==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 20-MAR-12 4E8G . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME, N . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,S.R.WASSERMAN,L.L.MORISCO,S.SOJI . 721 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 508 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 9.0 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 46 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 3 0 0 2 0 4 2 4 0 3 1 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 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 0 PARALLEL BRIDGES PER LADDER . 1 3 4 0 0 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 2 0 0 0 2 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 X 0 0 72 0, 0.0 2,-0.3 0, 0.0 66,-0.2 0.000 360.0 360.0 360.0 145.3 39.3 25.0 16.5 2 2 A K - 0 0 103 63,-0.2 24,-1.7 64,-0.1 2,-0.5 -0.983 360.0-105.5-140.3 151.7 36.0 23.1 16.0 3 3 A I E +A 25 0A 1 61,-2.4 60,-2.7 -2,-0.3 22,-0.3 -0.645 37.5 170.8 -71.7 123.1 33.4 21.2 18.1 4 4 A A E + 0 0 22 20,-2.9 2,-0.3 -2,-0.5 21,-0.2 0.743 61.9 16.9-102.6 -32.6 34.0 17.5 17.6 5 5 A E E -A 24 0A 73 19,-2.0 19,-2.6 2,-0.0 2,-0.4 -0.994 52.9-164.2-141.6 145.8 31.6 16.0 20.2 6 6 A I E -AB 23 354A 2 348,-2.3 348,-2.4 -2,-0.3 2,-0.4 -0.988 13.4-169.2-128.4 126.4 28.7 17.1 22.3 7 7 A H E -AB 22 353A 30 15,-2.8 15,-2.8 -2,-0.4 2,-0.4 -0.952 6.0-156.9-118.8 133.0 27.6 15.0 25.3 8 8 A V E -AB 21 352A 2 344,-3.2 343,-2.3 -2,-0.4 344,-1.4 -0.902 12.1-169.1-108.5 131.0 24.3 15.4 27.3 9 9 A Y E -A 20 0A 2 11,-3.1 11,-1.8 -2,-0.4 2,-0.4 -0.904 14.1-149.8-120.2 149.9 24.0 14.2 30.9 10 10 A A E +A 19 0A 32 -2,-0.3 2,-0.3 339,-0.3 9,-0.2 -0.963 24.0 170.5-114.1 134.9 21.0 13.8 33.3 11 11 A H E -A 18 0A 33 7,-2.2 7,-2.8 -2,-0.4 2,-0.3 -0.999 25.7-132.8-147.6 135.1 21.7 14.2 37.0 12 12 A D E A 17 0A 109 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.661 360.0 360.0 -89.9 146.2 19.4 14.4 40.1 13 13 A L 0 0 46 3,-2.1 3,-1.7 -2,-0.3 270,-0.0 -0.881 360.0 360.0-125.5 360.0 19.8 17.1 42.8 14 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 15 29 A S 0 0 123 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 169.6 14.8 16.5 43.8 16 30 A L - 0 0 34 -3,-1.7 -3,-2.1 23,-0.0 2,-0.8 -0.956 360.0-129.3-116.2 142.4 15.4 18.6 40.7 17 31 A Q E -A 12 0A 91 -2,-0.4 2,-0.2 20,-0.2 -5,-0.2 -0.800 28.0-168.0 -92.7 107.7 16.5 17.1 37.4 18 32 A T E -A 11 0A 0 -7,-2.8 -7,-2.2 -2,-0.8 2,-0.5 -0.620 9.9-146.3 -94.0 157.3 19.5 19.0 36.0 19 33 A T E -AC 10 35A 0 16,-1.8 16,-2.1 -2,-0.2 2,-0.3 -0.986 12.3-163.9-126.2 121.0 21.0 18.6 32.5 20 34 A L E -AC 9 34A 0 -11,-1.8 -11,-3.1 -2,-0.5 2,-0.4 -0.817 2.1-158.2-106.1 146.1 24.7 19.0 31.9 21 35 A V E -AC 8 33A 0 12,-2.5 12,-2.5 -2,-0.3 2,-0.5 -0.985 2.6-166.0-123.3 131.4 26.4 19.5 28.5 22 36 A K E -AC 7 32A 40 -15,-2.8 -15,-2.8 -2,-0.4 2,-0.5 -0.971 5.0-163.8-115.8 119.3 30.0 18.7 27.7 23 37 A I E -AC 6 31A 0 8,-2.8 8,-2.5 -2,-0.5 2,-0.5 -0.899 6.1-163.4-100.2 127.8 31.5 20.2 24.5 24 38 A V E -AC 5 30A 17 -19,-2.6 -20,-2.9 -2,-0.5 -19,-2.0 -0.954 6.5-149.3-114.2 123.8 34.7 18.5 23.3 25 39 A A E > -A 3 0A 2 4,-3.3 3,-1.5 -2,-0.5 -22,-0.2 -0.313 34.8 -97.7 -79.6 170.9 36.9 20.3 20.7 26 40 A D T 3 S+ 0 0 97 -24,-1.7 -23,-0.1 1,-0.3 -1,-0.1 0.842 125.5 56.5 -52.6 -38.6 39.1 18.6 18.1 27 41 A S T 3 S- 0 0 86 -25,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.646 120.9-109.0 -71.4 -14.4 42.1 19.1 20.5 28 42 A G S < S+ 0 0 49 -3,-1.5 2,-0.1 1,-0.4 -2,-0.1 0.281 72.7 144.0 98.0 -9.4 40.3 17.2 23.2 29 43 A L - 0 0 52 -5,-0.1 -4,-3.3 1,-0.0 -1,-0.4 -0.454 36.0-153.6 -63.6 134.6 39.8 20.4 25.1 30 44 A A E -C 24 0A 15 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.864 16.9-167.0-121.1 147.8 36.4 20.4 26.9 31 45 A G E -C 23 0A 0 -8,-2.5 -8,-2.8 -2,-0.3 2,-0.4 -0.952 13.4-144.0-128.7 151.5 33.8 22.9 28.1 32 46 A W E +C 22 0A 12 -2,-0.3 2,-0.3 60,-0.2 -10,-0.2 -0.931 17.0 174.1-122.4 139.8 30.8 22.5 30.4 33 47 A G E -C 21 0A 0 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.3 -0.866 8.6-163.3-132.4 169.2 27.4 24.0 30.5 34 48 A E E -C 20 0A 0 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.996 10.0-175.8-154.2 145.7 24.2 23.4 32.6 35 49 A T E +C 19 0A 1 -16,-2.1 -16,-1.8 -2,-0.3 248,-0.1 -0.970 7.1 171.6-146.5 135.6 20.5 24.1 32.6 36 50 A C - 0 0 1 246,-0.4 -18,-0.1 -2,-0.3 246,-0.1 -0.695 20.9-148.0-151.0 87.4 18.0 23.2 35.4 37 51 A P - 0 0 9 0, 0.0 2,-2.1 0, 0.0 -20,-0.2 -0.279 25.5-122.3 -53.1 136.5 14.4 24.5 35.3 38 52 A V S S- 0 0 42 1,-0.2 4,-0.2 -22,-0.1 3,-0.2 -0.411 81.1 -42.6 -82.9 65.1 13.0 25.0 38.8 39 53 A G S >> S- 0 0 24 -2,-2.1 3,-0.8 1,-0.1 4,-0.5 0.089 73.8 -88.2 84.6 153.5 10.1 22.6 38.2 40 54 A P T 34 S+ 0 0 92 0, 0.0 5,-0.3 0, 0.0 -1,-0.1 0.467 120.4 57.5 -78.1 0.9 8.1 22.5 35.0 41 55 A T T 34 S+ 0 0 125 -3,-0.2 -2,-0.1 3,-0.1 5,-0.1 0.511 87.8 69.0-109.6 -9.3 5.6 25.2 36.2 42 56 A Y T <4 S+ 0 0 45 -3,-0.8 -1,-0.1 -4,-0.2 -3,-0.1 0.911 115.1 2.2 -73.0 -42.6 7.8 28.2 37.0 43 57 A A S < S- 0 0 26 -4,-0.5 2,-3.2 2,-0.4 -1,-0.2 -0.913 89.2 -87.1-141.5 159.8 8.7 29.0 33.4 44 58 A P S S+ 0 0 129 0, 0.0 2,-0.3 0, 0.0 39,-0.1 -0.369 100.3 88.7 -69.1 67.8 8.0 27.6 29.9 45 59 A S + 0 0 16 -2,-3.2 -2,-0.4 -5,-0.3 2,-0.3 -0.973 48.0 172.3-163.1 150.1 10.8 25.1 30.4 46 60 A H > - 0 0 87 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.980 42.9-103.1-162.3 162.2 11.4 21.6 31.8 47 61 A A H > S+ 0 0 8 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.902 119.7 46.2 -61.8 -47.0 14.1 18.9 32.1 48 62 A L H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.885 113.5 52.4 -61.2 -37.0 12.8 16.6 29.4 49 63 A G H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.868 105.0 55.4 -65.3 -39.2 12.3 19.7 27.2 50 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.942 110.9 43.3 -57.9 -50.9 16.0 20.6 27.8 51 65 A R H X S+ 0 0 56 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.858 113.5 51.9 -67.5 -35.5 17.3 17.3 26.6 52 66 A A H X S+ 0 0 63 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.927 111.0 47.3 -64.8 -44.2 14.9 17.2 23.6 53 67 A A H X S+ 0 0 5 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.916 112.8 48.6 -64.7 -42.4 16.0 20.7 22.5 54 68 A L H X S+ 0 0 3 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.891 109.8 52.4 -63.8 -39.5 19.7 19.8 22.9 55 69 A A H < S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.868 108.6 52.1 -65.0 -36.3 19.1 16.6 20.9 56 70 A E H < S+ 0 0 122 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.892 119.6 33.0 -63.9 -41.9 17.5 18.7 18.2 57 71 A X H >< S+ 0 0 1 -4,-1.9 3,-0.9 1,-0.1 4,-0.4 0.828 98.8 79.1 -86.3 -34.8 20.4 21.2 17.9 58 72 A A G >X S+ 0 0 2 -4,-3.0 3,-2.0 1,-0.3 4,-0.9 0.830 89.4 51.8 -50.7 -48.5 23.5 19.1 18.7 59 73 A P G >4 S+ 0 0 77 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.880 109.7 52.1 -60.0 -34.0 24.0 17.3 15.3 60 74 A G G <4 S+ 0 0 24 -3,-0.9 -2,-0.2 -4,-0.3 -3,-0.1 0.432 105.1 57.1 -79.9 -0.3 23.9 20.7 13.5 61 75 A L G X4 S+ 0 0 0 -3,-2.0 3,-2.2 -4,-0.4 -58,-0.3 0.585 75.0 111.8-104.7 -14.3 26.5 22.1 15.8 62 76 A I T << S+ 0 0 37 -4,-0.9 -58,-0.2 -3,-0.6 3,-0.1 -0.395 84.0 23.4 -60.4 130.3 29.3 19.6 15.1 63 77 A G T 3 S+ 0 0 28 -60,-2.7 -1,-0.3 1,-0.3 -59,-0.1 0.272 93.5 134.2 94.5 -10.4 32.1 21.3 13.3 64 78 A A < - 0 0 2 -3,-2.2 -61,-2.4 -61,-0.1 -1,-0.3 -0.332 64.9-109.5 -72.0 153.9 31.2 24.8 14.6 65 79 A N > - 0 0 52 -63,-0.2 3,-1.2 1,-0.1 -63,-0.2 -0.755 26.0-165.5 -84.7 109.4 33.8 27.2 16.0 66 80 A P T 3 S+ 0 0 0 0, 0.0 32,-0.3 0, 0.0 -1,-0.1 0.468 78.9 73.3 -77.3 0.7 33.2 27.3 19.7 67 81 A L T 3 S+ 0 0 14 -66,-0.2 413,-0.2 1,-0.2 -2,-0.0 0.251 84.7 69.8 -95.8 11.8 35.3 30.5 20.1 68 82 A Q <> - 0 0 26 -3,-1.2 4,-2.6 1,-0.1 5,-0.2 -0.746 59.5-179.7-130.4 84.0 32.7 32.7 18.5 69 83 A P H > S+ 0 0 10 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.786 81.4 45.8 -62.1 -34.0 29.7 33.1 20.9 70 84 A L H > S+ 0 0 0 410,-1.6 4,-2.3 2,-0.2 5,-0.2 0.909 114.0 47.0 -74.9 -42.3 27.6 35.3 18.7 71 85 A V H > S+ 0 0 38 409,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.913 113.5 51.2 -62.0 -40.3 28.1 33.3 15.5 72 86 A L H X S+ 0 0 4 -4,-2.6 4,-2.4 408,-0.3 -1,-0.2 0.898 107.3 52.3 -63.9 -42.4 27.4 30.2 17.5 73 87 A R H X S+ 0 0 33 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.927 110.0 48.2 -60.9 -45.1 24.1 31.7 18.9 74 88 A R H X S+ 0 0 38 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.864 109.6 53.3 -61.5 -37.8 22.9 32.6 15.3 75 89 A R H < S+ 0 0 107 -4,-2.0 4,-0.4 2,-0.2 3,-0.3 0.932 109.5 48.5 -63.5 -44.1 23.8 29.0 14.2 76 90 A X H >X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 3,-1.9 0.915 107.4 54.9 -59.0 -43.8 21.7 27.7 17.1 77 91 A D H 3< S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.817 102.9 58.2 -59.7 -29.3 18.8 30.0 16.2 78 92 A G T 3< S+ 0 0 69 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.592 111.4 41.3 -76.9 -10.6 19.0 28.5 12.7 79 93 A L T <4 S+ 0 0 64 -3,-1.9 2,-0.3 -4,-0.4 -2,-0.2 0.693 127.5 12.1-106.2 -28.9 18.4 25.0 14.1 80 94 A L < - 0 0 31 -4,-2.0 -1,-0.3 2,-0.1 2,-0.2 -0.933 67.9-131.5-156.7 126.5 15.6 25.8 16.7 81 95 A C S S- 0 0 116 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.0 -0.562 74.7 -19.4 -78.0 141.0 13.4 28.8 17.5 82 96 A G S S+ 0 0 35 -2,-0.2 5,-0.2 1,-0.1 -2,-0.1 -0.332 73.8 126.6 66.6-140.9 13.2 29.9 21.1 83 97 A H >> + 0 0 84 -39,-0.1 4,-2.1 1,-0.1 3,-1.5 0.851 27.7 166.8 53.4 41.3 14.2 27.5 23.8 84 98 A N H 3> + 0 0 46 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.838 68.1 63.5 -52.6 -37.8 16.7 29.9 25.4 85 99 A Y H 34 S+ 0 0 21 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.800 109.6 40.3 -63.0 -25.8 17.1 27.8 28.5 86 100 A A H X> S+ 0 0 0 -3,-1.5 4,-1.0 2,-0.2 3,-0.7 0.873 112.1 53.6 -87.7 -42.3 18.5 25.0 26.4 87 101 A K H 3X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 3,-0.4 0.867 100.3 65.1 -56.4 -36.0 20.7 27.3 24.2 88 102 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.7 166,-0.3 171,-0.2 0.853 94.8 57.1 -58.6 -37.8 22.1 28.7 27.4 89 103 A A H <> S+ 0 0 0 -3,-0.7 4,-1.8 -4,-0.5 -1,-0.2 0.905 110.4 43.6 -60.2 -41.4 23.8 25.4 28.3 90 104 A I H X S+ 0 0 3 -4,-1.0 4,-2.2 -3,-0.4 -2,-0.2 0.929 112.9 52.0 -69.5 -46.2 25.6 25.3 24.9 91 105 A D H X S+ 0 0 5 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.914 110.4 49.0 -55.1 -45.1 26.6 29.0 25.2 92 106 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -60,-0.2 0.922 109.1 51.5 -64.3 -42.8 28.0 28.5 28.7 93 107 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.880 109.0 51.6 -62.1 -39.0 30.1 25.4 27.7 94 108 A A H X S+ 0 0 1 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.886 109.1 49.2 -66.2 -41.0 31.6 27.4 24.8 95 109 A Y H X S+ 0 0 14 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.901 110.6 51.5 -62.3 -40.3 32.6 30.3 27.1 96 110 A D H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.951 112.8 45.4 -58.3 -49.2 34.2 27.7 29.5 97 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.924 112.0 51.3 -61.4 -47.9 36.1 26.3 26.5 98 112 A X H X S+ 0 0 7 -4,-3.0 4,-2.6 -32,-0.3 5,-0.3 0.928 109.6 50.3 -52.2 -51.1 37.1 29.7 25.2 99 113 A G H X>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-1.7 0.910 112.0 46.9 -57.2 -45.0 38.4 30.7 28.7 100 114 A K H <5S+ 0 0 67 -4,-2.3 -1,-0.2 236,-0.2 -2,-0.2 0.856 111.5 52.6 -65.7 -35.1 40.5 27.5 28.9 101 115 A H H <5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.936 119.7 31.9 -66.6 -46.0 41.8 28.0 25.4 102 116 A Y H <5S- 0 0 37 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.626 108.6-120.4 -86.8 -13.7 43.0 31.6 26.0 103 117 A G T <5S+ 0 0 51 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.947 70.5 124.6 72.2 51.7 43.8 31.0 29.6 104 118 A V < - 0 0 9 -5,-2.4 233,-2.8 -6,-0.1 -1,-0.3 -0.976 65.9-105.3-142.0 147.9 41.4 33.7 30.9 105 119 A R B > -d 337 0B 37 -2,-0.3 3,-1.0 231,-0.3 4,-0.4 -0.506 32.6-120.1 -71.4 145.9 38.5 33.8 33.3 106 120 A V G >> S+ 0 0 0 231,-2.1 3,-2.0 1,-0.3 4,-0.8 0.883 113.6 61.2 -54.7 -39.2 35.1 34.0 31.7 107 121 A A G >4>S+ 0 0 0 230,-0.3 5,-2.4 1,-0.3 3,-0.7 0.852 101.1 53.3 -57.9 -34.3 34.4 37.3 33.5 108 122 A D G <45S+ 0 0 23 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.500 105.1 54.8 -80.5 -3.6 37.5 38.7 31.7 109 123 A L G <45S+ 0 0 28 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.530 105.9 54.0 -94.1 -10.9 35.9 37.6 28.4 110 124 A L T <<5S- 0 0 10 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.1 0.142 140.1 -67.1-110.0 16.0 32.8 39.5 29.3 111 125 A G T 5S- 0 0 7 325,-0.2 328,-1.7 -3,-0.1 329,-1.3 0.101 89.6 -67.3 125.4 -23.6 34.4 42.9 29.9 112 126 A G < - 0 0 0 -5,-2.4 2,-0.5 327,-0.2 -4,-0.2 -0.132 56.3 -66.5 121.4 148.6 36.5 42.3 33.0 113 127 A V + 0 0 16 1,-0.2 184,-0.2 -2,-0.1 3,-0.1 -0.500 39.2 174.7 -66.5 116.1 36.3 41.5 36.7 114 128 A A S S+ 0 0 34 182,-3.2 2,-0.3 -2,-0.5 183,-0.2 0.618 74.5 12.8 -95.8 -16.8 34.8 44.4 38.6 115 129 A A - 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0 0 47 -2,-0.2 3,-2.0 1,-0.1 4,-0.6 -0.427 36.1-128.4 -57.1 125.5 24.4 40.0 10.9 669 314 B P G >4 S+ 0 0 86 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.836 104.8 55.1 -53.1 -38.7 24.8 40.3 7.1 670 315 B R G 34 S+ 0 0 175 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.705 113.1 43.6 -70.5 -16.5 21.1 41.1 6.4 671 316 B L G <4 S+ 0 0 6 -3,-2.0 -26,-2.4 -27,-0.1 2,-1.0 0.436 86.2 110.4-102.4 -2.0 21.3 44.1 8.8 672 317 B N E << +b 645 0J 13 -3,-1.2 -26,-0.2 -4,-0.6 3,-0.1 -0.637 37.6 177.9 -84.7 103.3 24.7 45.4 7.7 673 318 B E E - 0 0 15 -28,-2.2 -27,-0.3 -2,-1.0 -1,-0.2 0.504 56.5 -98.8 -80.2 -3.3 24.3 48.7 5.9 674 319 B G E -b 646 0J 0 -29,-0.6 -27,-2.2 -10,-0.1 2,-0.5 -0.330 25.9 -85.3 117.6 166.8 28.1 48.8 5.5 675 320 B V - 0 0 0 -187,-2.2 2,-0.4 -29,-0.2 -185,-0.4 -0.972 34.8-153.7-115.4 118.4 31.4 50.2 6.8 676 321 B W + 0 0 22 -2,-0.5 -27,-0.5 -29,-0.3 2,-0.3 -0.775 17.1 178.3 -88.6 133.8 32.4 53.6 5.6 677 322 B V - 0 0 6 -2,-0.4 -24,-0.1 -187,-0.3 -187,-0.1 -0.968 34.4-136.1-133.2 153.3 36.2 54.4 5.6 678 323 B A S > S+ 0 0 2 -26,-0.6 3,-2.6 -2,-0.3 4,-0.4 0.452 71.3 113.5 -83.9 -0.6 38.1 57.5 4.5 679 324 B Q G > + 0 0 58 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.773 68.1 57.7 -42.2 -45.0 40.8 55.4 2.7 680 325 B P G 3 S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.717 109.7 47.2 -66.0 -16.1 40.0 56.5 -0.9 681 326 B Y G < S+ 0 0 23 -3,-2.6 -309,-1.8 -310,-0.1 2,-0.5 0.408 96.8 88.3 -99.5 0.4 40.7 60.1 0.2 682 327 B I B < -Q 371 0F 16 -3,-1.6 -311,-0.1 -4,-0.4 -313,-0.0 -0.887 55.8-164.3-109.8 123.7 44.0 59.4 2.1 683 328 B A S S+ 0 0 69 -2,-0.5 -1,-0.1 -313,-0.5 -312,-0.1 0.908 76.4 41.1 -70.0 -47.1 47.3 59.4 0.2 684 329 B Q S S- 0 0 77 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.907 71.9-152.4-114.6 110.7 49.6 57.6 2.7 685 330 B P - 0 0 46 0, 0.0 3,-0.2 0, 0.0 27,-0.1 -0.395 17.5-133.0 -71.8 156.8 48.4 54.5 4.6 686 331 B Y S S+ 0 0 2 1,-0.3 26,-2.3 25,-0.1 2,-0.5 0.782 99.5 35.1 -77.7 -29.8 49.9 53.7 8.0 687 332 B D > - 0 0 10 24,-0.2 4,-1.8 1,-0.1 -1,-0.3 -0.909 63.4-174.8-130.4 100.8 50.4 50.0 7.1 688 333 B E T 4 S+ 0 0 146 -2,-0.5 -1,-0.1 -3,-0.2 -2,-0.0 0.711 85.4 47.0 -69.9 -18.7 51.3 49.4 3.4 689 334 B E T 4 S+ 0 0 176 21,-0.2 -1,-0.2 1,-0.1 20,-0.0 0.841 132.0 7.8 -91.7 -38.4 51.2 45.6 3.9 690 335 B N T 4 S+ 0 0 92 20,-0.2 -2,-0.2 12,-0.1 3,-0.1 0.318 88.6 136.6-128.6 7.9 47.9 45.0 5.8 691 336 B G < - 0 0 15 -4,-1.8 2,-0.2 1,-0.1 -36,-0.0 -0.142 64.5 -87.5 -61.3 155.4 46.2 48.4 5.8 692 337 B I + 0 0 4 -38,-0.1 2,-0.4 7,-0.1 -1,-0.1 -0.416 51.8 175.2 -68.6 129.1 42.4 48.7 5.1 693 338 B R - 0 0 180 7,-0.3 7,-0.6 -2,-0.2 2,-0.4 -0.993 30.0-127.5-136.3 141.2 41.5 49.1 1.4 694 339 B I E +U 699 0I 34 -2,-0.4 2,-0.4 5,-0.1 5,-0.2 -0.748 30.9 176.9 -82.2 133.9 38.2 49.3 -0.5 695 340 B A E > -U 698 0I 58 3,-3.0 3,-1.2 -2,-0.4 -2,-0.0 -0.952 68.2 -12.8-140.9 119.7 38.1 46.8 -3.3 696 341 B G T 3 S- 0 0 47 -2,-0.4 3,-0.1 1,-0.2 -184,-0.1 0.892 126.4 -56.5 57.2 41.8 35.0 46.3 -5.4 697 342 B G T 3 S+ 0 0 1 1,-0.2 -208,-2.2 -184,-0.1 2,-0.3 0.625 123.2 90.2 69.6 11.7 32.8 48.4 -3.0 698 343 B H E < -TU 488 695I 55 -3,-1.2 -3,-3.0 -210,-0.2 2,-0.4 -0.871 67.8-131.5-133.4 167.0 33.8 46.0 -0.1 699 344 B I E -TU 487 694I 0 -212,-3.1 -212,-3.2 -2,-0.3 2,-0.4 -0.980 13.5-141.5-126.5 124.7 36.5 45.7 2.5 700 345 B D E -T 486 0I 73 -7,-0.6 -7,-0.3 -2,-0.4 -214,-0.2 -0.664 28.8-119.1 -79.6 129.3 38.4 42.5 3.3 701 346 B L - 0 0 0 -216,-3.2 -1,-0.1 -2,-0.4 7,-0.1 -0.489 33.2-105.3 -67.3 135.2 39.0 42.0 7.1 702 347 B P - 0 0 10 0, 0.0 7,-0.1 0, 0.0 -1,-0.1 -0.295 24.9-143.3 -59.4 150.5 42.7 42.0 8.0 703 348 B K + 0 0 110 5,-0.2 5,-0.1 -3,-0.1 -229,-0.1 0.619 64.8 90.0 -95.3 -14.0 43.9 38.4 8.9 704 349 B G S S- 0 0 29 4,-0.2 5,-0.1 1,-0.2 -235,-0.0 -0.177 84.8 -78.8 -85.4 174.2 46.4 39.1 11.7 705 350 B P S > S+ 0 0 73 0, 0.0 3,-1.4 0, 0.0 -231,-0.3 -0.266 98.4 5.4 -71.0 159.5 45.9 39.2 15.5 706 351 B G B 3 S-s 474 0H 0 -233,-3.0 -231,-2.1 1,-0.3 -230,-0.3 -0.444 140.2 -21.6 68.4-140.3 44.4 42.3 17.2 707 352 B L T 3 S- 0 0 1 2,-0.2 -1,-0.3 -233,-0.2 -3,-0.1 0.680 87.1-125.2 -72.6 -17.0 43.3 44.9 14.6 708 353 B G S < S+ 0 0 7 -3,-1.4 2,-0.4 1,-0.3 -4,-0.2 0.568 73.2 119.3 82.5 11.2 45.7 43.2 12.2 709 354 B I - 0 0 6 -4,-0.1 -1,-0.3 -7,-0.1 -2,-0.2 -0.920 46.1-168.2-115.7 132.6 47.4 46.6 11.6 710 355 B T - 0 0 99 -2,-0.4 -21,-0.2 -3,-0.1 -20,-0.2 -0.904 22.5-146.6-118.6 99.1 51.0 47.5 12.2 711 356 B P - 0 0 11 0, 0.0 2,-1.7 0, 0.0 -24,-0.2 -0.387 19.1-120.2 -68.4 136.8 51.4 51.3 11.9 712 357 B D > - 0 0 81 -26,-2.3 3,-1.8 1,-0.2 4,-0.4 -0.645 31.8-162.3 -73.1 89.7 54.6 52.7 10.5 713 358 B E G > S+ 0 0 70 -2,-1.7 3,-1.3 1,-0.3 4,-0.4 0.745 79.9 67.7 -50.3 -32.0 55.2 54.6 13.8 714 359 B S G > S+ 0 0 87 1,-0.2 3,-1.6 2,-0.2 -1,-0.3 0.874 87.1 67.6 -57.8 -41.0 57.7 56.9 12.1 715 360 B L G < S+ 0 0 56 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.744 95.3 56.8 -49.6 -29.8 55.0 58.6 10.0 716 361 B F G < S- 0 0 8 -3,-1.3 -350,-0.3 -4,-0.4 -1,-0.3 0.677 100.2-134.8 -85.0 -19.1 53.4 60.2 13.0 717 362 B G < - 0 0 32 -3,-1.6 -1,-0.2 -4,-0.4 3,-0.1 -0.267 48.8 -35.8 85.5 178.4 56.4 62.1 14.3 718 363 B P S S- 0 0 113 0, 0.0 -352,-0.4 0, 0.0 -4,-0.0 -0.374 80.7 -88.2 -67.1 154.5 57.4 62.1 18.0 719 364 B P - 0 0 44 0, 0.0 -354,-0.3 0, 0.0 3,-0.1 -0.334 22.2-144.7 -63.2 145.7 54.5 62.1 20.5 720 365 B V S S+ 0 0 92 -356,-2.1 2,-0.3 1,-0.3 -355,-0.2 0.599 90.4 16.2 -83.2 -12.9 53.0 65.5 21.5 721 366 B A E -O 364 0E 28 -357,-1.3 -357,-2.8 2,-0.0 2,-0.3 -0.942 67.5-170.7-159.1 134.4 52.5 64.0 25.0 722 367 B S E -O 363 0E 69 -2,-0.3 2,-0.4 -359,-0.2 -359,-0.2 -0.976 6.5-164.4-129.1 147.1 53.8 61.0 26.8 723 368 B F E O 362 0E 39 -361,-2.0 -361,-1.9 -2,-0.3 -2,-0.0 -0.994 360.0 360.0-136.1 133.7 52.7 59.5 30.1 724 369 B S 0 0 140 -2,-0.4 -1,-0.1 -363,-0.2 -363,-0.0 0.255 360.0 360.0-149.9 360.0 54.3 57.0 32.5