==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-DEC-07 3BSM . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOHALOBACTER SALEXIGENS DSM 3043; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,R.TORO,J.M.SAUDER,S.K.BURLEY, . 1432 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1015 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 7.5 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 469 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.5 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 0 16 8 0 0 0 7 5 0 11 1 0 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 16 8 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 PARALLEL BRIDGES PER LADDER . 8 4 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 8 0 0 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 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 L 0 0 84 0, 0.0 59,-1.6 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 95.9 7.5 19.5 10.5 2 4 A K B -A 59 0A 127 57,-0.2 23,-2.5 58,-0.1 2,-0.8 -0.246 360.0-104.3 -68.8 155.7 9.6 22.3 9.2 3 5 A I E +B 24 0B 2 55,-2.4 54,-2.9 52,-0.4 21,-0.3 -0.730 39.2 173.5 -84.0 112.0 11.3 24.9 11.4 4 6 A R E + 0 0 154 19,-1.8 2,-0.3 -2,-0.8 20,-0.2 0.800 65.5 7.6 -89.1 -31.6 9.3 28.1 11.1 5 7 A D E +B 23 0B 59 18,-2.0 18,-3.6 50,-0.1 2,-0.3 -0.999 55.5 174.7-153.5 149.1 11.2 30.1 13.8 6 8 A A E +B 22 0B 3 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.974 13.3 157.8-152.9 137.9 14.3 29.9 16.0 7 9 A Y E -B 21 0B 56 14,-2.1 14,-2.9 -2,-0.3 2,-0.2 -0.992 34.2-112.8-159.1 159.5 15.8 32.4 18.4 8 10 A T E -B 20 0B 24 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.608 20.5-155.7 -95.0 157.7 18.1 32.7 21.4 9 11 A I E -B 19 0B 21 10,-2.4 10,-2.2 -2,-0.2 2,-0.6 -0.978 4.0-164.5-136.1 118.8 17.0 33.8 24.9 10 12 A V E +B 18 0B 55 -2,-0.4 348,-0.4 8,-0.2 2,-0.3 -0.928 20.1 159.8-110.3 118.5 19.4 35.4 27.3 11 13 A T E -B 17 0B 0 6,-2.0 6,-2.3 -2,-0.6 348,-0.1 -0.875 29.7-154.2-131.0 163.6 18.3 35.6 31.0 12 14 A C + 0 0 8 344,-1.9 2,-3.1 341,-0.4 4,-0.2 -0.256 24.3 159.7-138.6 53.1 20.1 36.0 34.3 13 15 A P S S- 0 0 1 0, 0.0 308,-0.5 0, 0.0 305,-0.2 -0.213 97.9 -27.6 -71.8 55.1 18.1 34.6 37.2 14 16 A G S S+ 0 0 55 -2,-3.1 2,-0.3 306,-0.1 -2,-0.1 -0.223 142.7 9.8 129.4 -41.1 21.2 34.3 39.3 15 17 A R S S- 0 0 45 274,-0.1 2,-0.1 303,-0.1 -4,-0.1 -0.953 96.5 -72.3-157.8 164.9 23.7 34.0 36.5 16 18 A N + 0 0 22 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.424 46.3 177.9 -70.0 138.5 23.7 34.3 32.7 17 19 A F E -B 11 0B 0 -6,-2.3 -6,-2.0 -2,-0.1 2,-0.5 -0.996 14.6-157.7-141.1 133.9 22.0 31.6 30.7 18 20 A V E -B 10 0B 0 -2,-0.3 16,-2.8 -8,-0.2 17,-0.4 -0.965 15.7-175.8-115.3 129.5 21.6 31.4 26.9 19 21 A T E -BC 9 33B 0 -10,-2.2 -10,-2.4 -2,-0.5 2,-0.5 -0.963 15.8-147.3-127.5 142.5 18.9 29.2 25.5 20 22 A L E -BC 8 32B 0 12,-2.5 12,-1.9 -2,-0.4 2,-0.4 -0.924 13.6-165.6-110.1 132.8 17.9 28.4 21.9 21 23 A K E -BC 7 31B 25 -14,-2.9 -14,-2.1 -2,-0.5 2,-0.4 -0.961 3.1-169.7-120.0 135.2 14.3 27.8 21.1 22 24 A I E -BC 6 30B 0 8,-2.8 8,-2.2 -2,-0.4 2,-0.5 -0.990 3.4-165.8-125.4 131.0 13.1 26.2 17.9 23 25 A V E -BC 5 29B 21 -18,-3.6 -18,-2.0 -2,-0.4 -19,-1.8 -0.968 9.3-145.6-121.0 130.3 9.5 26.2 16.8 24 26 A T E > -B 3 0B 1 4,-3.5 3,-2.3 -2,-0.5 -21,-0.2 -0.469 30.6-108.3 -88.4 163.0 8.0 24.0 14.0 25 27 A E T 3 S+ 0 0 106 -23,-2.5 -22,-0.1 1,-0.3 -1,-0.1 0.807 119.6 62.5 -59.4 -28.2 5.3 25.0 11.7 26 28 A S T 3 S- 0 0 76 -24,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.420 120.4-109.1 -78.3 2.1 3.0 22.6 13.6 27 29 A G S < S+ 0 0 46 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.1 -0.061 77.7 129.7 97.4 -34.3 3.5 24.7 16.7 28 30 A T - 0 0 52 -5,-0.1 -4,-3.5 1,-0.0 -1,-0.3 -0.220 37.1-171.7 -55.8 142.7 5.7 22.2 18.6 29 31 A H E -C 23 0B 40 -6,-0.3 2,-0.3 -3,-0.1 -6,-0.2 -0.882 13.4-164.6-135.0 167.1 8.9 23.7 20.0 30 32 A G E -C 22 0B 0 -8,-2.2 -8,-2.8 -2,-0.3 2,-0.3 -0.985 6.7-151.3-149.6 154.5 12.1 22.6 21.7 31 33 A I E -C 21 0B 0 -2,-0.3 2,-0.3 60,-0.2 -10,-0.2 -0.935 7.1-171.2-131.4 154.8 14.9 24.2 23.6 32 34 A G E -C 20 0B 0 -12,-1.9 -12,-2.5 -2,-0.3 2,-0.2 -0.999 29.7-108.3-144.9 144.1 18.6 23.6 24.2 33 35 A D E +C 19 0B 0 -2,-0.3 -14,-0.2 -14,-0.2 58,-0.2 -0.520 32.9 169.3 -74.7 135.5 21.2 25.1 26.5 34 36 A A + 0 0 0 -16,-2.8 2,-0.5 -2,-0.2 -15,-0.2 0.046 26.1 141.3-130.6 21.5 23.8 27.3 24.8 35 37 A T + 0 0 0 -17,-0.4 2,-0.6 49,-0.1 5,-0.1 -0.565 24.5 179.9 -76.3 118.7 25.4 28.7 27.9 36 38 A L > - 0 0 17 -2,-0.5 3,-2.6 255,-0.0 6,-0.2 -0.842 32.0-128.4-118.6 90.9 29.2 29.1 27.6 37 39 A N T 3 S+ 0 0 43 -2,-0.6 -20,-0.0 253,-0.3 253,-0.0 -0.042 87.7 8.2 -42.2 123.7 30.3 30.7 30.9 38 40 A G T 3 S+ 0 0 26 1,-0.1 -1,-0.3 -22,-0.0 755,-0.0 0.360 133.2 51.0 85.6 -7.4 32.4 33.7 30.5 39 41 A R X> + 0 0 35 -3,-2.6 3,-1.4 731,-0.0 4,-1.1 -0.024 65.2 136.4-148.4 29.7 31.9 34.0 26.8 40 42 A E H 3> + 0 0 9 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.845 69.3 55.1 -50.0 -45.0 28.1 33.8 26.6 41 43 A M H 3> S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.720 98.9 62.5 -66.6 -21.0 27.7 36.5 24.0 42 44 A A H <> S+ 0 0 0 -3,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.925 109.4 40.4 -68.6 -43.4 30.1 34.8 21.6 43 45 A V H X S+ 0 0 0 -4,-1.1 4,-2.8 -3,-0.4 5,-0.2 0.902 111.9 56.4 -70.2 -43.3 27.7 31.8 21.4 44 46 A A H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.922 111.8 42.8 -54.6 -47.2 24.6 34.0 21.3 45 47 A A H X S+ 0 0 16 -4,-2.1 4,-2.3 2,-0.2 5,-0.4 0.876 110.3 57.3 -67.0 -39.2 26.0 35.9 18.3 46 48 A Y H X>S+ 0 0 4 -4,-1.8 5,-1.7 -5,-0.2 4,-1.2 0.947 114.8 37.7 -55.9 -51.3 27.1 32.6 16.7 47 49 A L H <>S+ 0 0 0 -4,-2.8 5,-3.4 3,-0.2 4,-0.3 0.974 122.4 41.4 -65.0 -58.3 23.5 31.3 16.8 48 50 A D H <5S+ 0 0 61 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.963 122.5 37.0 -54.7 -60.8 21.7 34.5 16.0 49 51 A E H <5S+ 0 0 100 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.2 0.610 137.2 7.3 -72.4 -16.0 23.9 35.8 13.2 50 52 A H T X5S+ 0 0 28 -4,-1.2 4,-0.7 -5,-0.4 -3,-0.2 0.671 125.4 41.6-135.9 -42.4 24.8 32.5 11.6 51 53 A V H >> -A 2 0A 58 -57,-0.2 3,-1.6 1,-0.1 -57,-0.2 -0.706 26.1-153.1 -81.0 115.9 13.0 19.6 8.6 60 62 A A T 3 S+ 0 0 1 -59,-1.6 37,-0.2 -2,-0.7 -1,-0.1 0.587 88.0 68.7 -66.4 -12.1 13.4 19.4 12.4 61 63 A G T 3 S+ 0 0 6 1,-0.2 2,-1.6 -60,-0.1 3,-0.3 0.610 77.5 86.4 -82.9 -10.3 13.2 15.6 12.4 62 64 A R <> + 0 0 49 -3,-1.6 4,-2.0 1,-0.2 409,-0.2 -0.534 48.5 153.0 -90.8 71.1 16.6 15.4 10.7 63 65 A I H > S+ 0 0 0 -2,-1.6 4,-2.6 407,-0.3 -1,-0.2 0.971 71.5 45.3 -63.7 -56.3 18.7 15.6 13.9 64 66 A E H > S+ 0 0 5 406,-2.9 4,-2.5 -3,-0.3 5,-0.2 0.917 115.0 48.6 -54.1 -48.8 21.7 13.7 12.6 65 67 A D H > S+ 0 0 32 405,-0.4 4,-2.5 407,-0.4 -1,-0.2 0.851 111.0 49.3 -62.6 -38.6 21.7 15.6 9.3 66 68 A T H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.929 109.6 52.4 -68.9 -42.1 21.5 19.0 11.0 67 69 A W H X S+ 0 0 28 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.969 114.2 42.1 -55.3 -55.9 24.3 18.1 13.3 68 70 A Q H X S+ 0 0 32 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.895 113.0 55.3 -57.9 -42.0 26.6 17.1 10.4 69 71 A Y H X S+ 0 0 104 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.919 112.3 40.6 -58.8 -47.2 25.4 20.2 8.4 70 72 A L H X S+ 0 0 6 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.844 110.7 58.3 -72.2 -33.2 26.3 22.6 11.2 71 73 A Y H <>S+ 0 0 17 -4,-2.4 5,-1.5 -5,-0.3 6,-0.5 0.913 106.1 50.2 -61.1 -42.4 29.6 20.8 11.9 72 74 A R H ><5S+ 0 0 109 -4,-2.3 3,-2.2 1,-0.2 -1,-0.2 0.889 104.2 57.9 -61.8 -42.9 30.5 21.4 8.2 73 75 A G H 3<5S+ 0 0 28 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.829 100.3 57.1 -58.1 -32.4 29.7 25.1 8.5 74 76 A A T ><5S- 0 0 6 -4,-1.4 3,-0.5 -3,-0.3 -1,-0.3 0.333 124.1-108.6 -80.3 9.1 32.3 25.3 11.3 75 77 A Y T < 5 - 0 0 111 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.921 67.0 -62.6 62.0 45.7 34.8 23.9 8.8 76 78 A W T 3 - 0 0 0 -2,-0.5 4,-3.1 720,-0.2 5,-0.4 -0.972 59.2-111.1-163.3 151.2 35.7 24.5 19.7 80 82 A P H > S+ 0 0 11 0, 0.0 4,-1.2 0, 0.0 5,-0.2 0.908 120.4 38.3 -52.9 -44.5 33.9 25.6 22.9 81 83 A V H > S+ 0 0 1 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.956 118.3 48.9 -70.7 -50.5 31.9 28.2 21.0 82 84 A T H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.928 115.3 41.7 -54.6 -53.8 31.3 26.1 18.0 83 85 A M H X S+ 0 0 5 -4,-3.1 4,-2.1 1,-0.2 181,-0.4 0.749 109.9 57.4 -72.1 -24.9 30.2 22.9 19.8 84 86 A T H X S+ 0 0 0 -4,-1.2 4,-2.1 -5,-0.4 -1,-0.2 0.924 107.8 47.9 -70.7 -42.3 28.0 24.7 22.3 85 87 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.947 114.5 46.1 -60.5 -48.2 26.0 26.3 19.5 86 88 A I H X S+ 0 0 3 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.876 111.0 52.9 -62.8 -37.8 25.6 22.9 17.8 87 89 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 174,-0.4 179,-0.3 0.863 105.9 53.8 -65.9 -37.4 24.7 21.2 21.1 88 90 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.955 111.7 44.6 -62.4 -48.6 22.0 23.8 21.7 89 91 A V H X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.944 114.0 50.4 -59.2 -48.6 20.4 23.0 18.3 90 92 A D H X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.872 109.6 49.7 -59.0 -40.7 20.8 19.3 18.9 91 93 A M H X S+ 0 0 2 -4,-2.7 4,-1.8 2,-0.2 -60,-0.2 0.905 111.3 49.8 -66.9 -39.6 19.2 19.5 22.3 92 94 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.940 110.9 48.5 -64.5 -45.9 16.2 21.4 20.9 93 95 A L H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.895 111.4 49.1 -63.6 -39.1 15.7 18.9 18.0 94 96 A W H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.850 109.7 53.7 -67.1 -32.5 15.8 15.9 20.4 95 97 A D H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.976 110.7 45.7 -62.9 -53.7 13.3 17.8 22.6 96 98 A I H X S+ 0 0 4 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.900 112.8 51.3 -55.8 -44.7 11.0 18.2 19.6 97 99 A K H X S+ 0 0 8 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.917 109.4 48.0 -62.1 -46.5 11.5 14.6 18.5 98 100 A A H X>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-0.5 0.888 113.2 48.9 -62.0 -41.0 10.7 13.1 21.9 99 101 A K H ><5S+ 0 0 52 -4,-2.2 3,-2.3 243,-0.3 -2,-0.2 0.975 110.5 50.7 -61.2 -52.6 7.6 15.3 22.2 100 102 A A H 3<5S+ 0 0 58 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.802 111.6 48.7 -54.6 -30.2 6.5 14.2 18.7 101 103 A A H 3<5S- 0 0 5 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.550 109.9-128.1 -87.3 -8.0 7.1 10.6 19.9 102 104 A G T <<5S+ 0 0 52 -3,-2.3 -3,-0.2 -4,-0.5 -2,-0.1 0.845 71.5 106.1 65.2 33.5 5.0 11.3 23.0 103 105 A M S > -d 343 0C 10 0, 0.0 3,-2.0 0, 0.0 4,-1.1 -0.469 47.0-106.9 -69.2 147.9 10.3 11.2 27.7 105 107 A L H 3> S+ 0 0 1 238,-2.5 4,-1.6 236,-0.4 3,-0.4 0.807 116.3 61.6 -44.5 -42.6 13.8 11.6 26.1 106 108 A Y H 3>>S+ 0 0 9 1,-0.2 5,-2.0 233,-0.2 4,-0.5 0.811 101.9 53.6 -59.4 -28.4 15.3 8.6 27.9 107 109 A Q H X45S+ 0 0 33 -3,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.878 105.8 52.9 -71.1 -37.9 12.7 6.3 26.2 108 110 A L H 3<5S+ 0 0 0 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.816 105.7 55.6 -67.0 -30.8 13.7 7.7 22.8 109 111 A L H 3<5S- 0 0 0 -4,-1.6 -1,-0.2 1,-0.0 -2,-0.2 0.615 138.1 -68.4 -79.3 -14.8 17.4 6.8 23.5 110 112 A G T <<5S- 0 0 0 -3,-0.8 314,-2.6 -4,-0.5 313,-0.4 0.404 78.9 -89.6 139.8 3.6 16.8 3.2 24.2 111 113 A G < - 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0 0 13 -5,-1.8 -1,-0.3 1,-0.1 191,-0.1 -0.362 28.6-164.5 -60.6 133.2 24.2 12.1 49.0 144 146 A R S S+ 0 0 86 -25,-0.4 36,-2.0 190,-0.3 2,-0.3 0.442 74.5 37.6 -96.5 -3.4 26.2 8.9 48.7 145 147 A A E - i 0 180F 0 -26,-0.3 -24,-1.8 34,-0.2 2,-0.3 -0.998 64.1-171.2-149.7 146.8 29.2 10.7 47.2 146 148 A V E -hi 121 181F 0 34,-2.8 36,-2.9 -2,-0.3 2,-0.6 -0.994 21.9-136.5-142.8 146.3 31.0 14.0 47.8 147 149 A R E -hi 122 182F 23 -26,-3.3 -24,-3.0 -2,-0.3 2,-0.5 -0.903 31.0-155.1 -98.8 122.3 33.7 16.1 46.2 148 150 A V E +h 123 0F 0 34,-2.6 2,-0.3 -2,-0.6 36,-0.3 -0.870 22.0 161.1-108.8 133.0 36.0 17.4 48.9 149 151 A Q E +h 124 0F 22 -26,-2.0 -24,-0.8 -2,-0.5 2,-0.3 -0.983 6.0 170.0-141.3 148.1 38.1 20.5 48.7 150 152 A S E -h 125 0F 25 -2,-0.3 -24,-0.2 -26,-0.2 -23,-0.2 -0.977 38.1 -87.3-154.4 162.6 39.7 22.6 51.4 151 153 A G - 0 0 30 -26,-0.9 -23,-0.2 -2,-0.3 -25,-0.0 -0.359 36.9-126.5 -72.5 155.6 42.2 25.4 51.7 152 154 A V - 0 0 44 2,-0.2 8,-0.1 -25,-0.1 7,-0.1 -0.900 24.7-119.2-107.4 110.3 46.0 24.7 52.0 153 155 A P 0 0 97 0, 0.0 10,-0.1 0, 0.0 -26,-0.0 -0.188 360.0 360.0 -47.0 128.5 47.7 26.2 55.1 154 156 A G 0 0 97 5,-0.0 -2,-0.2 0, 0.0 0, 0.0 -0.164 360.0 360.0 98.2 360.0 50.4 28.5 53.7 155 ! 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 0.0 156 185 A S > 0 0 105 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 123.7 52.4 26.4 46.2 157 186 A T H > + 0 0 54 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.928 360.0 53.8 -62.7 -46.5 52.4 23.0 44.6 158 187 A E H > S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.888 108.3 48.4 -58.4 -42.3 54.4 21.4 47.4 159 188 A K H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 112.8 49.7 -65.6 -40.1 52.1 22.5 50.2 160 189 A Y H X S+ 0 0 38 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.959 109.0 50.8 -62.0 -51.6 49.1 21.2 48.2 161 190 A L H < S+ 0 0 6 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.858 115.5 43.1 -56.5 -35.9 50.7 17.8 47.6 162 191 A N H X S+ 0 0 79 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.826 117.6 45.5 -80.3 -30.0 51.4 17.5 51.3 163 192 A H H >X S+ 0 0 21 -4,-2.3 4,-1.5 -5,-0.2 3,-0.8 0.890 97.7 68.9 -79.9 -41.6 48.0 18.8 52.4 164 193 A A H 3X S+ 0 0 2 -4,-3.0 4,-1.8 1,-0.3 3,-0.3 0.870 97.4 52.1 -45.9 -49.8 45.7 16.9 50.1 165 194 A P H 3> S+ 0 0 20 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.860 105.6 55.9 -58.6 -36.5 46.4 13.4 51.7 166 195 A K H - 0 0 3 25,-2.4 3,-1.4 -2,-0.5 26,-0.1 0.468 32.6-135.0 -95.5 0.7 43.0 19.0 41.4 186 215 A H T 3 - 0 0 73 24,-0.4 26,-0.2 1,-0.2 25,-0.1 0.848 53.5 -77.6 48.7 43.0 42.2 21.9 39.0 187 216 A H T 3 S+ 0 0 42 24,-3.6 -1,-0.2 23,-0.3 25,-0.2 0.752 92.9 135.8 38.4 41.7 45.1 20.9 36.6 188 217 A R < + 0 0 182 -3,-1.4 2,-0.2 23,-0.2 -1,-0.1 0.562 51.9 78.9 -89.1 -8.3 47.7 22.5 38.9 189 218 A L S S- 0 0 5 23,-1.2 -4,-0.0 -4,-0.1 3,-0.0 -0.580 72.5-128.9-105.2 161.1 50.1 19.5 38.5 190 219 A T > - 0 0 68 -2,-0.2 4,-2.4 23,-0.1 3,-0.4 -0.618 46.0 -98.7 -93.5 162.1 52.6 18.1 36.1 191 220 A P H > S+ 0 0 34 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.908 123.4 47.9 -50.2 -46.9 52.1 14.4 35.2 192 221 A I H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.862 111.5 50.7 -66.6 -31.4 54.7 13.1 37.6 193 222 A E H > S+ 0 0 54 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.896 111.1 48.2 -70.5 -39.4 53.4 15.3 40.4 194 223 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.865 109.1 54.2 -67.5 -35.4 49.9 13.9 39.8 195 224 A A H X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.947 109.1 48.4 -61.4 -46.5 51.3 10.4 39.8 196 225 A R H X S+ 0 0 94 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.934 112.7 47.8 -57.9 -49.1 52.8 11.2 43.2 197 226 A L H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.932 109.2 53.8 -59.4 -46.2 49.5 12.5 44.4 198 227 A G H < S+ 0 0 0 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.916 111.1 45.7 -55.3 -44.9 47.6 9.5 43.0 199 228 A K H >< S+ 0 0 112 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.909 110.0 54.1 -64.6 -44.3 49.9 7.1 44.9 200 229 A A H 3< S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 111.8 44.0 -62.9 -31.6 49.7 9.0 48.1 201 230 A V T >< S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.2 5,-0.4 0.450 82.2 101.4 -95.4 2.6 45.9 9.0 48.2 202 231 A E G X S+ 0 0 41 -3,-1.0 3,-1.6 -4,-0.5 -1,-0.2 0.866 75.6 59.5 -52.8 -39.6 45.6 5.3 47.3 203 232 A P G 3 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.751 102.2 54.9 -63.5 -20.3 44.9 4.3 50.9 204 233 A Y G < S- 0 0 57 -3,-1.8 -2,-0.2 -4,-0.1 -23,-0.2 0.441 100.2-138.8 -92.5 -0.6 41.8 6.5 50.9 205 234 A H < - 0 0 43 -3,-1.6 -24,-0.4 -4,-0.4 -3,-0.1 0.894 20.7-154.6 43.5 65.9 40.3 4.9 47.9 206 235 A L - 0 0 4 -5,-0.4 -24,-0.2 1,-0.1 3,-0.2 -0.348 20.9-134.3 -68.1 146.4 39.0 8.0 46.0 207 236 A F S S- 0 0 25 -26,-2.5 2,-0.3 1,-0.3 -25,-0.2 0.912 86.0 -28.6 -63.0 -43.1 36.0 7.6 43.6 208 237 A W E -j 182 0F 0 -27,-0.7 -25,-1.4 22,-0.0 2,-0.5 -0.977 45.0-136.6-168.3 162.5 38.2 9.7 41.3 209 238 A L E -jk 183 232F 0 22,-1.7 24,-1.9 -2,-0.3 3,-0.3 -0.992 38.9-160.5-123.5 111.1 40.9 12.3 41.0 210 239 A E E +jk 184 233F 2 -27,-2.7 -25,-2.4 -2,-0.5 -24,-0.4 -0.703 56.3 7.6-104.5 154.9 39.8 14.7 38.2 211 240 A D + 0 0 18 22,-1.6 -24,-3.6 -2,-0.3 -23,-0.2 0.895 68.4 165.5 49.9 50.3 41.6 17.3 36.1 212 241 A C + 0 0 3 21,-0.4 -23,-1.2 -3,-0.3 -1,-0.1 0.915 62.2 0.2 -60.1 -47.7 45.0 16.2 37.3 213 242 A V S S- 0 0 2 -25,-0.1 2,-0.3 -26,-0.1 -26,-0.1 -0.927 90.1 -80.1-141.7 163.8 46.9 18.0 34.5 214 243 A P - 0 0 50 0, 0.0 3,-0.3 0, 0.0 6,-0.1 -0.520 46.6-167.7 -65.2 128.2 46.3 20.1 31.5 215 244 A A + 0 0 8 -2,-0.3 6,-0.1 1,-0.2 5,-0.0 0.046 50.6 116.1-113.7 28.7 45.4 17.5 28.9 216 245 A E S S+ 0 0 22 1,-0.2 2,-0.8 2,-0.1 -1,-0.2 0.853 85.8 55.0 -60.6 -30.3 45.4 19.2 25.4 217 246 A N S > S- 0 0 42 -3,-0.3 3,-2.3 1,-0.1 -1,-0.2 -0.910 85.4-157.6-101.7 103.2 48.2 16.7 24.9 218 247 A Q G > S+ 0 0 10 -2,-0.8 3,-1.6 1,-0.3 4,-0.2 0.740 85.1 72.3 -56.3 -26.3 46.4 13.4 25.7 219 248 A E G > S+ 0 0 84 1,-0.3 3,-1.8 2,-0.2 4,-0.5 0.694 74.0 87.8 -63.5 -16.7 49.7 11.7 26.4 220 249 A S G < S+ 0 0 24 -3,-2.3 4,-0.4 1,-0.3 -1,-0.3 0.771 84.0 55.3 -54.0 -27.3 49.9 13.8 29.6 221 250 A L G <> S+ 0 0 4 -3,-1.6 4,-2.4 -4,-0.2 -1,-0.3 0.681 83.9 84.8 -82.4 -15.2 47.9 11.1 31.4 222 251 A R H <> S+ 0 0 97 -3,-1.8 4,-2.2 1,-0.2 5,-0.2 0.913 89.8 47.9 -51.5 -55.0 50.2 8.2 30.6 223 252 A L H > S+ 0 0 56 -4,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.838 112.0 50.6 -56.8 -37.5 52.7 8.8 33.5 224 253 A I H >> S+ 0 0 0 -4,-0.4 4,-1.4 -3,-0.2 3,-0.7 0.956 111.2 47.0 -67.0 -48.7 49.8 9.1 36.0 225 254 A R H 3< S+ 0 0 6 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.839 110.4 53.6 -62.6 -34.9 48.1 5.9 34.9 226 255 A E H 3< S+ 0 0 81 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.751 115.0 39.7 -74.1 -21.1 51.4 4.0 35.0 227 256 A H H << S+ 0 0 82 -4,-1.1 2,-0.3 -3,-0.7 -2,-0.2 0.565 113.5 39.9-107.2 -6.9 52.2 5.0 38.5 228 257 A T < - 0 0 0 -4,-1.4 -29,-0.1 -3,-0.1 -1,-0.1 -0.980 48.0-153.5-143.3 156.1 48.9 4.8 40.4 229 258 A T + 0 0 8 -2,-0.3 1047,-0.2 -31,-0.2 -4,-0.1 0.188 61.3 120.7-106.5 12.9 45.7 2.8 40.8 230 259 A T S S- 0 0 3 1,-0.1 -2,-0.1 1046,-0.0 -21,-0.1 -0.669 75.8-105.7 -76.6 128.8 43.6 5.8 42.0 231 260 A P - 0 0 24 0, 0.0 -22,-1.7 0, 0.0 2,-0.4 -0.273 36.3-145.6 -58.3 139.2 40.8 6.3 39.5 232 261 A L E -k 209 0F 0 -24,-0.2 22,-3.4 -3,-0.0 23,-1.4 -0.890 15.5-173.5-115.7 141.7 41.1 9.2 37.1 233 262 A A E +kl 210 255F 1 -24,-1.9 -22,-1.6 -2,-0.4 -21,-0.4 -0.975 14.9 158.3-130.6 142.9 38.5 11.5 35.5 234 263 A I E + l 0 256F 10 21,-1.9 23,-2.7 -2,-0.4 24,-0.4 -0.985 32.2 66.2-158.7 163.4 39.0 14.1 32.9 235 264 A G > + 0 0 0 -2,-0.3 3,-1.6 22,-0.2 51,-0.1 0.639 36.8 140.0 100.4 15.3 37.4 16.3 30.2 236 265 A E T 3 S+ 0 0 38 1,-0.3 26,-0.1 22,-0.2 50,-0.1 0.784 88.7 40.6 -60.8 -22.4 35.0 18.7 31.7 237 266 A V T 3 S+ 0 0 39 21,-0.1 -1,-0.3 559,-0.0 2,-0.1 0.314 88.7 117.4-108.2 8.1 36.3 21.2 29.2 238 267 A F < - 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