.7 -67.8 -34.0 49.2 -7.5 17.0 103 103 A C T 3> S+ 0 0 9 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.493 93.7 92.5 -87.6 -6.1 50.8 -4.8 19.2 104 104 A S H <> S+ 0 0 0 -3,-0.8 4,-2.6 1,-0.2 5,-0.2 0.906 82.7 47.9 -65.1 -47.0 54.1 -4.8 17.3 105 105 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.935 114.8 48.2 -57.7 -43.5 53.5 -2.1 14.7 106 106 A G H > S+ 0 0 0 -4,-0.3 4,-2.4 -59,-0.2 -2,-0.2 0.901 113.4 45.9 -63.5 -44.0 52.2 0.2 17.5 107 107 A F H X S+ 0 0 1 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.912 114.4 48.8 -63.6 -42.2 55.1 -0.4 19.8 108 108 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.927 113.0 45.1 -68.3 -44.2 57.7 -0.0 17.0 109 109 A V H X S+ 0 0 1 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.944 115.6 49.2 -61.7 -45.5 56.2 3.2 15.7 110 110 A S H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.924 109.7 51.5 -57.9 -46.0 56.0 4.5 19.3 111 111 A A H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 -1,-0.2 0.849 106.3 53.9 -61.6 -35.9 59.6 3.4 19.9 112 112 A K H X S+ 0 0 44 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.933 107.0 52.0 -64.1 -42.4 60.7 5.3 16.8 113 113 A G H < S+ 0 0 2 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.885 111.5 48.1 -57.0 -39.9 59.0 8.4 18.3 114 114 A L H >X S+ 0 0 3 -4,-1.9 4,-2.8 1,-0.2 3,-1.7 0.970 112.2 46.3 -64.2 -53.7 60.9 7.8 21.5 115 115 A L H 3< S+ 0 0 16 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.788 106.7 59.6 -65.5 -25.6 64.3 7.4 19.9 116 116 A D T 3< S+ 0 0 104 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.659 118.6 30.6 -73.6 -15.6 63.7 10.4 17.7 117 117 A T T <4 S+ 0 0 91 -3,-1.7 2,-0.3 -4,-0.5 -2,-0.2 0.633 134.4 27.0-112.9 -24.4 63.4 12.5 20.9 118 118 A N < - 0 0 53 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.1 -0.831 65.3-175.0-142.6 95.0 65.7 10.6 23.2 119 119 A A S S+ 0 0 53 -2,-0.3 38,-0.1 1,-0.3 -4,-0.1 0.767 81.6 35.2 -68.6 -26.4 68.4 8.7 21.3 120 120 A D S S+ 0 0 104 37,-0.0 -1,-0.3 34,-0.0 30,-0.1 -0.566 80.7 177.2-129.5 66.4 69.9 7.0 24.3 121 121 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 32,-0.0 -0.327 26.9-126.3 -71.9 151.1 67.1 6.1 26.7 122 122 A S > - 0 0 52 1,-0.1 4,-1.9 -2,-0.0 5,-0.2 -0.455 35.3-103.0 -77.3 168.7 67.5 4.1 29.9 123 123 A R H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 127.2 52.8 -60.6 -36.5 65.3 1.1 30.3 124 124 A E H > S+ 0 0 78 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.880 104.6 54.7 -66.2 -36.5 63.2 3.2 32.7 125 125 A D H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 108.9 49.1 -60.3 -42.0 62.9 5.9 30.0 126 126 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.938 112.3 46.9 -64.0 -46.3 61.6 3.2 27.6 127 127 A R H X S+ 0 0 12 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.930 111.4 51.4 -61.2 -44.7 59.0 2.0 30.2 128 128 A D H X S+ 0 0 77 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.897 110.3 50.9 -57.4 -40.7 57.9 5.5 31.0 129 129 A W H X S+ 0 0 42 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.946 110.7 45.7 -65.2 -48.6 57.4 6.1 27.3 130 130 A F H <>S+ 0 0 1 -4,-2.4 5,-2.0 1,-0.2 -1,-0.2 0.814 113.1 51.9 -67.9 -28.6 55.3 3.1 26.6 131 131 A Q H ><5S+ 0 0 55 -4,-2.2 3,-1.2 -5,-0.2 -2,-0.2 0.957 111.3 46.4 -66.8 -49.9 53.3 3.9 29.8 132 132 A K H 3<5S+ 0 0 152 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.869 116.4 44.3 -58.2 -40.8 52.6 7.4 28.6 133 133 A H T 3<5S- 0 0 17 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.340 108.7-124.5 -94.3 7.2 51.7 6.3 25.1 134 134 A R T < 5 + 0 0 81 -3,-1.2 2,-0.9 1,-0.2 -3,-0.2 0.792 41.6 174.2 58.7 33.9 49.5 3.5 26.4 135 135 A N < - 0 0 2 -5,-2.0 2,-0.4 -6,-0.2 706,-0.3 -0.646 13.7-166.3 -75.6 109.3 51.3 0.8 24.4 136 136 A A + 0 0 1 -91,-2.7 2,-0.4 -2,-0.9 704,-0.1 -0.780 15.0 179.7-104.5 137.4 49.7 -2.4 25.7 137 137 A C - 0 0 8 -2,-0.4 4,-0.2 702,-0.3 -2,-0.0 -0.998 13.1-178.8-135.9 134.3 50.9 -6.0 25.2 138 138 A R S S+ 0 0 11 -2,-0.4 676,-0.1 2,-0.1 -1,-0.1 0.504 80.2 49.6-104.6 -10.4 49.2 -9.1 26.5 139 139 A C S S+ 0 0 7 -42,-0.1 671,-0.4 1,-0.1 672,-0.1 0.824 108.5 37.7 -95.9 -37.6 51.7 -11.7 25.2 140 140 A T S S- 0 0 1 670,-0.2 3,-0.3 669,-0.1 670,-0.2 0.560 85.5-125.0-106.3 -13.9 55.2 -10.7 26.1 141 141 A G - 0 0 1 1,-0.2 2,-1.4 669,-0.2 -3,-0.1 0.654 53.0 -97.7 69.5 15.2 55.3 -9.2 29.6 142 142 A Y S >> S+ 0 0 2 1,-0.2 4,-2.1 -45,-0.1 3,-0.8 -0.059 104.4 101.4 73.0 -34.5 57.0 -6.1 28.0 143 143 A K H 3> S+ 0 0 35 -2,-1.4 4,-2.7 1,-0.3 5,-0.2 0.882 81.1 49.9 -53.5 -44.6 60.6 -7.1 28.9 144 144 A P H 3> S+ 0 0 7 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.834 108.8 54.6 -65.1 -27.7 61.4 -8.4 25.4 145 145 A L H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.920 109.3 45.8 -69.4 -44.1 60.1 -5.1 23.9 146 146 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.930 110.4 54.6 -62.9 -45.1 62.3 -3.0 26.1 147 147 A D H X S+ 0 0 42 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.916 109.1 48.8 -51.2 -47.0 65.3 -5.3 25.3 148 148 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.922 109.4 50.8 -64.2 -43.1 64.6 -4.7 21.6 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.926 111.2 48.7 -60.5 -44.3 64.4 -0.9 22.0 150 150 A M H X S+ 0 0 54 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.906 112.5 47.5 -61.9 -42.7 67.7 -0.8 23.8 151 151 A D H X S+ 0 0 20 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.916 112.6 48.7 -67.7 -43.3 69.4 -2.9 21.2 152 152 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.919 110.0 52.6 -61.4 -42.8 68.1 -0.9 18.3 153 153 A A H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.890 105.3 54.5 -60.6 -39.6 69.1 2.3 20.1 154 154 A A H <>S+ 0 0 17 -4,-1.9 5,-2.8 1,-0.2 6,-0.8 0.866 111.4 45.5 -64.7 -35.7 72.7 1.0 20.5 155 155 A V H ><5S+ 0 0 14 -4,-1.6 3,-2.0 3,-0.2 -2,-0.2 0.940 111.7 49.5 -71.0 -47.8 72.9 0.4 16.7 156 156 A I H 3<5S+ 0 0 84 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.826 110.9 53.0 -61.3 -28.5 71.4 3.7 15.8 157 157 A N T 3<5S- 0 0 57 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.386 116.7-116.1 -87.7 0.3 73.9 5.3 18.1 158 158 A G T < 5S+ 0 0 64 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.645 79.9 123.2 76.7 17.8 76.8 3.5 16.4 159 159 A K S - 0 0 71 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.424 29.3-124.4 -70.9 145.5 77.1 -2.8 14.0 162 162 A E G > S+ 0 0 75 1,-0.3 3,-2.1 2,-0.2 4,-0.1 0.759 108.2 71.9 -57.7 -25.7 73.6 -3.3 12.6 163 163 A T G > S+ 0 0 72 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.735 82.8 71.4 -64.2 -20.2 74.6 -6.8 11.5 164 164 A D G < S+ 0 0 64 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.594 86.5 65.1 -70.8 -10.5 74.5 -7.7 15.2 165 165 A L G < S+ 0 0 6 -3,-2.1 2,-0.4 -4,-0.2 -1,-0.3 0.450 87.8 87.7 -87.5 -1.1 70.7 -7.4 15.0 166 166 A E S < S- 0 0 92 -3,-1.7 2,-0.0 -4,-0.1 -75,-0.0 -0.837 90.9-105.7-100.8 134.8 70.7 -10.4 12.6 167 167 A F - 0 0 57 -2,-0.4 2,-0.5 1,-0.1 -2,-0.1 -0.327 30.0-148.6 -61.6 133.8 70.6 -13.9 14.0 168 168 A K - 0 0 119 -4,-0.1 3,-0.1 -2,-0.0 -1,-0.1 -0.911 23.4-113.0-105.0 125.4 73.8 -15.8 13.9 169 169 A M - 0 0 100 -2,-0.5 6,-0.1 1,-0.1 5,-0.0 -0.398 44.6-106.5 -59.5 124.4 73.6 -19.6 13.5 170 170 A P > - 0 0 38 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.049 22.4-112.0 -56.5 154.3 74.9 -21.1 16.8 171 171 A A T 3 S+ 0 0 116 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 0.824 117.0 50.3 -57.8 -36.6 78.3 -22.8 17.0 172 172 A D T 3 S- 0 0 112 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.501 106.9-125.7 -83.8 -2.1 76.9 -26.2 17.5 173 173 A G < + 0 0 24 -3,-1.7 2,-0.6 1,-0.2 -2,-0.1 0.516 62.3 141.2 73.7 5.7 74.5 -25.8 14.5 174 174 A R - 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