==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-OCT-08 3ETF . COMPND 2 MOLECULE: PUTATIVE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR J.S.BRUNZELLE,E.EVDOKIMOVA,M KUDRITSKA,Z WAWRZAK,W.F.ANDERSO . 1822 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1350 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 227 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 135 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 162 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 644 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 0.9 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 4 0 5 4 3 0 8 12 2 0 2 8 4 0 0 3 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 14 9 17 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 . 8 9 6 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 5 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 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 6 A A 0 0 69 0, 0.0 2,-0.1 0, 0.0 1122,-0.0 0.000 360.0 360.0 360.0 112.2 71.8 50.6 27.2 2 7 A T - 0 0 54 1,-0.0 2,-0.4 0, 0.0 1224,-0.0 -0.374 360.0 -93.1-107.6-172.8 73.3 53.8 28.6 3 8 A Q - 0 0 15 -2,-0.1 2,-1.9 2,-0.1 1227,-0.0 -0.878 24.1-124.9-106.1 139.9 73.6 57.4 27.2 4 9 A A S S+ 0 0 12 -2,-0.4 14,-1.8 14,-0.1 2,-0.3 -0.587 71.0 121.9 -79.3 81.8 76.7 58.8 25.2 5 10 A L E -A 17 0A 1 -2,-1.9 2,-0.5 153,-0.4 12,-0.2 -0.992 54.3-146.1-148.0 136.1 77.1 61.7 27.6 6 11 A S E +A 16 0A 0 10,-3.2 9,-3.1 -2,-0.3 10,-1.4 -0.912 22.8 172.7-104.6 130.1 79.9 62.9 29.8 7 12 A V E -A 14 0A 12 -2,-0.5 7,-0.2 66,-0.4 -2,-0.1 -0.997 37.1-118.4-135.6 132.9 78.9 64.5 33.1 8 13 A N >> - 0 0 26 5,-2.7 4,-2.9 -2,-0.4 3,-0.8 -0.657 20.8-155.7 -72.4 113.8 81.4 65.5 35.8 9 14 A P T 34 S+ 0 0 1 0, 0.0 331,-2.3 0, 0.0 -1,-0.2 0.695 90.1 59.2 -66.1 -17.8 80.4 63.3 38.8 10 15 A A T 34 S+ 0 0 18 62,-0.3 329,-0.2 329,-0.2 328,-0.1 0.808 123.8 19.1 -78.1 -31.5 82.0 65.9 41.2 11 16 A T T <4 S- 0 0 64 -3,-0.8 -1,-0.1 2,-0.2 328,-0.1 0.583 92.3-129.4-112.1 -17.1 79.7 68.7 40.0 12 17 A G < + 0 0 6 -4,-2.9 2,-0.3 1,-0.3 327,-0.1 0.463 63.4 137.7 75.5 4.7 76.8 66.9 38.3 13 18 A Q - 0 0 102 -5,-0.5 -5,-2.7 1,-0.1 -1,-0.3 -0.633 59.8-107.0 -93.8 139.5 77.4 69.2 35.3 14 19 A T E +A 7 0A 55 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.354 31.6 178.4 -61.3 134.7 77.3 68.2 31.6 15 20 A L E - 0 0 66 -9,-3.1 2,-0.3 1,-0.4 -8,-0.2 0.812 60.1 -33.9-101.2 -51.6 80.6 68.0 29.9 16 21 A A E -A 6 0A 51 -10,-1.4 -10,-3.2 2,-0.0 -1,-0.4 -0.975 42.9-139.5-169.2 155.4 79.7 66.8 26.4 17 22 A A E -A 5 0A 37 -2,-0.3 -12,-0.2 -12,-0.2 -13,-0.0 -0.973 17.5-164.8-122.0 140.6 77.3 64.7 24.3 18 23 A X - 0 0 56 -14,-1.8 -14,-0.1 -2,-0.4 3,-0.1 -0.983 19.7-125.1-129.1 124.6 78.5 62.6 21.4 19 24 A P - 0 0 110 0, 0.0 166,-0.1 0, 0.0 3,-0.1 -0.272 36.8-100.8 -61.4 150.0 76.2 61.0 18.8 20 25 A W - 0 0 78 1,-0.1 166,-0.2 164,-0.0 2,-0.1 -0.395 49.2 -88.3 -66.4 152.9 76.5 57.3 18.3 21 26 A A - 0 0 12 164,-2.8 166,-0.3 -3,-0.1 -1,-0.1 -0.376 44.9-138.5 -63.2 132.9 78.6 56.2 15.3 22 27 A N > - 0 0 84 -2,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.255 31.9 -88.8 -82.9 178.7 76.4 55.9 12.1 23 28 A A H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.867 127.1 50.0 -56.7 -43.7 76.7 53.1 9.5 24 29 A Q H > S+ 0 0 129 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.880 111.3 50.5 -61.8 -41.0 79.3 54.9 7.4 25 30 A E H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.872 110.2 47.6 -68.4 -39.5 81.4 55.5 10.5 26 31 A I H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.931 114.2 48.4 -66.9 -44.7 81.3 51.9 11.7 27 32 A E H X S+ 0 0 85 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.908 111.1 50.4 -61.4 -41.6 82.2 50.8 8.1 28 33 A H H X S+ 0 0 100 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.924 109.8 50.1 -63.8 -41.4 85.1 53.3 8.0 29 34 A A H X S+ 0 0 14 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.912 115.0 43.8 -61.7 -43.7 86.5 52.1 11.4 30 35 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.918 114.0 49.3 -68.2 -43.8 86.4 48.4 10.3 31 36 A S H X S+ 0 0 56 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.921 113.7 46.4 -62.0 -44.4 87.8 49.2 6.8 32 37 A L H X S+ 0 0 61 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.878 111.0 52.0 -67.4 -40.6 90.7 51.2 8.3 33 38 A A H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.920 111.6 47.3 -61.3 -43.8 91.4 48.6 11.0 34 39 A A H X S+ 0 0 29 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.922 114.3 45.3 -65.4 -42.0 91.7 45.9 8.3 35 40 A S H X S+ 0 0 47 -4,-2.3 4,-1.2 2,-0.2 5,-0.2 0.909 113.3 51.6 -71.8 -35.7 93.9 48.0 6.0 36 41 A G H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 3,-0.5 0.933 110.3 48.7 -60.2 -47.2 96.1 49.0 9.0 37 42 A F H X S+ 0 0 29 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.894 102.6 62.7 -59.7 -42.0 96.4 45.3 10.0 38 43 A K H < S+ 0 0 144 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.852 115.5 30.8 -57.1 -35.5 97.4 44.3 6.4 39 44 A K H >< S+ 0 0 148 -4,-1.2 3,-1.3 -3,-0.5 -1,-0.2 0.851 116.9 56.3 -87.8 -40.3 100.5 46.5 6.7 40 45 A W H >< S+ 0 0 7 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.856 98.1 61.3 -62.7 -37.8 101.2 46.1 10.4 41 46 A K T 3< S+ 0 0 67 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.710 101.2 56.3 -62.6 -18.3 101.3 42.3 10.3 42 47 A X T < S+ 0 0 117 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.396 87.0 101.2 -93.6 -3.3 104.3 42.7 7.9 43 48 A T S < S- 0 0 42 -3,-1.7 2,-0.2 -4,-0.2 -3,-0.0 -0.331 82.5-100.3 -78.5 164.4 106.5 44.8 10.2 44 49 A S >> - 0 0 71 1,-0.1 4,-1.8 -2,-0.1 3,-0.5 -0.600 27.4-123.1 -78.0 148.1 109.3 43.5 12.3 45 50 A V H 3> S+ 0 0 43 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.844 114.5 59.6 -59.9 -30.0 108.4 42.8 15.9 46 51 A A H 3> S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.864 102.7 50.9 -67.1 -33.8 111.3 45.2 16.8 47 52 A Q H <> S+ 0 0 100 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.892 110.2 49.4 -67.4 -41.5 109.6 48.0 14.8 48 53 A R H X S+ 0 0 20 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.894 108.7 53.2 -64.6 -36.9 106.4 47.4 16.7 49 54 A A H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.910 107.6 51.6 -63.8 -39.5 108.4 47.5 20.0 50 55 A Q H X S+ 0 0 78 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.911 106.0 54.2 -64.2 -41.7 109.8 50.9 18.9 51 56 A T H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.892 105.6 54.3 -56.8 -40.5 106.2 52.1 18.3 52 57 A L H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.930 107.7 49.0 -60.7 -43.0 105.4 51.0 21.9 53 58 A R H X S+ 0 0 96 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.898 110.6 51.3 -62.2 -40.5 108.3 53.2 23.2 54 59 A D H X S+ 0 0 49 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.884 108.6 50.8 -63.4 -40.9 107.0 56.1 21.1 55 60 A I H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.936 109.3 51.7 -60.2 -45.8 103.5 55.7 22.5 56 61 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.922 111.1 47.7 -56.5 -44.0 105.0 55.7 26.1 57 62 A Q H X S+ 0 0 134 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.915 111.7 48.9 -66.1 -42.0 106.9 59.0 25.2 58 63 A A H X S+ 0 0 4 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.892 111.0 51.0 -65.1 -40.1 103.7 60.6 23.7 59 64 A L H >< S+ 0 0 3 -4,-2.6 3,-0.9 1,-0.2 7,-0.2 0.940 110.4 48.0 -62.2 -46.6 101.7 59.7 26.8 60 65 A R H >< S+ 0 0 114 -4,-2.3 3,-0.9 1,-0.3 4,-0.2 0.831 107.1 57.5 -64.7 -31.0 104.3 61.1 29.2 61 66 A A H 3< S+ 0 0 69 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.719 118.7 31.6 -68.6 -25.4 104.4 64.3 27.0 62 67 A H T S+ 0 0 33 -3,-0.9 4,-2.4 1,-0.2 5,-0.2 0.836 72.7 43.2 -58.6 -46.5 100.5 63.2 31.1 64 69 A E H > S+ 0 0 84 -4,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.924 114.0 50.6 -70.1 -41.2 98.8 66.0 33.1 65 70 A E H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.904 113.0 48.5 -58.5 -43.8 96.2 66.7 30.4 66 71 A X H X S+ 0 0 0 -4,-2.5 4,-2.1 -7,-0.2 -2,-0.2 0.938 111.9 47.0 -62.1 -49.8 95.4 62.9 30.4 67 72 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.923 111.2 51.9 -59.2 -45.6 95.1 62.6 34.2 68 73 A Q H X S+ 0 0 53 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.870 108.6 51.6 -59.1 -38.6 92.9 65.7 34.3 69 74 A C H X S+ 0 0 1 -4,-1.8 4,-2.2 -5,-0.2 5,-0.2 0.899 109.3 49.9 -64.3 -44.5 90.6 64.2 31.7 70 75 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 6,-0.4 0.955 115.0 43.4 -57.1 -52.2 90.3 60.9 33.6 71 76 A T H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.917 113.4 51.8 -62.1 -44.3 89.4 62.8 36.8 72 77 A R H < S+ 0 0 98 -4,-2.8 -62,-0.3 -5,-0.2 -1,-0.2 0.895 116.2 38.1 -61.7 -41.6 87.0 65.2 35.1 73 78 A E H < S+ 0 0 9 -4,-2.2 -66,-0.4 -65,-0.2 -1,-0.2 0.796 134.4 15.9 -84.0 -31.3 84.9 62.5 33.3 74 79 A X H < S- 0 0 0 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.463 95.7-115.6-130.9 3.1 84.8 59.8 36.0 75 80 A G < + 0 0 0 -4,-2.3 -4,-0.2 -5,-0.4 -3,-0.1 0.421 50.9 157.9 86.7 1.8 85.8 61.3 39.4 76 81 A K - 0 0 2 -6,-0.4 -1,-0.2 227,-0.1 5,-0.1 -0.328 55.8 -96.8 -61.3 133.6 89.0 59.5 40.3 77 82 A P >> - 0 0 1 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.286 34.3-122.7 -49.2 137.4 91.2 61.4 42.8 78 83 A I H 3> S+ 0 0 1 217,-2.9 4,-2.6 1,-0.3 5,-0.2 0.837 110.1 60.4 -60.9 -32.6 93.8 63.3 40.7 79 84 A K H 3> S+ 0 0 129 216,-0.2 4,-1.6 221,-0.2 -1,-0.3 0.911 110.5 42.2 -59.1 -40.7 96.7 61.6 42.5 80 85 A Q H <> S+ 0 0 54 -3,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.803 110.1 55.5 -76.1 -32.9 95.4 58.2 41.3 81 86 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.902 109.4 48.8 -64.8 -40.7 94.6 59.5 37.8 82 87 A R H X S+ 0 0 85 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.917 110.1 50.2 -61.8 -42.1 98.3 60.6 37.6 83 88 A A H X S+ 0 0 55 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.858 106.1 57.1 -65.9 -32.8 99.5 57.2 38.8 84 89 A E H X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.901 108.4 46.6 -62.8 -41.7 97.2 55.5 36.2 85 90 A V H X S+ 0 0 4 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.942 111.8 51.0 -67.2 -45.4 99.1 57.5 33.5 86 91 A T H X S+ 0 0 96 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.919 113.1 45.1 -55.8 -46.6 102.5 56.6 35.0 87 92 A K H X S+ 0 0 77 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.877 112.0 51.6 -66.9 -40.1 101.6 52.9 35.1 88 93 A S H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.908 111.7 46.5 -65.6 -42.5 100.2 52.9 31.6 89 94 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-0.3 0.901 110.1 53.7 -66.6 -39.3 103.4 54.5 30.1 90 95 A A H X S+ 0 0 48 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.860 103.1 58.4 -62.7 -34.1 105.6 52.1 32.1 91 96 A L H X S+ 0 0 4 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.882 101.3 54.5 -63.2 -39.6 103.7 49.2 30.5 92 97 A C H X S+ 0 0 0 -4,-1.2 4,-1.8 -3,-0.3 -1,-0.2 0.942 112.6 43.7 -58.2 -47.5 104.6 50.4 27.0 93 98 A D H X S+ 0 0 55 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.861 110.8 54.6 -68.5 -36.3 108.3 50.4 27.9 94 99 A W H X S+ 0 0 40 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.947 111.9 42.8 -63.4 -50.2 108.1 47.0 29.7 95 100 A Y H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.838 110.0 57.5 -66.0 -32.0 106.5 45.2 26.7 96 101 A A H < S+ 0 0 2 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.911 115.6 37.9 -63.2 -37.5 109.0 47.0 24.3 97 102 A E H < S+ 0 0 137 -4,-1.8 4,-0.3 -5,-0.1 -2,-0.2 0.932 133.5 20.4 -76.1 -47.8 111.8 45.5 26.4 98 103 A H H X S+ 0 0 55 -4,-3.0 4,-0.7 -5,-0.1 -3,-0.2 0.663 107.5 73.7-102.2 -21.5 110.5 42.0 27.2 99 104 A G H >X S+ 0 0 0 -4,-1.9 3,-1.1 -5,-0.4 4,-0.5 0.887 84.1 62.7 -65.0 -46.7 107.7 41.3 24.7 100 105 A P H >4 S+ 0 0 28 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.888 101.1 53.2 -53.6 -40.9 109.7 40.6 21.5 101 106 A A H >4 S+ 0 0 67 1,-0.3 3,-1.6 -4,-0.3 -2,-0.2 0.813 100.2 62.8 -62.0 -29.6 111.5 37.5 23.0 102 107 A X H << S+ 0 0 34 -3,-1.1 -1,-0.3 -4,-0.7 -3,-0.1 0.617 100.5 55.0 -71.2 -11.7 108.0 36.1 23.9 103 108 A L T << S+ 0 0 18 -3,-1.7 16,-0.5 -4,-0.5 -1,-0.3 0.266 79.1 120.1-101.9 7.9 107.3 36.0 20.2 104 109 A N S < S- 0 0 99 -3,-1.6 13,-0.0 1,-0.1 -3,-0.0 -0.433 76.1 -97.5 -69.0 147.8 110.3 33.9 19.2 105 110 A P - 0 0 65 0, 0.0 13,-0.2 0, 0.0 -1,-0.1 -0.319 38.4-127.0 -62.1 153.2 109.4 30.7 17.5 106 111 A E E -B 117 0B 52 11,-2.6 11,-2.2 -3,-0.1 2,-0.1 -0.869 13.6-130.0-102.8 133.6 109.5 27.6 19.8 107 112 A P E -B 116 0B 113 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.369 25.1-153.1 -69.2 161.3 111.5 24.4 19.1 108 113 A T - 0 0 28 7,-0.8 5,-0.2 2,-0.2 7,-0.1 -0.807 29.0-106.6-128.4 173.8 109.6 21.1 19.3 109 114 A L S S+ 0 0 101 1682,-0.4 2,-0.1 -2,-0.3 3,-0.1 0.437 78.2 122.4 -82.6 0.7 110.6 17.5 20.0 110 115 A V S > S- 0 0 12 1681,-0.2 3,-0.7 5,-0.2 5,-0.3 -0.422 74.7 -98.6 -61.1 136.3 110.2 16.7 16.3 111 116 A E G > S+ 0 0 141 1,-0.2 3,-1.2 2,-0.2 -1,-0.1 -0.151 95.5 13.7 -65.0 150.1 113.5 15.3 15.1 112 117 A N G 3 S- 0 0 122 1,-0.2 -1,-0.2 2,-0.1 -3,-0.1 0.751 119.0 -75.8 62.1 31.0 116.2 17.3 13.3 113 118 A Q G < S+ 0 0 164 -3,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.804 90.7 140.3 55.7 34.2 114.7 20.7 13.9 114 119 A Q < + 0 0 48 -3,-1.2 340,-3.0 -4,-0.3 2,-0.4 0.701 57.6 46.4 -84.2 -17.6 112.0 20.0 11.3 115 120 A A E + C 0 453B 2 -5,-0.3 -7,-0.8 338,-0.2 2,-0.3 -0.986 58.5 171.1-132.7 136.4 109.1 21.6 13.2 116 121 A V E -BC 107 452B 46 336,-2.1 336,-2.9 -2,-0.4 2,-0.5 -0.904 30.0-125.7-131.3 159.4 108.6 24.9 15.1 117 122 A I E -BC 106 451B 2 -11,-2.2 -11,-2.6 -2,-0.3 2,-0.3 -0.955 27.9-163.8-105.3 125.2 105.7 26.8 16.6 118 123 A E E - 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0 0 67 -9,-3.1 2,-0.3 1,-0.4 -8,-0.2 0.788 61.9 -33.5-102.1 -47.0 67.6 20.8 -12.6 473 21 B A E -C 463 0H 49 -10,-1.4 -10,-2.9 2,-0.0 -1,-0.4 -0.970 43.3-139.8-170.6 157.7 69.3 24.1 -11.7 474 22 B A E -C 462 0H 35 -2,-0.3 -12,-0.2 -12,-0.2 -13,-0.0 -0.993 17.8-167.4-126.9 137.3 71.5 25.9 -9.2 475 23 B X - 0 0 55 -14,-2.2 3,-0.1 -2,-0.4 -14,-0.0 -0.983 20.5-125.7-129.0 123.9 70.8 29.4 -8.1 476 24 B P - 0 0 111 0, 0.0 166,-0.1 0, 0.0 3,-0.1 -0.295 35.6 -98.6 -64.6 151.3 73.4 31.5 -6.2 477 25 B W - 0 0 78 1,-0.1 166,-0.2 164,-0.0 -16,-0.0 -0.380 48.7 -91.7 -63.7 146.9 72.3 33.1 -2.9 478 26 B A - 0 0 13 164,-2.7 166,-0.3 -3,-0.1 2,-0.1 -0.302 43.7-137.5 -58.0 138.6 71.2 36.7 -3.1 479 27 B N > - 0 0 80 -3,-0.1 4,-2.4 164,-0.1 3,-0.5 -0.419 32.6 -86.9 -91.3 175.0 74.1 39.1 -2.4 480 28 B A H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.874 128.2 50.0 -46.4 -48.3 74.0 42.3 -0.2 481 29 B Q H > S+ 0 0 157 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.871 110.9 49.1 -61.5 -39.2 72.8 44.5 -3.1 482 30 B E H > S+ 0 0 95 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.894 111.2 48.7 -71.4 -40.0 70.0 42.0 -4.0 483 31 B I H X S+ 0 0 7 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.962 112.6 48.8 -62.3 -50.9 68.8 41.8 -0.4 484 32 B E H X S+ 0 0 89 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.887 111.7 50.2 -55.4 -42.0 68.8 45.7 -0.1 485 33 B H H X S+ 0 0 116 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.922 108.8 50.5 -63.1 -46.6 66.9 45.9 -3.4 486 34 B A H X S+ 0 0 13 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.918 114.7 44.7 -55.8 -46.7 64.3 43.4 -2.3 487 35 B L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.912 114.2 48.1 -65.1 -45.1 63.7 45.4 0.9 488 36 B S H X S+ 0 0 55 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.918 113.7 46.9 -63.3 -42.8 63.7 48.8 -0.8 489 37 B L H X S+ 0 0 57 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.895 111.4 50.9 -67.3 -41.7 61.2 47.6 -3.4 490 38 B A H X S+ 0 0 3 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.911 112.5 47.5 -61.9 -43.4 59.0 46.0 -0.8 491 39 B A H X S+ 0 0 29 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.918 113.9 44.7 -65.4 -45.9 58.9 49.2 1.2 492 40 B S H X S+ 0 0 52 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.902 113.8 52.6 -67.1 -36.6 58.2 51.5 -1.7 493 41 B G H X S+ 0 0 6 -4,-2.5 4,-2.7 -5,-0.2 3,-0.4 0.924 109.9 47.4 -60.6 -46.9 55.6 49.0 -2.9 494 42 B F H X S+ 0 0 28 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.922 103.1 62.9 -61.8 -45.0 53.9 49.1 0.5 495 43 B K H < S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 115.9 31.3 -49.5 -37.2 54.0 52.9 0.6 496 44 B K H >< S+ 0 0 162 -4,-1.2 3,-1.1 -3,-0.4 4,-0.3 0.854 116.9 55.8 -87.2 -39.8 51.7 53.0 -2.5 497 45 B W H >< S+ 0 0 6 -4,-2.7 3,-1.5 1,-0.3 -2,-0.2 0.853 99.2 60.4 -64.9 -36.9 49.7 49.8 -1.8 498 46 B K T 3< S+ 0 0 63 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 0.717 102.9 54.4 -62.6 -22.0 48.6 50.9 1.7 499 47 B X T < S+ 0 0 117 -3,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.483 88.2 100.2 -91.0 -7.4 46.8 53.9 0.0 500 48 B T S < S- 0 0 27 -3,-1.5 2,-0.2 -4,-0.3 -3,-0.0 -0.319 80.5-103.3 -75.0 161.3 44.8 51.8 -2.5 501 49 B S > - 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