==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-MAY-12 4F3X . COMPND 2 MOLECULE: PUTATIVE ALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR V.N.MALASHKEVICH,R.BHOSLE,R.TORO,B.HILLERICH,A.GIZZI,S.GARFO . 1903 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1390 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 220 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.1 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 . 133 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 168 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 603 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 1.4 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 4 0 10 6 0 0 5 7 6 0 8 8 2 4 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 8 15 16 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 0 3 1 0 0 4 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 0 0 0 0 0 4 0 0 4 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 0 A X 0 0 243 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.9 -22.5 -3.0 16.7 2 1 A X - 0 0 51 83,-0.0 2,-0.3 181,-0.0 178,-0.0 -0.903 360.0 -80.1-142.0 164.5 -21.7 -0.9 13.6 3 2 A D + 0 0 46 -2,-0.3 181,-0.2 177,-0.2 180,-0.2 -0.580 45.6 169.2 -70.0 129.3 -18.7 0.4 11.7 4 3 A T + 0 0 52 -2,-0.3 11,-0.4 179,-0.1 2,-0.3 0.383 35.1 104.4-125.0 -1.2 -17.2 3.4 13.5 5 4 A Q - 0 0 62 9,-0.1 9,-0.3 178,-0.1 182,-0.1 -0.704 61.7-127.9-102.2 142.0 -13.8 4.2 11.9 6 5 A L E -A 13 0A 1 7,-3.2 7,-2.3 -2,-0.3 2,-0.6 -0.387 24.2-126.1 -71.3 152.2 -12.8 6.9 9.4 7 6 A L E +AB 12 200A 8 193,-1.9 193,-2.0 5,-0.2 2,-0.5 -0.941 33.9 171.5-106.0 114.2 -11.0 5.8 6.2 8 7 A I E > -A 11 0A 7 3,-3.1 3,-1.8 -2,-0.6 191,-0.1 -0.914 58.5 -68.6-130.5 96.7 -7.8 7.7 5.9 9 8 A G T 3 S- 0 0 7 -2,-0.5 187,-0.6 1,-0.3 189,-0.1 -0.310 118.3 -5.6 53.3-122.7 -5.7 6.4 3.1 10 9 A S T 3 S+ 0 0 70 185,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.350 126.3 74.8 -81.4 7.7 -4.4 2.9 3.9 11 10 A R E < -A 8 0A 159 -3,-1.8 -3,-3.1 2,-0.0 2,-0.5 -0.950 64.3-145.3-130.6 142.5 -5.8 3.0 7.4 12 11 A F E +A 7 0A 54 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.880 34.0 173.2 -94.0 132.3 -9.0 2.9 9.4 13 12 A E E -A 6 0A 54 -7,-2.3 -7,-3.2 -2,-0.5 2,-0.2 -0.998 34.4-120.9-139.8 137.9 -9.0 5.2 12.4 14 13 A A - 0 0 56 -2,-0.4 -9,-0.1 -9,-0.3 22,-0.1 -0.562 45.4-103.4 -63.1 142.6 -11.4 6.3 15.0 15 14 A G - 0 0 9 20,-0.5 22,-0.3 -11,-0.4 20,-0.2 -0.299 26.8-151.8 -58.5 155.2 -11.8 10.1 14.9 16 15 A T + 0 0 89 20,-0.7 21,-0.2 19,-0.1 -1,-0.1 0.460 64.3 74.2-115.9 -4.0 -10.0 11.8 17.8 17 16 A E S S- 0 0 105 19,-2.5 21,-0.1 1,-0.2 186,-0.0 -0.061 96.4 -30.7 -94.8-160.4 -12.0 15.0 18.4 18 17 A A - 0 0 53 17,-0.2 18,-2.2 19,-0.1 2,-0.3 -0.164 66.0-116.0 -54.9 141.1 -15.4 15.6 20.0 19 18 A E E -H 35 0B 118 16,-0.3 2,-0.5 -3,-0.1 16,-0.3 -0.628 18.4-137.8 -81.8 134.9 -18.0 12.9 19.8 20 19 A E E -H 34 0B 45 14,-3.0 14,-1.9 -2,-0.3 2,-1.0 -0.813 15.5-131.8 -85.9 130.0 -21.3 13.4 17.9 21 20 A H E -H 33 0B 127 -2,-0.5 2,-0.6 12,-0.2 12,-0.2 -0.753 22.8-155.6 -79.6 104.3 -24.4 12.1 19.6 22 21 A I E -H 32 0B 0 10,-2.7 9,-4.0 -2,-1.0 10,-1.2 -0.753 16.2-158.6 -85.8 121.9 -26.1 10.2 16.8 23 22 A L E -H 30 0B 69 -2,-0.6 7,-0.2 7,-0.3 6,-0.1 -0.699 25.4-123.5-107.0 150.0 -29.8 10.0 17.5 24 23 A N >> - 0 0 30 5,-3.4 4,-3.2 -2,-0.3 3,-0.9 -0.845 25.3-156.1 -77.1 110.8 -32.7 7.8 16.5 25 24 A P T 34 S+ 0 0 0 0, 0.0 334,-3.2 0, 0.0 298,-0.2 0.556 88.9 59.5 -75.9 -6.3 -35.1 10.5 15.1 26 25 A R T 34 S+ 0 0 57 62,-0.3 334,-0.2 332,-0.2 331,-0.1 0.761 125.6 14.7 -81.7 -32.7 -38.1 8.3 15.8 27 26 A T T <4 S- 0 0 53 -3,-0.9 331,-0.6 2,-0.2 3,-0.1 0.588 90.4-126.1-118.8 -17.6 -37.4 8.0 19.5 28 27 A G < + 0 0 27 -4,-3.2 2,-0.1 1,-0.3 298,-0.0 0.338 66.9 138.1 76.0 -6.4 -34.9 10.7 20.4 29 28 A A - 0 0 53 -5,-0.3 -5,-3.4 1,-0.1 -1,-0.3 -0.365 61.5-102.4 -69.4 150.3 -32.8 7.9 21.9 30 29 A G E -H 23 0B 63 -7,-0.2 -7,-0.3 1,-0.2 3,-0.1 -0.508 30.5-174.9 -72.8 135.6 -29.0 7.8 21.3 31 30 A I E - 0 0 37 -9,-4.0 2,-0.3 1,-0.4 -8,-0.2 0.855 64.0 -34.1 -92.3 -52.8 -27.8 5.4 18.7 32 31 A I E -H 22 0B 42 -10,-1.2 -10,-2.7 -12,-0.1 2,-0.4 -0.970 50.3-119.6-165.4 152.6 -24.0 5.8 19.1 33 32 A D E -H 21 0B 76 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.872 33.1-172.2 -99.9 136.8 -21.4 8.4 20.0 34 33 A L E -H 20 0B 12 -14,-1.9 -14,-3.0 -2,-0.4 -29,-0.0 -0.966 18.1-126.3-142.6 117.9 -18.9 9.0 17.2 35 34 A A E -H 19 0B 18 -2,-0.4 -20,-0.5 -16,-0.3 -16,-0.3 -0.291 22.9-122.7 -68.8 142.4 -15.7 11.1 17.3 36 35 A E - 0 0 6 -18,-2.2 -19,-2.5 -21,-0.1 -20,-0.7 -0.350 31.6 -97.9 -70.8 158.1 -14.9 13.8 14.7 37 36 A A - 0 0 2 165,-2.2 -19,-0.1 -22,-0.3 -1,-0.1 -0.526 38.0-129.5 -68.9 143.8 -11.8 13.9 12.6 38 37 A S > - 0 0 14 -2,-0.2 4,-1.8 -21,-0.1 5,-0.1 -0.356 28.6-101.9 -79.1 174.7 -9.0 16.1 14.0 39 38 A H H > S+ 0 0 120 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.886 125.9 55.3 -63.0 -36.8 -7.3 18.7 11.7 40 39 A A H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.838 106.1 48.8 -67.6 -33.9 -4.4 16.2 11.4 41 40 A Q H > S+ 0 0 8 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.876 110.7 52.8 -73.2 -34.1 -6.7 13.4 10.2 42 41 A I H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 3,-0.3 0.977 111.2 44.7 -59.8 -56.3 -8.2 15.8 7.7 43 42 A D H X S+ 0 0 48 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.900 113.3 52.5 -55.5 -43.1 -4.7 16.8 6.3 44 43 A A H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.880 108.2 49.5 -59.0 -41.7 -3.8 13.1 6.3 45 44 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -3,-0.3 -2,-0.2 0.928 113.7 46.4 -64.7 -45.6 -6.9 12.1 4.2 46 45 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.895 112.0 50.0 -64.6 -40.7 -6.1 14.9 1.7 47 46 A D H X S+ 0 0 48 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.874 109.7 51.4 -69.2 -34.8 -2.4 13.9 1.5 48 47 A A H X S+ 0 0 7 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.917 109.4 51.2 -64.8 -38.0 -3.5 10.3 1.0 49 48 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.893 108.4 51.8 -64.9 -39.2 -5.7 11.5 -1.8 50 49 A E H X S+ 0 0 85 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.913 113.0 44.4 -58.3 -48.6 -2.8 13.5 -3.3 51 50 A R H >X S+ 0 0 168 -4,-2.3 3,-1.1 1,-0.2 4,-0.6 0.952 113.2 49.6 -63.3 -49.6 -0.6 10.4 -3.3 52 51 A A H 3X S+ 0 0 16 -4,-3.0 4,-2.6 1,-0.2 3,-0.3 0.776 99.2 70.2 -61.1 -26.7 -3.3 8.0 -4.7 53 52 A F H 3X S+ 0 0 31 -4,-1.5 4,-2.7 -5,-0.2 -1,-0.2 0.848 86.1 65.2 -59.6 -37.0 -4.1 10.6 -7.5 54 53 A V H << S+ 0 0 105 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.928 115.9 26.9 -56.4 -50.0 -0.8 9.9 -9.3 55 54 A G H >< S+ 0 0 51 -4,-0.6 3,-1.7 -3,-0.3 -2,-0.2 0.924 121.8 52.2 -77.6 -47.6 -1.7 6.3 -10.1 56 55 A W H >< S+ 0 0 15 -4,-2.6 3,-1.5 1,-0.3 -3,-0.2 0.853 102.7 58.7 -59.4 -40.0 -5.6 6.6 -10.2 57 56 A S T 3< S+ 0 0 14 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.1 0.639 105.9 52.9 -62.7 -12.3 -5.5 9.5 -12.6 58 57 A Q T < S+ 0 0 104 -3,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.305 83.0 110.1-109.9 8.8 -3.7 7.2 -15.0 59 58 A T < - 0 0 28 -3,-1.5 1021,-0.1 -4,-0.1 -3,-0.0 -0.436 69.9-112.9 -75.6 158.6 -6.1 4.3 -15.0 60 59 A T > - 0 0 6 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.392 25.3-108.1 -83.0 166.2 -8.2 3.5 -18.1 61 60 A P H > S+ 0 0 15 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.928 120.6 54.3 -59.1 -41.9 -11.9 3.9 -18.3 62 61 A A H > S+ 0 0 18 1019,-0.3 4,-2.9 2,-0.2 5,-0.2 0.928 107.1 51.2 -54.5 -45.8 -12.4 0.2 -18.3 63 62 A E H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.922 115.9 40.9 -59.2 -47.2 -10.3 -0.2 -15.1 64 63 A R H X S+ 0 0 25 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.802 110.4 57.4 -68.6 -35.4 -12.5 2.5 -13.4 65 64 A S H X S+ 0 0 7 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.932 107.9 48.4 -62.0 -47.1 -15.7 1.1 -14.9 66 65 A N H X S+ 0 0 53 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.865 107.7 54.7 -61.8 -38.8 -14.9 -2.2 -13.2 67 66 A A H X S+ 0 0 10 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.922 109.0 48.1 -56.6 -49.7 -14.1 -0.6 -9.9 68 67 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.888 109.7 53.1 -60.8 -39.1 -17.6 1.1 -10.0 69 68 A L H X S+ 0 0 20 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.881 109.2 49.1 -64.0 -38.8 -19.2 -2.3 -10.9 70 69 A K H X S+ 0 0 124 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.880 110.8 49.4 -69.9 -36.5 -17.6 -4.0 -7.9 71 70 A I H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.970 112.0 48.7 -64.4 -50.3 -18.7 -1.2 -5.6 72 71 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.937 113.3 48.4 -49.2 -48.7 -22.3 -1.6 -7.0 73 72 A D H X S+ 0 0 63 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.847 109.1 52.3 -62.9 -38.0 -22.1 -5.4 -6.5 74 73 A A H X S+ 0 0 22 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.914 110.6 46.6 -67.6 -44.4 -20.8 -5.0 -3.0 75 74 A I H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 7,-0.2 0.917 110.3 54.2 -60.2 -44.5 -23.7 -2.7 -1.9 76 75 A E H >< S+ 0 0 97 -4,-2.3 3,-1.4 -5,-0.3 4,-0.2 0.890 105.0 53.9 -56.7 -42.3 -26.2 -5.1 -3.6 77 76 A K H 3< S+ 0 0 178 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.757 119.1 34.9 -66.0 -25.8 -24.8 -8.0 -1.5 78 77 A E T S+ 0 0 22 -3,-1.4 4,-2.7 1,-0.2 5,-0.1 0.897 73.9 48.0 -55.9 -46.5 -28.6 -4.1 0.5 80 79 A D H > S+ 0 0 95 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.823 112.2 49.2 -65.5 -33.2 -30.7 -5.2 3.5 81 80 A E H > S+ 0 0 97 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.938 112.9 46.5 -73.1 -47.3 -28.0 -4.2 6.0 82 81 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 -7,-0.2 5,-0.2 0.920 113.4 50.8 -58.1 -45.1 -27.5 -0.8 4.4 83 82 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.927 110.9 47.2 -58.9 -49.2 -31.3 -0.3 4.3 84 83 A A H X S+ 0 0 53 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.874 113.3 48.8 -61.0 -40.4 -31.8 -1.2 8.0 85 84 A L H X S+ 0 0 21 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.902 113.0 45.9 -71.7 -42.6 -28.9 1.1 9.0 86 85 A E H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 6,-0.5 0.893 112.2 52.4 -61.3 -42.6 -30.2 4.1 6.9 87 86 A A H X S+ 0 0 13 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.883 112.4 46.2 -64.0 -35.9 -33.7 3.4 8.3 88 87 A L H < S+ 0 0 60 -4,-2.0 -62,-0.3 -5,-0.2 -2,-0.2 0.954 115.1 44.5 -68.6 -50.7 -32.3 3.5 11.8 89 88 A N H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.865 129.0 26.0 -61.0 -40.3 -30.2 6.6 11.3 90 89 A C H < S- 0 0 9 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.553 95.3-125.4-104.8 -11.3 -33.0 8.6 9.5 91 90 A G < + 0 0 1 -4,-1.6 -4,-0.2 -5,-0.3 -3,-0.1 0.694 54.2 157.9 68.8 16.3 -36.3 7.0 10.7 92 91 A K - 0 0 5 -6,-0.5 -1,-0.2 229,-0.2 -2,-0.1 -0.514 55.7 -95.6 -68.8 138.1 -37.2 6.4 7.1 93 92 A P >> - 0 0 9 0, 0.0 4,-1.6 0, 0.0 3,-1.1 -0.384 36.7-122.1 -60.5 133.7 -39.8 3.6 6.8 94 93 A I H 3> S+ 0 0 31 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.803 106.1 48.5 -48.7 -45.5 -37.9 0.4 6.1 95 94 A N H 3> S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.767 105.7 57.9 -74.6 -22.9 -39.6 -0.6 2.8 96 95 A A H <>>S+ 0 0 20 -3,-1.1 4,-2.2 2,-0.2 5,-1.4 0.953 111.8 42.8 -62.9 -47.5 -39.2 2.9 1.3 97 96 A V H <>S+ 0 0 0 -4,-1.6 5,-2.8 3,-0.2 -2,-0.2 0.912 119.3 43.8 -63.9 -45.4 -35.4 2.5 1.8 98 97 A K H <5S+ 0 0 74 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.884 124.7 30.6 -66.1 -43.5 -35.4 -1.1 0.6 99 98 A N H <5S+ 0 0 108 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.787 134.0 23.9 -92.9 -30.0 -37.6 -0.7 -2.5 100 99 A D T X5S+ 0 0 81 -4,-2.2 4,-1.2 -5,-0.4 -3,-0.2 0.866 126.3 33.6-100.3 -54.4 -36.9 2.9 -3.5 101 100 A E H > S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.880 113.6 48.9 -64.4 -39.4 -32.1 0.0 -5.9 104 103 A A H X S+ 0 0 33 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.864 112.8 48.7 -62.1 -38.3 -31.5 3.6 -7.0 105 104 A I H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 3,-0.3 0.963 113.6 45.0 -67.3 -53.1 -28.2 3.7 -5.1 106 105 A I H X S+ 0 0 13 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.869 114.0 49.2 -59.4 -45.6 -27.0 0.4 -6.7 107 106 A D H X S+ 0 0 29 -4,-2.1 4,-3.1 -5,-0.2 -1,-0.2 0.734 103.8 61.4 -61.6 -29.6 -28.1 1.4 -10.2 108 107 A C H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.3 -2,-0.2 0.942 105.4 46.7 -62.9 -45.6 -26.3 4.8 -9.8 109 108 A W H X S+ 0 0 1 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.868 115.1 46.5 -63.4 -42.3 -23.0 3.1 -9.4 110 109 A R H X S+ 0 0 42 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.916 108.5 56.3 -68.2 -41.8 -23.7 0.8 -12.4 111 110 A F H >X S+ 0 0 3 -4,-3.1 4,-2.1 1,-0.2 3,-1.2 0.959 109.2 45.3 -53.1 -50.4 -24.9 3.8 -14.4 112 111 A F H 3X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.3 -1,-0.2 0.830 101.6 65.2 -67.9 -30.1 -21.5 5.6 -13.9 113 112 A A H 3< S+ 0 0 2 -4,-1.6 4,-0.5 1,-0.2 -1,-0.3 0.824 110.8 40.7 -53.0 -33.2 -19.6 2.5 -14.7 114 113 A G H X< S+ 0 0 7 -4,-1.2 3,-0.8 -3,-1.2 -2,-0.2 0.888 110.6 54.0 -82.1 -45.8 -21.1 2.9 -18.1 115 114 A A H >< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.872 99.7 63.9 -59.0 -42.5 -20.8 6.7 -18.4 116 115 A V T 3< S+ 0 0 4 -4,-2.7 3,-0.5 1,-0.3 -1,-0.2 0.869 106.8 42.7 -44.3 -44.6 -17.1 6.5 -17.7 117 116 A R T < S+ 0 0 7 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.332 112.2 59.4 -85.6 10.5 -16.6 4.5 -20.9 118 117 A N < + 0 0 6 -3,-2.1 2,-0.2 -4,-0.2 -1,-0.2 -0.097 63.0 136.8-141.0 33.3 -18.9 6.7 -22.9 119 118 A L - 0 0 19 -3,-0.5 958,-2.2 958,-0.1 2,-0.3 -0.623 32.3-161.9 -86.4 147.0 -17.8 10.3 -23.0 120 119 A H E +I 1076 0C 23 956,-0.3 -2,-0.1 -2,-0.2 954,-0.0 -0.781 14.8 165.5-128.7 166.5 -17.9 12.3 -26.2 121 120 A A E -I 1075 0C 2 954,-2.8 954,-2.7 -2,-0.3 3,-0.1 -0.944 53.8 -51.7-169.2 167.8 -16.3 15.5 -27.5 122 121 A P E S-I 1074 0C 13 0, 0.0 13,-0.4 0, 0.0 952,-0.3 -0.320 75.4 -98.3 -53.7 140.7 -15.7 17.3 -30.9 123 122 A A - 0 0 4 950,-2.8 967,-0.2 1,-0.1 950,-0.1 -0.241 37.2-103.6 -65.4 153.5 -14.2 14.7 -33.2 124 123 A A B +j 1090 0D 9 965,-2.7 967,-0.6 -3,-0.1 2,-0.3 -0.377 65.3 107.0 -71.8 150.7 -10.4 14.6 -33.9 125 124 A G E S-T 133 0E 8 8,-2.0 8,-3.4 965,-0.1 2,-1.1 -0.955 72.7 -55.2 163.1-175.7 -9.1 16.0 -37.1 126 125 A E E + 0 0 33 -2,-0.3 6,-0.2 6,-0.2 4,-0.1 -0.730 45.0 162.6 -97.0 87.8 -7.3 18.8 -38.9 127 126 A Y E S+ 0 0 14 -2,-1.1 889,-0.4 4,-0.5 -1,-0.2 0.854 78.9 37.0 -73.2 -34.6 -9.0 22.0 -38.0 128 127 A L E > S-T 131 0E 42 3,-0.7 3,-2.0 -3,-0.2 -1,-0.1 -0.899 112.5 -89.7-106.8 148.6 -5.9 23.9 -39.1 129 128 A P T 3 S+ 0 0 86 0, 0.0 347,-0.1 0, 0.0 -2,-0.1 -0.344 112.3 6.3 -58.7 127.8 -4.0 22.6 -42.2 130 129 A G T 3 S+ 0 0 18 346,-0.2 345,-2.7 1,-0.1 346,-2.0 0.532 107.2 106.2 74.8 8.6 -1.3 20.1 -41.1 131 130 A H E < -TU 128 474E 24 -3,-2.0 -3,-0.7 343,-0.2 2,-0.6 -0.953 56.0-153.8-123.7 115.0 -2.4 20.1 -37.4 132 131 A T E - U 0 473E 1 341,-2.2 341,-3.0 -2,-0.5 2,-0.3 -0.748 16.8-168.1 -84.1 119.5 -4.3 17.2 -35.9 133 132 A S E +TU 125 472E 0 -8,-3.4 -8,-2.0 -2,-0.6 2,-0.3 -0.767 9.4 173.6 -98.0 156.9 -6.5 18.2 -32.9 134 133 A X E - U 0 471E 3 337,-1.6 337,-2.6 -2,-0.3 2,-0.4 -0.965 22.5-133.0-153.1 156.3 -8.2 16.0 -30.4 135 134 A I E - U 0 470E 3 -13,-0.4 943,-2.2 -2,-0.3 2,-0.3 -0.951 19.7-173.9-118.4 131.4 -10.1 16.5 -27.2 136 135 A R E -vU1078 469E 11 333,-2.3 333,-3.1 -2,-0.4 2,-0.5 -0.854 20.1-145.9-114.2 153.9 -9.6 14.6 -23.9 137 136 A R E + U 0 468E 34 941,-0.5 331,-0.2 -2,-0.3 -18,-0.1 -0.922 33.0 178.2-117.1 102.4 -11.6 14.7 -20.7 138 137 A D E - U 0 467E 21 329,-2.5 329,-3.6 -2,-0.5 29,-0.1 -0.542 35.2 -81.7-102.4 167.2 -9.0 14.2 -18.0 139 138 A P E - U 0 466E 25 0, 0.0 327,-0.2 0, 0.0 -1,-0.2 -0.235 28.6-147.2 -62.0 152.9 -9.3 14.1 -14.1 140 139 A I - 0 0 24 325,-0.8 2,-0.4 1,-0.2 786,-0.2 0.714 41.8-112.1 -92.8 -28.3 -9.4 17.4 -12.3 141 140 A G + 0 0 12 324,-0.2 28,-1.6 -88,-0.0 2,-0.5 -0.984 67.7 5.4 139.4-135.9 -7.6 16.4 -9.0 142 141 A I E -c 169 0A 16 75,-0.4 77,-1.9 -2,-0.4 78,-1.4 -0.865 61.0-155.5 -99.4 124.6 -8.7 16.1 -5.4 143 142 A V E -cd 170 220A 0 26,-2.9 28,-2.7 -2,-0.5 2,-0.6 -0.820 7.1-154.6-101.0 131.4 -12.4 16.5 -4.7 144 143 A G E -cd 171 221A 0 76,-3.0 78,-2.6 -2,-0.4 2,-0.5 -0.946 20.8-167.0-101.0 118.3 -13.7 17.5 -1.3 145 144 A S E -cd 172 222A 0 26,-2.9 28,-3.3 -2,-0.6 2,-0.4 -0.933 9.5-172.2-116.4 127.5 -17.3 16.1 -1.1 146 145 A I E -cd 173 223A 15 76,-3.1 78,-1.7 -2,-0.5 29,-0.1 -0.967 8.8-160.9-122.6 123.3 -19.8 17.2 1.6 147 146 A A - 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s 01861D 0 21,-0.8 23,-2.6 -2,-0.3 2,-0.3 -0.979 13.9-152.4-160.6 156.5 -3.6 -0.5 -41.1 1840 409 D S E -os16841862D 0 -157,-2.3 -155,-2.7 -2,-0.3 2,-0.4 -0.998 2.1-158.9-142.3 153.9 -0.5 0.4 -39.2 1841 410 D V E -os16851863D 0 21,-2.4 23,-2.5 -2,-0.3 2,-0.5 -0.999 8.2-160.7-130.4 129.0 2.5 2.7 -39.4 1842 411 D W E +o 1686 0D 9 -157,-2.9 -155,-2.6 -2,-0.4 2,-0.3 -0.955 37.5 114.1-117.5 116.6 5.8 2.2 -37.7 1843 412 D T - 0 0 0 -2,-0.5 -153,-0.2 -157,-0.2 -2,-0.1 -0.917 57.5-135.2-170.8 152.1 8.2 5.1 -37.2 1844 413 D K S S+ 0 0 107 -155,-0.7 -951,-2.2 -2,-0.3 2,-0.7 0.576 80.7 99.6 -90.9 -12.6 9.6 7.1 -34.2 1845 414 D D B > -K 892 0O 27 -953,-0.2 4,-2.4 1,-0.2 5,-0.2 -0.649 59.4-160.5 -79.1 111.9 8.9 10.4 -36.0 1846 415 D I H > S+ 0 0 0 -955,-2.1 4,-2.2 -2,-0.7 5,-0.3 0.849 91.4 58.1 -58.3 -33.6 5.6 12.0 -34.8 1847 416 D S H > S+ 0 0 10 -956,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.964 110.5 40.0 -64.3 -48.7 5.5 14.1 -38.0 1848 417 D K H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.876 115.6 51.2 -65.5 -39.9 5.5 11.1 -40.3 1849 418 D A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.911 112.4 45.6 -68.3 -40.3 3.2 9.0 -38.2 1850 419 D X H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.862 111.3 52.3 -71.8 -38.0 0.6 11.7 -37.9 1851 420 D R H X S+ 0 0 99 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.950 112.9 45.0 -59.3 -49.7 0.7 12.6 -41.6 1852 421 D A H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 3,-0.4 0.938 110.4 55.8 -56.1 -47.6 0.1 8.9 -42.4 1853 422 D A H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.863 108.2 46.6 -58.0 -38.5 -2.6 8.7 -39.8 1854 423 D S H < S+ 0 0 13 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.826 119.0 40.8 -75.3 -23.9 -4.6 11.6 -41.4 1855 424 D R H < S+ 0 0 81 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.724 82.9 108.1 -99.0 -20.4 -4.2 10.2 -45.0 1856 425 D L < - 0 0 3 -4,-2.3 2,-1.2 -5,-0.2 -28,-0.1 -0.338 61.2-142.9 -65.8 135.2 -4.8 6.5 -44.7 1857 426 D Q + 0 0 57 -30,-0.2 2,-0.3 -22,-0.1 21,-0.2 -0.538 62.5 110.5 -95.6 66.9 -8.1 5.3 -46.1 1858 427 D Y S S- 0 0 1 -2,-1.2 -21,-0.3 19,-0.1 -20,-0.2 -0.962 73.8-125.6-142.9 148.5 -8.7 2.6 -43.4 1859 428 D G S S+ 0 0 0 -23,-1.5 -435,-3.3 -22,-0.6 2,-0.4 0.807 100.0 31.2 -68.0 -30.6 -11.2 2.3 -40.6 1860 429 D C E -ms14241838D 5 -23,-1.6 -21,-0.8 -437,-0.2 2,-0.4 -0.991 61.6-175.9-130.7 136.3 -8.3 1.8 -38.2 1861 430 D T E -ms14251839D 0 -437,-2.6 -435,-2.4 -2,-0.4 2,-0.4 -0.965 9.2-164.5-129.1 118.2 -4.7 3.0 -38.1 1862 431 D W E -ms14261840D 0 -23,-2.6 -21,-2.4 -2,-0.4 2,-0.6 -0.798 9.4-148.3 -91.5 138.2 -2.3 1.9 -35.4 1863 432 D I E S-ms14271841D 0 -437,-3.1 -435,-2.7 -2,-0.4 -21,-0.2 -0.957 79.2 -13.0-108.0 121.3 0.9 3.8 -34.8 1864 433 D N S S+ 0 0 21 -23,-2.5 2,-0.3 -2,-0.6 -1,-0.1 0.734 131.2 56.9 61.2 26.1 3.8 1.6 -33.6 1865 434 D T - 0 0 8 -24,-0.2 2,-0.3 -439,-0.2 -1,-0.2 -0.917 66.2-153.3-156.7-178.6 1.6 -1.3 -32.8 1866 435 D H + 0 0 2 -2,-0.3 -26,-0.1 -3,-0.1 -153,-0.1 -0.971 65.7 21.0-153.1 153.6 -0.9 -3.5 -34.6 1867 436 D F S S+ 0 0 20 -2,-0.3 2,-0.5 -155,-0.2 -155,-0.1 0.374 73.5 143.3 82.1 -7.9 -4.0 -5.6 -33.9 1868 437 D X - 0 0 46 -442,-0.1 2,-0.3 -786,-0.0 -1,-0.2 -0.591 24.8-177.4 -81.2 120.3 -4.9 -3.9 -30.5 1869 438 D L - 0 0 63 -2,-0.5 2,-0.3 6,-0.0 6,-0.0 -0.861 13.7-172.9-114.9 150.1 -8.6 -3.6 -29.9 1870 439 D T > - 0 0 10 -2,-0.3 3,-2.3 3,-0.2 -788,-0.1 -0.991 32.7-123.0-136.9 140.4 -10.6 -2.0 -27.0 1871 440 D N T 3 S+ 0 0 9 -2,-0.3 17,-2.6 1,-0.3 -1,-0.0 0.691 107.7 59.8 -66.4 -18.1 -14.4 -2.3 -26.7 1872 441 D E T 3 S+ 0 0 5 15,-0.2 17,-0.4 16,-0.1 -1,-0.3 0.530 95.9 78.4 -76.6 -8.8 -15.0 1.5 -26.7 1873 442 D X S < S- 0 0 1 -3,-2.3 -3,-0.2 15,-0.2 2,-0.1 -0.893 83.6-113.7-116.5 138.8 -13.4 1.9 -30.1 1874 443 D P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 -450,-0.2 -0.347 21.5-167.0 -77.0 139.2 -14.9 1.2 -33.5 1875 444 D H B +G 1886 0Y 7 11,-2.1 11,-2.5 12,-0.3 2,-0.2 -0.986 34.6 116.3-120.3 121.2 -13.7 -1.6 -35.8 1876 445 D G - 0 0 0 -2,-0.5 6,-0.1 -39,-0.3 9,-0.1 -0.814 49.0-106.0 174.8 149.7 -15.0 -1.5 -39.4 1877 446 D G - 0 0 0 4,-0.5 2,-0.3 -201,-0.3 -40,-0.2 -0.092 10.6-153.7 -80.5 168.3 -14.1 -1.2 -43.1 1878 447 D I S > S+ 0 0 9 -21,-0.2 3,-1.6 -42,-0.1 -19,-0.1 -0.824 71.8 10.3-121.8 172.6 -14.4 1.4 -45.9 1879 448 D K G > S- 0 0 66 -2,-0.3 3,-2.3 1,-0.2 -44,-0.2 -0.244 138.2 -12.9 53.4-141.6 -14.5 0.4 -49.6 1880 449 D Q G 3 S+ 0 0 35 -46,-2.2 -1,-0.2 1,-0.3 -45,-0.2 0.507 127.0 75.2 -76.5 0.8 -14.9 -3.3 -50.2 1881 450 D S G < S- 0 0 0 -3,-1.6 -203,-3.4 -47,-0.3 -4,-0.5 0.676 102.7-137.1 -74.0 -21.6 -14.2 -4.0 -46.6 1882 451 D G E < -C 1677 0U 1 -3,-2.3 2,-0.3 -205,-0.2 -1,-0.3 -0.805 12.9 -77.8 115.1-144.8 -17.7 -2.7 -46.0 1883 452 D Y E S+C 1676 0U 27 -207,-1.7 -207,-1.5 -2,-0.3 -6,-0.1 -0.967 71.7 64.5-163.6 164.6 -19.5 -0.4 -43.5 1884 453 D G - 0 0 18 -2,-0.3 2,-0.4 -209,-0.2 -7,-0.1 -0.096 68.2-108.3 87.6 158.8 -20.9 -0.4 -40.0 1885 454 D K - 0 0 15 5,-0.2 2,-0.4 -9,-0.1 -9,-0.2 -0.946 11.1-145.8-125.9 143.5 -18.8 -0.8 -36.8 1886 455 D D B S+G 1875 0Y 1 -11,-2.5 -11,-2.1 -2,-0.4 4,-0.1 -0.892 75.4 10.5 -98.4 143.6 -18.3 -3.5 -34.2 1887 456 D X S > S+ 0 0 4 -2,-0.4 4,-0.7 -299,-0.2 -12,-0.3 0.156 95.6 70.0 68.3 166.6 -17.6 -2.3 -30.6 1888 457 D S H >> S- 0 0 0 -17,-2.6 3,-1.0 1,-0.2 4,-0.9 0.137 102.4 -73.7 77.2 159.4 -18.1 1.3 -29.6 1889 458 D V H 3> S+ 0 0 3 -17,-0.4 4,-2.3 1,-0.2 3,-0.4 0.818 125.4 75.0 -52.5 -29.5 -21.3 3.3 -29.3 1890 459 D Y H 3> S+ 0 0 14 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.820 88.7 54.4 -60.3 -38.5 -21.3 3.2 -33.1 1891 460 D A H < S+ 0 0 1 -4,-0.9 3,-0.6 -3,-0.4 -2,-0.2 0.927 108.9 53.6 -67.4 -35.2 -25.3 0.4 -31.2 1893 462 D E H >< S+ 0 0 34 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.923 103.2 58.1 -60.5 -41.3 -26.0 3.4 -33.4 1894 463 D D H 3< S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.804 108.3 46.4 -54.1 -32.7 -26.0 0.9 -36.4 1895 464 D Y T << S+ 0 0 0 -4,-1.3 -325,-0.6 -3,-0.6 2,-0.3 0.249 102.4 76.7 -99.6 11.6 -28.8 -1.0 -34.7 1896 465 D T E < S- I 01569M 4 -3,-1.6 2,-0.5 -4,-0.2 -326,-0.1 -0.895 72.4-129.3-120.2 152.8 -31.1 1.9 -33.8 1897 466 D A E - I 01568M 1 -329,-3.6 -329,-3.1 -2,-0.3 2,-0.5 -0.882 20.8-132.9 -96.3 129.5 -33.5 4.0 -35.9 1898 467 D V E - I 01567M 10 -2,-0.5 2,-0.4 -331,-0.2 -331,-0.2 -0.741 29.3-171.0 -81.9 123.6 -33.1 7.8 -35.5 1899 468 D R E - I 01566M 7 -333,-2.5 -333,-2.2 -2,-0.5 2,-0.5 -0.970 16.2-150.2-124.9 127.5 -36.6 9.3 -35.0 1900 469 D H E -gI13841565M 3 -517,-2.4 -515,-2.2 -2,-0.4 2,-0.5 -0.887 13.0-168.7 -94.9 122.3 -37.6 13.0 -35.0 1901 470 D I E -gI13851564M 1 -337,-2.8 -337,-2.0 -2,-0.5 2,-0.4 -0.965 5.0-174.8-109.9 128.4 -40.6 13.8 -32.8 1902 471 D X E -gI13861563M 0 -517,-2.0 -515,-2.7 -2,-0.5 2,-0.6 -0.980 7.1-164.5-128.4 123.3 -42.2 17.3 -33.2 1903 472 D I E -gI13871562M 0 -341,-2.9 -341,-2.4 -2,-0.4 2,-0.5 -0.919 11.9-146.1-111.3 120.9 -45.0 18.6 -31.0 1904 473 D N E + I 01561M 47 -517,-2.2 -343,-0.2 -2,-0.6 -1484,-0.1 -0.729 36.2 149.5 -83.9 126.3 -46.9 21.7 -32.2 1905 474 D H 0 0 11 -345,-3.3 -344,-0.2 -2,-0.5 -1,-0.1 0.426 360.0 360.0-134.9 -8.9 -47.9 23.8 -29.2 1906 475 D G 0 0 71 -346,-2.0 -346,-0.1 -347,-0.1 -1,-0.1 0.007 360.0 360.0 39.8 360.0 -47.9 27.3 -30.6