==== 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 ISOMERASE 25-FEB-11 3QVK . COMPND 2 MOLECULE: PUTATIVE HYDANTOIN RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR J.B.FRENCH,D.B.NEAU,S.E.EALICK . 490 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 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 . 39 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 0 0 2 1 1 0 2 2 0 4 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 3 A S 0 0 125 0, 0.0 2,-0.5 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 151.1 21.5 49.5 -36.6 2 4 A V E -a 31 0A 33 28,-2.4 30,-3.2 2,-0.0 2,-0.5 -0.944 360.0-164.8-113.3 126.6 24.4 47.2 -35.6 3 5 A R E -a 32 0A 76 -2,-0.5 68,-2.4 28,-0.2 69,-1.1 -0.953 5.8-172.4-114.8 119.2 23.9 43.7 -34.3 4 6 A I E -ab 33 72A 0 28,-2.6 30,-2.8 -2,-0.5 2,-0.8 -0.948 15.3-146.5-115.8 120.9 26.8 42.0 -32.5 5 7 A Q E -ab 34 73A 0 67,-2.4 69,-2.4 -2,-0.5 2,-0.8 -0.770 12.5-162.3 -85.0 111.4 26.6 38.3 -31.5 6 8 A V E -ab 35 74A 1 28,-1.6 30,-2.6 -2,-0.8 2,-0.7 -0.865 10.1-159.0 -98.0 110.2 28.6 37.9 -28.3 7 9 A I E -ab 36 75A 0 67,-3.2 69,-3.4 -2,-0.8 30,-0.2 -0.816 13.1-156.3 -99.0 114.8 29.3 34.1 -27.9 8 10 A N - 0 0 1 28,-3.2 69,-0.1 -2,-0.7 8,-0.1 -0.826 13.1-153.1 -79.0 114.6 30.2 32.7 -24.5 9 11 A P S S+ 0 0 1 0, 0.0 33,-0.4 0, 0.0 2,-0.2 0.687 74.2 69.5 -69.2 -20.2 32.1 29.5 -25.6 10 12 A N S S- 0 0 4 66,-0.1 -2,-0.1 33,-0.1 34,-0.1 -0.568 87.9-121.9 -92.7 165.1 31.1 27.7 -22.3 11 13 A T + 0 0 22 31,-2.7 2,-0.7 -2,-0.2 33,-0.1 0.296 69.2 122.9 -92.4 8.7 27.6 26.5 -21.5 12 14 A S > - 0 0 0 31,-0.6 4,-1.9 30,-0.3 -2,-0.1 -0.625 43.1-167.3 -74.4 112.5 27.3 28.5 -18.2 13 15 A L H > S+ 0 0 36 478,-0.8 4,-1.9 -2,-0.7 -1,-0.2 0.816 88.5 59.5 -68.6 -30.9 24.2 30.7 -18.5 14 16 A A H > S+ 0 0 2 477,-0.4 4,-1.5 475,-0.2 -1,-0.2 0.903 108.8 42.6 -60.9 -44.7 25.4 32.6 -15.4 15 17 A M H > S+ 0 0 3 475,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.849 110.3 57.7 -70.6 -35.3 28.6 33.6 -17.2 16 18 A T H X S+ 0 0 8 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.857 106.7 49.1 -60.3 -37.9 26.6 34.3 -20.4 17 19 A E H X S+ 0 0 91 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.873 111.7 47.7 -70.1 -39.9 24.6 36.8 -18.4 18 20 A T H X S+ 0 0 29 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.907 115.1 45.9 -65.9 -44.3 27.7 38.5 -16.9 19 21 A I H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.909 112.6 50.9 -63.7 -44.8 29.3 38.7 -20.3 20 22 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.865 109.4 50.3 -61.5 -40.0 26.0 40.0 -21.9 21 23 A A H X S+ 0 0 47 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.864 109.8 50.4 -66.7 -38.9 25.7 42.7 -19.3 22 24 A A H X S+ 0 0 10 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.847 110.0 51.0 -67.7 -36.0 29.3 43.9 -19.8 23 25 A A H X S+ 0 0 0 -4,-1.8 4,-0.7 1,-0.2 3,-0.5 0.873 111.2 46.6 -68.5 -40.9 28.8 44.0 -23.6 24 26 A R H < S+ 0 0 133 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.782 102.4 65.8 -72.2 -29.0 25.6 46.2 -23.3 25 27 A A H < S+ 0 0 81 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.741 114.3 28.6 -66.6 -26.3 27.2 48.6 -20.8 26 28 A V H < S+ 0 0 43 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.444 90.3 126.4-112.8 -6.1 29.7 49.9 -23.4 27 29 A A < - 0 0 27 -4,-0.7 3,-0.1 -3,-0.1 182,-0.0 -0.299 60.2-120.7 -60.0 133.9 27.7 49.3 -26.6 28 30 A A > - 0 0 34 1,-0.2 3,-2.0 2,-0.1 -1,-0.1 -0.248 43.0 -75.3 -68.9 159.3 27.3 52.4 -28.8 29 31 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.377 123.0 26.5 -55.8 131.9 23.9 53.9 -29.6 30 32 A G T 3 S+ 0 0 52 1,-0.3 -28,-2.4 -3,-0.1 2,-0.5 0.366 93.0 124.1 93.7 -3.1 22.2 51.7 -32.2 31 33 A T E < -a 2 0A 25 -3,-2.0 2,-0.5 -30,-0.2 -1,-0.3 -0.811 43.1-162.9 -95.7 125.9 24.0 48.6 -31.2 32 34 A E E -a 3 0A 108 -30,-3.2 -28,-2.6 -2,-0.5 2,-0.5 -0.922 10.5-145.4-105.4 130.7 22.1 45.5 -30.2 33 35 A I E -a 4 0A 20 -2,-0.5 2,-0.7 -30,-0.2 -28,-0.2 -0.841 7.3-163.8 -97.9 127.0 23.9 42.7 -28.3 34 36 A L E -a 5 0A 29 -30,-2.8 -28,-1.6 -2,-0.5 2,-0.6 -0.838 13.0-165.3-107.5 90.0 22.9 39.1 -28.9 35 37 A A E +a 6 0A 38 -2,-0.7 2,-0.3 -30,-0.2 -28,-0.2 -0.681 21.8 159.8 -81.5 117.2 24.4 37.3 -25.9 36 38 A V E -a 7 0A 36 -30,-2.6 -28,-3.2 -2,-0.6 25,-0.0 -0.848 26.9-163.5-134.4 166.5 24.5 33.5 -26.6 37 39 A C - 0 0 18 -2,-0.3 -26,-0.1 -30,-0.2 -27,-0.0 -0.959 39.7 -83.5-144.7 160.4 26.1 30.2 -25.5 38 40 A P - 0 0 1 0, 0.0 3,-0.1 0, 0.0 19,-0.1 -0.268 24.0-135.8 -67.1 152.6 26.4 26.8 -27.1 39 41 A R S S+ 0 0 86 1,-0.2 2,-0.4 18,-0.1 18,-0.0 0.803 94.1 29.6 -72.6 -32.4 23.5 24.2 -26.8 40 42 A A S S+ 0 0 66 13,-0.1 2,-0.3 14,-0.1 -1,-0.2 -0.982 92.1 64.6-130.3 141.6 26.1 21.5 -26.1 41 43 A G S S- 0 0 45 -2,-0.4 -31,-0.1 -3,-0.1 13,-0.1 -0.975 76.7 -23.7 157.7-137.3 29.6 21.7 -24.5 42 44 A V - 0 0 21 -33,-0.4 -31,-2.7 -2,-0.3 -30,-0.3 -0.912 36.7-138.1-122.4 137.8 31.4 22.4 -21.3 43 45 A P S S+ 0 0 37 0, 0.0 -31,-0.6 0, 0.0 2,-0.3 0.795 90.5 9.1 -65.4 -31.3 30.3 24.6 -18.3 44 46 A S S S- 0 0 14 -33,-0.1 2,-0.7 -34,-0.1 10,-0.0 -0.989 72.0-125.6-148.3 152.8 33.8 26.2 -17.9 45 47 A I + 0 0 19 -2,-0.3 3,-0.1 -3,-0.1 -35,-0.1 -0.880 40.1 151.1-106.5 110.3 37.0 26.2 -20.0 46 48 A E - 0 0 44 -2,-0.7 2,-0.3 1,-0.1 3,-0.1 -0.376 61.5 -8.6-136.7 52.4 40.0 25.1 -17.9 47 49 A G S > S- 0 0 2 1,-0.1 4,-1.6 74,-0.1 -1,-0.1 -0.852 89.1 -62.2 143.8-178.4 42.5 23.6 -20.3 48 50 A H H > S+ 0 0 111 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.830 124.6 53.6 -72.1 -36.8 43.1 22.3 -23.9 49 51 A F H > S+ 0 0 157 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.918 110.3 48.0 -62.6 -46.4 40.4 19.6 -23.8 50 52 A D H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.862 109.9 53.8 -61.7 -38.5 37.8 22.1 -22.8 51 53 A E H X S+ 0 0 37 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.862 104.1 53.7 -65.4 -39.9 38.9 24.6 -25.5 52 54 A A H X S+ 0 0 65 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.859 112.7 44.4 -64.4 -37.6 38.6 22.0 -28.3 53 55 A I H X S+ 0 0 60 -4,-1.4 4,-1.5 2,-0.2 3,-0.5 0.916 113.0 51.5 -69.0 -45.7 35.0 21.3 -27.2 54 56 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.848 101.3 62.3 -60.2 -38.3 34.3 25.1 -26.9 55 57 A A H X S+ 0 0 20 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.864 105.1 45.8 -57.0 -41.7 35.7 25.8 -30.4 56 58 A V H X S+ 0 0 56 -4,-0.9 4,-1.9 -3,-0.5 -1,-0.2 0.862 110.8 53.6 -71.3 -37.2 32.9 23.6 -32.0 57 59 A G H X S+ 0 0 3 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.865 107.1 52.3 -62.0 -39.2 30.3 25.3 -29.8 58 60 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.935 108.4 50.5 -58.8 -48.4 31.5 28.7 -31.0 59 61 A L H X S+ 0 0 29 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.836 105.7 56.5 -61.5 -36.9 31.1 27.5 -34.6 60 62 A E H X S+ 0 0 41 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.902 112.9 40.8 -58.0 -44.9 27.6 26.3 -33.9 61 63 A Q H X S+ 0 0 26 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.820 110.1 57.9 -76.1 -33.3 26.7 29.9 -32.7 62 64 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.924 106.7 49.9 -58.2 -47.1 28.7 31.5 -35.5 63 65 A R H X S+ 0 0 54 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.914 111.3 48.3 -56.2 -47.5 26.5 29.6 -38.0 64 66 A A H X S+ 0 0 9 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.890 112.1 49.8 -60.9 -42.5 23.3 30.8 -36.1 65 67 A G H X>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 4,-0.8 0.890 110.5 48.6 -63.5 -43.3 24.7 34.4 -36.2 66 68 A R H <5S+ 0 0 54 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.857 109.4 52.9 -66.5 -37.7 25.4 34.3 -39.9 67 69 A E H <5S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.851 110.6 48.0 -62.8 -36.8 21.9 32.9 -40.6 68 70 A Q H <5S- 0 0 96 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.639 114.9-122.8 -77.8 -17.1 20.5 35.8 -38.6 69 71 A G T <5 + 0 0 44 -4,-0.8 -3,-0.2 -3,-0.2 -66,-0.1 0.876 42.5 179.3 76.0 41.0 22.7 38.2 -40.6 70 72 A V < - 0 0 13 -5,-2.2 22,-0.3 1,-0.1 -66,-0.2 -0.311 33.0-129.1 -70.4 157.9 24.6 39.8 -37.7 71 73 A D S S- 0 0 59 -68,-2.4 2,-0.3 1,-0.2 -67,-0.2 0.726 78.3 -14.2 -82.7 -24.0 27.2 42.4 -38.3 72 74 A G E -b 4 0A 0 -69,-1.1 -67,-2.4 20,-0.2 2,-0.3 -0.984 58.8-125.3-169.5 173.0 30.0 40.8 -36.2 73 75 A H E -bc 5 94A 2 20,-2.9 22,-2.4 -2,-0.3 2,-0.4 -0.954 6.6-157.7-134.8 148.5 30.9 38.2 -33.6 74 76 A V E -bc 6 95A 0 -69,-2.4 -67,-3.2 -2,-0.3 2,-0.8 -0.996 11.3-148.8-125.6 130.5 32.7 38.1 -30.2 75 77 A I E -bc 7 96A 0 20,-2.4 22,-1.9 -2,-0.4 2,-0.7 -0.878 17.9-160.0 -98.0 107.7 34.3 35.0 -28.7 76 78 A A + 0 0 1 -69,-3.4 2,-0.3 -2,-0.8 -66,-0.1 -0.229 54.8 84.7 -98.0 43.7 33.9 35.6 -25.0 77 79 A S S > S- 0 0 11 -2,-0.7 3,-2.6 -69,-0.1 21,-0.5 -0.992 79.9-118.7-137.0 146.5 36.5 33.4 -23.3 78 80 A F T 3 S+ 0 0 19 -2,-0.3 104,-0.1 1,-0.3 -2,-0.0 0.497 109.9 61.3 -66.2 -5.5 40.1 34.2 -22.6 79 81 A G T 3 S- 0 0 11 19,-0.1 -1,-0.3 2,-0.0 3,-0.2 0.463 95.9-138.9 -92.0 -2.7 41.5 31.4 -24.7 80 82 A D X - 0 0 6 -3,-2.6 3,-1.4 -5,-0.2 -2,-0.1 0.871 27.8-155.8 42.8 50.0 39.8 32.7 -27.9 81 83 A P T 3 + 0 0 6 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 -0.265 66.0 1.5 -63.5 133.9 38.8 29.2 -28.8 82 84 A G T 3> S+ 0 0 20 -3,-0.2 4,-2.6 3,-0.1 5,-0.2 0.739 82.7 148.3 66.5 27.9 38.1 28.5 -32.5 83 85 A L H <> S+ 0 0 12 -3,-1.4 4,-1.8 2,-0.2 5,-0.1 0.934 73.2 37.2 -59.2 -53.4 38.9 32.1 -33.5 84 86 A L H > S+ 0 0 106 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.825 116.1 54.4 -72.1 -32.6 40.4 31.4 -37.0 85 87 A A H > S+ 0 0 38 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.893 109.2 49.0 -62.3 -42.2 37.8 28.7 -37.6 86 88 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.859 106.6 55.6 -66.0 -38.3 35.0 31.2 -36.8 87 89 A R H < S+ 0 0 43 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.824 106.9 51.0 -65.7 -33.0 36.6 33.8 -39.1 88 90 A E H < S+ 0 0 69 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.918 116.3 39.9 -66.3 -45.7 36.4 31.3 -42.0 89 91 A L H < S+ 0 0 8 -4,-1.7 -2,-0.2 140,-0.2 -3,-0.1 0.874 107.7 71.2 -74.2 -39.7 32.7 30.5 -41.4 90 92 A A < - 0 0 0 -4,-2.9 4,-0.1 1,-0.1 -27,-0.1 -0.422 59.0-158.2 -83.2 153.0 31.5 34.1 -40.6 91 93 A Q S S+ 0 0 129 -21,-0.1 130,-0.6 -2,-0.1 -1,-0.1 0.844 80.2 61.9 -90.8 -47.1 31.1 37.0 -43.0 92 94 A G S S- 0 0 10 -22,-0.3 -20,-0.2 128,-0.2 128,-0.1 -0.292 105.9 -76.4 -72.6 164.2 31.3 39.7 -40.4 93 95 A P - 0 0 8 0, 0.0 -20,-2.9 0, 0.0 2,-0.5 -0.289 39.2-150.8 -64.9 146.0 34.4 40.2 -38.2 94 96 A V E -c 73 0A 0 -22,-0.2 2,-0.4 -4,-0.1 -20,-0.2 -0.985 13.6-171.8-121.4 120.8 35.1 37.9 -35.3 95 97 A I E -c 74 0A 14 -22,-2.4 -20,-2.4 -2,-0.5 2,-0.2 -0.948 13.3-143.8-118.2 128.4 37.1 39.2 -32.3 96 98 A G E > -c 75 0A 0 -2,-0.4 4,-2.4 -22,-0.2 -20,-0.2 -0.578 17.2-130.5 -83.4 152.3 38.4 37.2 -29.3 97 99 A I H > S+ 0 0 1 -22,-1.9 4,-2.0 -20,-0.4 -19,-0.1 0.807 109.2 49.0 -76.0 -30.0 38.3 38.8 -25.9 98 100 A A H > S+ 0 0 0 -21,-0.5 4,-2.4 -23,-0.2 5,-0.2 0.939 113.0 49.4 -67.8 -48.4 42.0 37.9 -25.1 99 101 A E H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.932 114.1 44.6 -50.7 -53.5 42.9 39.4 -28.5 100 102 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.883 112.8 49.6 -64.9 -43.0 40.9 42.6 -27.8 101 103 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.894 113.2 46.7 -63.5 -42.7 42.2 43.1 -24.3 102 104 A M H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.877 111.0 52.4 -66.7 -40.5 45.8 42.7 -25.3 103 105 A H H < S+ 0 0 66 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.897 111.6 46.0 -61.9 -43.2 45.3 45.1 -28.3 104 106 A M H >X S+ 0 0 40 -4,-2.1 3,-1.0 1,-0.2 4,-0.7 0.854 106.8 59.6 -67.6 -36.8 43.9 47.8 -26.0 105 107 A A H >X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.3 3,-0.6 0.836 100.5 54.2 -62.3 -36.5 46.6 47.3 -23.4 106 108 A T H 3< S+ 0 0 44 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.631 106.2 55.0 -72.6 -14.4 49.4 48.2 -25.9 107 109 A M H <4 S+ 0 0 133 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.622 117.6 31.4 -92.1 -17.3 47.5 51.4 -26.6 108 110 A V H << S+ 0 0 88 -4,-0.7 2,-0.3 -3,-0.6 -2,-0.2 0.476 124.7 27.9-119.4 -8.7 47.4 52.7 -23.0 109 111 A A < - 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0 0 3 -2,-0.4 4,-1.5 -23,-0.1 5,-0.1 -0.884 11.8-152.3 -95.0 129.5 25.0 5.6 12.0 449 205 B G H > S+ 0 0 2 -2,-0.5 4,-2.7 -23,-0.4 5,-0.2 0.756 90.1 63.1 -73.0 -28.4 23.9 7.1 8.6 450 206 B V H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.968 109.4 39.0 -60.0 -55.5 27.0 9.3 8.3 451 207 B S H > S+ 0 0 15 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.871 116.8 52.6 -62.1 -39.7 29.4 6.3 8.2 452 208 B A H X S+ 0 0 7 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.899 107.1 51.2 -63.4 -43.6 26.9 4.3 6.1 453 209 B A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.855 106.0 55.2 -64.5 -38.3 26.6 7.1 3.4 454 210 B V H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.918 109.2 47.3 -59.3 -45.5 30.3 7.4 3.0 455 211 B K H X S+ 0 0 71 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.816 110.4 53.4 -66.9 -32.1 30.5 3.6 2.2 456 212 B M H X S+ 0 0 44 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.899 110.5 45.6 -68.5 -43.2 27.6 4.0 -0.2 457 213 B V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.938 113.6 50.0 -63.7 -48.1 29.4 6.8 -2.1 458 214 B E H X S+ 0 0 22 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.892 111.7 49.3 -54.7 -44.5 32.6 4.8 -2.1 459 215 B S H X S+ 0 0 56 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.923 111.5 47.5 -62.9 -47.7 30.8 1.8 -3.4 460 216 B L H <>S+ 0 0 48 -4,-2.3 5,-3.2 2,-0.2 4,-0.4 0.881 112.6 49.1 -62.6 -41.5 29.0 3.7 -6.2 461 217 B V H ><5S+ 0 0 42 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.897 112.0 48.8 -64.8 -41.9 32.3 5.4 -7.3 462 218 B A H 3<5S+ 0 0 88 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.798 110.1 51.9 -67.6 -30.6 34.1 2.0 -7.3 463 219 B L T 3<5S- 0 0 125 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.534 116.1-117.0 -80.5 -8.4 31.2 0.5 -9.4 464 220 B G T < 5 + 0 0 69 -3,-0.8 2,-0.4 -4,-0.4 -3,-0.2 0.783 68.7 140.9 74.7 30.3 31.5 3.4 -11.9 465 221 B L < + 0 0 93 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.3 -0.893 21.4 163.7-113.7 133.5 28.0 4.6 -11.1 466 222 B A - 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