==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 09-APR-13 4K2N . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE/CARNITHINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MAGNETOSPIRILLUM MAGNETICUM; . AUTHOR S.ESWARAMOORTHY,S.CHAMALA,B.EVANS,F.FOTI,A.GIZZI,B.HILLERICH . 267 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14048.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 11 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 1 0 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 2 0 1 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 1 0 0 0 1 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 1 0 0 1 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 -8 A G > 0 0 86 0, 0.0 3,-2.9 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 150.7 42.5 49.2 4.6 2 -7 A T G >> + 0 0 134 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.788 360.0 76.1 -41.4 -38.4 42.1 48.3 8.4 3 -6 A E G 34 S+ 0 0 90 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.686 92.0 56.5 -45.8 -23.1 38.8 46.7 7.4 4 -5 A N G <> S+ 0 0 23 -3,-2.9 4,-2.9 1,-0.1 -1,-0.3 0.680 85.9 76.9 -88.9 -20.1 41.0 43.9 6.0 5 -4 A L T <4 S+ 0 0 129 -3,-1.8 -2,-0.1 -4,-0.3 -1,-0.1 0.923 98.3 42.3 -62.4 -47.5 42.9 42.9 9.2 6 -3 A Y T < S+ 0 0 149 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.841 121.7 45.1 -61.6 -30.7 40.1 41.0 10.9 7 -2 A F T 4 S+ 0 0 9 -4,-0.3 -2,-0.2 11,-0.1 -1,-0.2 0.850 91.0 92.8 -88.0 -39.2 39.2 39.4 7.6 8 -1 A Q < - 0 0 78 -4,-2.9 2,-0.3 10,-0.1 9,-0.2 -0.069 43.8-175.8 -69.4 158.6 42.5 38.3 6.1 9 0 A S B A 16 0A 68 7,-1.7 7,-2.6 3,-0.0 -3,-0.0 -0.930 360.0 360.0-152.0 123.3 44.2 35.0 6.3 10 1 A X 0 0 92 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.922 360.0 360.0-117.6 360.0 47.6 34.2 4.8 11 ! 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 12 3 A D 0 0 158 0, 0.0 28,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -53.7 49.0 29.9 4.3 13 4 A V + 0 0 27 1,-0.1 15,-2.7 -3,-0.1 2,-0.5 0.628 360.0 51.0 -86.6 -20.4 48.5 28.3 1.0 14 5 A I E S- B 0 27A 9 13,-0.2 2,-0.4 25,-0.1 13,-0.2 -0.994 79.2-159.8-111.9 119.3 45.1 29.9 0.4 15 6 A Q E - B 0 26A 46 11,-2.3 11,-2.6 -2,-0.5 2,-0.4 -0.842 3.4-163.3 -98.5 143.4 45.2 33.7 1.0 16 7 A L E +AB 9 25A 4 -7,-2.6 -7,-1.7 -2,-0.4 2,-0.3 -0.996 17.1 160.7-129.0 134.6 42.0 35.6 1.7 17 8 A V E - B 0 24A 35 7,-1.8 7,-2.7 -2,-0.4 2,-0.3 -0.929 19.7-150.5-150.3 153.8 41.8 39.4 1.4 18 9 A R E - B 0 23A 15 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.990 13.1-175.1-137.9 147.0 39.1 42.1 1.1 19 10 A E E > S- B 0 22A 127 3,-2.2 3,-2.0 -2,-0.3 2,-0.1 -0.918 73.0 -55.4-136.4 104.2 38.7 45.5 -0.5 20 11 A G T 3 S- 0 0 29 -2,-0.4 -1,-0.1 1,-0.3 36,-0.0 -0.375 123.0 -13.2 58.4-127.8 35.3 46.9 0.4 21 12 A A T 3 S+ 0 0 28 36,-0.1 37,-2.9 -3,-0.1 38,-1.6 0.349 118.5 93.7 -86.2 6.0 32.6 44.5 -0.7 22 13 A I E < -Bc 19 59A 37 -3,-2.0 -3,-2.2 35,-0.2 2,-0.4 -0.890 56.1-163.9-107.7 116.0 35.0 42.4 -2.8 23 14 A A E -Bc 18 60A 0 36,-2.8 38,-2.8 -2,-0.6 2,-0.4 -0.797 5.1-158.0 -90.6 139.4 36.7 39.3 -1.4 24 15 A T E -Bc 17 61A 18 -7,-2.7 -7,-1.8 -2,-0.4 2,-0.5 -0.989 4.2-166.9-117.2 125.6 39.8 37.8 -3.2 25 16 A V E -Bc 16 62A 0 36,-3.1 38,-2.8 -2,-0.4 2,-0.5 -0.961 12.6-163.4-109.9 121.5 40.8 34.2 -2.6 26 17 A T E -Bc 15 63A 17 -11,-2.6 -11,-2.3 -2,-0.5 2,-0.6 -0.931 17.4-140.8-116.0 125.8 44.2 33.5 -4.0 27 18 A L E -Bc 14 64A 0 36,-3.1 38,-2.7 -2,-0.5 2,-0.4 -0.771 30.3-173.9 -79.7 120.9 45.7 30.0 -4.7 28 19 A N + 0 0 45 -15,-2.7 3,-0.1 -2,-0.6 36,-0.0 -0.685 38.3 117.9-136.2 79.1 49.3 30.4 -3.6 29 20 A R > > + 0 0 34 -2,-0.4 5,-2.5 1,-0.1 3,-1.9 -0.699 26.6 169.1-127.9 79.0 51.9 27.7 -4.1 30 21 A P G > 5S+ 0 0 99 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.897 72.9 64.6 -60.1 -38.9 54.4 29.5 -6.3 31 22 A D G 3 5S+ 0 0 135 1,-0.3 -3,-0.0 2,-0.1 -2,-0.0 0.514 116.9 28.2 -59.6 -7.2 56.9 26.7 -5.9 32 23 A R G X 5S- 0 0 72 -3,-1.9 3,-1.6 3,-0.0 -1,-0.3 0.084 113.2-103.5-145.6 25.3 54.5 24.3 -7.6 33 24 A X T < 5S- 0 0 98 -3,-1.6 -2,-0.1 1,-0.3 31,-0.0 0.702 76.8 -63.6 58.2 25.2 52.4 26.5 -10.0 34 25 A N T 3 - 0 0 17 -2,-0.9 4,-2.4 37,-0.2 3,-0.4 -0.531 51.9 -93.1-102.6 175.9 47.0 19.6 -2.6 38 29 A L H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.876 124.7 56.6 -58.5 -42.1 45.0 18.6 0.4 39 30 A P H > S+ 0 0 62 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.889 109.5 47.2 -54.5 -38.8 46.1 21.7 2.3 40 31 A X H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.904 109.4 52.2 -70.0 -43.3 44.7 23.8 -0.5 41 32 A W H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.931 113.9 44.6 -57.3 -44.8 41.5 21.9 -0.6 42 33 A R H X S+ 0 0 121 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.922 112.5 50.8 -64.2 -46.1 41.1 22.5 3.2 43 34 A G H X S+ 0 0 13 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.847 108.4 53.8 -59.4 -35.4 42.1 26.1 2.9 44 35 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.948 107.6 49.1 -64.7 -49.7 39.5 26.6 0.1 45 36 A A H X S+ 0 0 10 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.908 113.1 48.9 -53.9 -43.7 36.7 25.2 2.2 46 37 A E H X S+ 0 0 122 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.917 111.4 47.6 -67.2 -45.9 37.8 27.5 5.1 47 38 A A H X S+ 0 0 6 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.929 113.5 47.1 -61.4 -44.9 38.0 30.7 3.0 48 39 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.823 110.1 53.0 -72.7 -28.2 34.6 30.1 1.4 49 40 A E H X S+ 0 0 90 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.949 110.5 48.4 -64.6 -45.9 33.0 29.4 4.7 50 41 A T H >< S+ 0 0 67 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.958 115.4 43.9 -57.1 -52.4 34.3 32.6 6.1 51 42 A I H >< S+ 0 0 0 -4,-2.7 3,-2.3 1,-0.2 6,-0.2 0.915 108.6 56.8 -56.4 -47.1 33.1 34.5 3.0 52 43 A S H 3< S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.754 109.4 47.9 -63.5 -21.8 29.7 32.7 3.1 53 44 A A T << S+ 0 0 87 -4,-1.4 2,-0.5 -3,-0.7 -1,-0.3 0.066 94.2 85.2-103.5 19.2 29.2 34.0 6.7 54 45 A D X - 0 0 26 -3,-2.3 3,-1.7 1,-0.1 -1,-0.1 -0.891 53.1-173.3-125.1 100.8 30.2 37.6 5.9 55 46 A R T 3 S+ 0 0 134 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.557 80.8 71.1 -70.6 -10.8 27.3 39.7 4.7 56 47 A S T 3 S+ 0 0 49 -5,-0.1 2,-0.5 -36,-0.0 -1,-0.3 0.464 83.7 84.1 -82.7 -3.4 29.6 42.7 4.0 57 48 A I < + 0 0 0 -3,-1.7 -35,-0.2 -6,-0.2 -36,-0.1 -0.889 48.8 170.0 -97.8 126.9 31.1 40.7 1.0 58 49 A H + 0 0 33 -37,-2.9 2,-0.3 -2,-0.5 -36,-0.2 0.573 64.6 20.9-109.3 -17.8 29.1 40.9 -2.2 59 50 A V E -c 22 0A 0 -38,-1.6 -36,-2.8 49,-0.2 2,-0.4 -0.988 61.7-148.9-152.6 148.7 31.4 39.3 -4.7 60 51 A V E -cd 23 110A 0 49,-2.2 51,-3.3 -2,-0.3 2,-0.5 -0.980 2.1-157.7-120.7 135.6 34.4 36.9 -4.7 61 52 A I E -cd 24 111A 13 -38,-2.8 -36,-3.1 -2,-0.4 2,-0.5 -0.966 11.9-164.7-106.2 122.4 37.3 36.8 -7.0 62 53 A L E +cd 25 112A 0 49,-3.2 51,-2.6 -2,-0.5 2,-0.3 -0.960 27.1 144.4-109.3 124.1 39.0 33.4 -7.0 63 54 A R E -cd 26 113A 47 -38,-2.8 -36,-3.1 -2,-0.5 2,-0.3 -0.951 50.1-101.8-151.3 162.9 42.5 33.4 -8.6 64 55 A G E -c 27 0A 1 49,-0.6 -36,-0.2 -2,-0.3 2,-0.1 -0.689 54.5 -94.7 -84.1 153.5 46.0 32.0 -8.7 65 56 A A S >> S- 0 0 26 -38,-2.7 3,-0.6 -2,-0.3 4,-0.5 -0.425 90.8 -9.6 -64.2 138.8 48.7 34.3 -7.1 66 57 A G T 34 S- 0 0 45 1,-0.2 -2,-0.2 2,-0.1 49,-0.1 -0.235 102.3 -67.3 66.4-155.8 50.4 36.4 -9.8 67 58 A T T 34 S+ 0 0 81 1,-0.1 -1,-0.2 47,-0.0 49,-0.1 0.087 107.6 83.3-123.5 20.4 49.8 35.8 -13.4 68 59 A K T <4 S- 0 0 168 -3,-0.6 2,-0.3 1,-0.3 -2,-0.1 0.805 96.6 -2.2-100.5 -33.8 51.4 32.4 -14.2 69 60 A A < - 0 0 3 -4,-0.5 -1,-0.3 47,-0.2 47,-0.2 -0.994 30.8-162.4-152.7 152.3 48.7 29.9 -13.2 70 61 A F S S- 0 0 0 47,-2.0 48,-0.2 -2,-0.3 -5,-0.2 0.819 87.6 -50.3 -83.1 -72.8 45.3 29.4 -11.8 71 62 A A B -h 118 0C 0 46,-1.7 48,-2.4 -7,-0.1 -37,-0.2 -0.843 41.4-151.9-163.4 133.0 45.9 25.8 -11.0 72 63 A P - 0 0 44 0, 0.0 2,-0.3 0, 0.0 46,-0.1 0.427 65.6 -76.5 -88.1 1.5 47.3 23.1 -13.4 73 64 A G S S- 0 0 9 -39,-0.2 -37,-2.8 47,-0.2 47,-0.1 -0.841 72.0 -27.6 140.2-172.2 45.5 20.2 -11.6 74 65 A A B S-g 36 0B 31 -2,-0.3 2,-0.6 -39,-0.2 -37,-0.2 -0.425 73.8 -94.0 -70.3 148.6 45.7 18.1 -8.5 75 66 A D > - 0 0 7 -39,-2.5 3,-1.0 1,-0.2 4,-0.3 -0.534 32.7-163.9 -71.4 112.4 49.1 17.5 -6.9 76 67 A I G > S+ 0 0 90 -2,-0.6 3,-1.8 1,-0.2 4,-0.5 0.805 82.6 71.6 -68.1 -30.5 50.4 14.2 -8.4 77 68 A E G 3 S+ 0 0 146 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.754 94.3 55.6 -58.6 -24.6 53.0 13.9 -5.6 78 69 A E G X> S+ 0 0 23 -3,-1.0 4,-3.1 1,-0.2 3,-0.6 0.652 86.5 83.5 -75.6 -18.8 50.2 13.1 -3.1 79 70 A F H <> S+ 0 0 36 -3,-1.8 4,-1.5 -4,-0.3 -1,-0.2 0.836 84.1 53.8 -64.2 -37.2 48.9 10.2 -5.2 80 71 A D H 34 S+ 0 0 146 -4,-0.5 -1,-0.2 -3,-0.3 4,-0.1 0.835 123.8 25.1 -66.3 -34.1 51.3 7.5 -3.9 81 72 A T H <4 S+ 0 0 95 -3,-0.6 -2,-0.2 -4,-0.3 -1,-0.2 0.758 135.8 26.0-102.4 -31.4 50.5 8.1 -0.2 82 73 A L H < S+ 0 0 77 -4,-3.1 10,-0.2 1,-0.1 -3,-0.2 0.356 130.3 29.1-122.2 7.0 47.0 9.6 -0.2 83 74 A R S < S+ 0 0 54 -4,-1.5 -4,-0.1 -5,-0.4 -3,-0.1 0.017 75.1 119.0-150.9 34.7 45.3 8.3 -3.4 84 75 A A S S+ 0 0 63 -6,-0.2 2,-0.3 -4,-0.1 -4,-0.1 0.499 79.3 18.8 -87.2 -4.8 46.9 4.9 -4.2 85 76 A N S > S- 0 0 81 1,-0.1 4,-3.1 -3,-0.0 5,-0.3 -0.972 89.4 -89.1-156.0 171.8 43.6 2.9 -3.9 86 77 A A H > S+ 0 0 65 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.864 122.0 47.8 -52.5 -43.7 39.8 3.2 -3.9 87 78 A E H > S+ 0 0 160 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.937 115.2 43.0 -68.1 -47.9 39.6 3.7 -0.1 88 79 A Q H > S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.915 113.8 52.8 -61.5 -43.9 42.3 6.4 0.0 89 80 A A H X S+ 0 0 20 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.899 108.6 49.6 -61.0 -42.5 40.9 8.1 -3.1 90 81 A K H X S+ 0 0 146 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.860 111.4 49.3 -62.5 -37.7 37.4 8.3 -1.7 91 82 A A H X S+ 0 0 57 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.883 110.7 50.0 -70.3 -40.4 38.7 9.8 1.5 92 83 A Y H >X S+ 0 0 8 -4,-2.5 4,-2.4 -10,-0.2 3,-0.6 0.928 108.1 54.7 -55.8 -46.8 40.7 12.4 -0.5 93 84 A D H 3X S+ 0 0 17 -4,-2.2 4,-3.5 1,-0.3 5,-0.2 0.787 98.1 62.2 -66.7 -29.5 37.6 13.2 -2.5 94 85 A L H 3X S+ 0 0 130 -4,-1.4 4,-1.4 2,-0.2 -1,-0.3 0.915 109.9 41.5 -55.1 -44.0 35.6 14.0 0.7 95 86 A V H < S+ 0 0 0 -4,-2.4 3,-1.3 2,-0.2 -2,-0.2 0.959 113.7 46.9 -66.7 -50.4 32.5 27.1 -3.4 104 95 A R H 3< S+ 0 0 60 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.870 114.1 48.7 -56.4 -40.4 29.3 26.0 -5.3 105 96 A A T 3< S+ 0 0 75 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.475 77.4 128.5 -82.6 -2.2 27.1 26.9 -2.3 106 97 A C < - 0 0 1 -3,-1.3 4,-0.1 -4,-0.3 -57,-0.1 -0.366 54.6-147.4 -55.8 121.6 28.8 30.3 -1.8 107 98 A P S S+ 0 0 38 0, 0.0 114,-0.2 0, 0.0 -1,-0.2 0.882 76.9 70.5 -64.0 -37.0 25.7 32.7 -1.6 108 99 A Q S S- 0 0 1 1,-0.1 -49,-0.2 113,-0.1 2,-0.1 -0.372 100.3 -90.8 -74.3 157.7 27.6 35.5 -3.2 109 100 A P - 0 0 16 0, 0.0 -49,-2.2 0, 0.0 2,-0.5 -0.469 41.0-151.2 -65.0 140.0 28.6 35.6 -6.9 110 101 A V E -d 60 0A 1 -51,-0.2 21,-1.8 -2,-0.1 20,-1.4 -0.975 6.9-161.8-121.9 125.9 32.1 34.1 -7.6 111 102 A I E -de 61 131A 0 -51,-3.3 -49,-3.2 -2,-0.5 2,-0.6 -0.920 9.1-149.7-105.3 122.4 34.3 35.1 -10.4 112 103 A A E -de 62 132A 0 19,-3.3 21,-2.7 -2,-0.5 2,-0.6 -0.843 12.2-162.1 -84.8 123.2 37.2 32.8 -11.5 113 104 A A E -de 63 133A 0 -51,-2.6 -49,-0.6 -2,-0.6 2,-0.5 -0.943 13.3-161.1-110.6 112.5 40.0 35.0 -12.9 114 105 A I E + e 0 134A 0 19,-2.9 21,-2.8 -2,-0.6 2,-0.4 -0.813 23.4 166.7-108.7 125.0 42.3 32.9 -14.9 115 106 A W - 0 0 9 -2,-0.5 -45,-0.1 2,-0.2 -47,-0.1 -0.982 66.8 -16.9-120.1 143.2 45.9 33.5 -16.0 116 107 A G S S+ 0 0 2 -2,-0.4 23,-1.9 -47,-0.2 -47,-0.2 -0.195 117.0 14.1 63.2-152.3 47.9 30.5 -17.4 117 108 A P E + i 0 139C 22 0, 0.0 -47,-2.0 0, 0.0 -46,-1.7 -0.279 45.6 173.7 -69.6 136.9 46.8 27.0 -16.8 118 109 A C E +hi 71 140C 0 21,-3.7 23,-1.0 -48,-0.2 2,-0.3 -0.791 36.3 150.2-131.8 84.2 43.3 26.1 -15.5 119 110 A V E > - 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0 0 91 -6,-0.4 2,-0.5 -5,-0.1 -34,-0.4 -0.450 41.5-129.5 -79.1 149.3 43.9 18.4 -25.2 177 168 A I - 0 0 65 -36,-0.1 2,-0.3 -2,-0.1 -36,-0.2 -0.881 29.3-159.0 -96.1 127.2 44.9 21.6 -23.7 178 169 A X E -J 140 0C 4 -38,-3.3 -38,-2.2 -2,-0.5 2,-0.1 -0.749 14.1-118.9-105.8 152.7 43.1 24.6 -25.3 179 170 A D E > -J 139 0C 82 -2,-0.3 4,-2.6 -40,-0.2 -40,-0.2 -0.325 41.4 -93.4 -77.3 171.8 44.0 28.3 -25.5 180 171 A A H > S+ 0 0 0 -42,-0.8 4,-2.9 -44,-0.7 5,-0.2 0.895 123.0 49.6 -55.1 -46.6 41.7 30.9 -24.0 181 172 A D H > S+ 0 0 77 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.908 111.8 48.0 -63.9 -43.3 39.8 31.7 -27.2 182 173 A E H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 111.4 50.9 -62.4 -41.4 39.2 28.1 -27.9 183 174 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 6,-0.7 0.944 112.0 47.2 -62.0 -43.2 38.0 27.6 -24.3 184 175 A A H ><5S+ 0 0 23 -4,-2.9 3,-2.2 1,-0.2 -2,-0.2 0.944 109.4 53.9 -61.3 -45.5 35.6 30.6 -24.7 185 176 A A H 3<5S+ 0 0 76 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.860 109.1 48.9 -56.7 -36.1 34.5 29.1 -28.0 186 177 A K T 3<5S- 0 0 63 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.335 118.5-113.9 -84.8 5.8 33.7 25.9 -26.1 187 178 A R T < 5S+ 0 0 166 -3,-2.2 -3,-0.2 2,-0.2 -2,-0.1 0.677 87.1 115.0 71.5 19.6 31.7 27.9 -23.4 188 179 A L S > - 0 0 110 -2,-0.3 3,-2.2 -59,-0.2 4,-0.7 -0.263 42.4-115.7 -61.0 143.7 44.5 40.7 -23.3 195 186 A D G >4 S+ 0 0 80 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.844 117.7 50.1 -47.2 -40.6 47.0 39.9 -20.5 196 187 A D G 34 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.555 111.0 48.7 -81.3 -9.1 47.6 43.6 -19.9 197 188 A A G <> S+ 0 0 42 -3,-2.2 4,-1.8 2,-0.1 -1,-0.2 0.331 87.8 90.3-103.0 1.0 43.8 44.4 -19.7 198 189 A X H S+ 0 0 109 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.927 114.2 45.0 -60.6 -41.6 43.4 43.5 -14.0 200 191 A A H > S+ 0 0 68 2,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.844 113.0 49.9 -69.0 -35.7 41.0 46.2 -15.3 201 192 A E H X S+ 0 0 38 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.911 111.4 48.1 -72.1 -42.0 38.4 43.7 -16.6 202 193 A V H X S+ 0 0 10 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.942 113.4 48.6 -60.9 -48.0 38.3 41.7 -13.4 203 194 A A H X S+ 0 0 57 -4,-2.1 4,-3.0 -5,-0.3 -2,-0.2 0.933 112.9 46.7 -58.8 -47.9 38.0 45.0 -11.4 204 195 A A H X S+ 0 0 41 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.879 113.6 49.0 -63.0 -39.5 35.2 46.3 -13.6 205 196 A T H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.944 113.8 45.5 -64.9 -48.3 33.4 42.9 -13.5 206 197 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.921 113.0 51.4 -61.9 -42.6 33.6 42.7 -9.7 207 198 A K H X S+ 0 0 154 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.917 108.4 50.9 -59.4 -47.2 32.5 46.4 -9.4 208 199 A R H X S+ 0 0 133 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.926 113.9 44.2 -55.6 -51.7 29.4 45.8 -11.6 209 200 A I H >< S+ 0 0 28 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.922 113.5 49.8 -61.4 -46.8 28.3 42.8 -9.6 210 201 A A H 3< S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.797 106.5 56.4 -63.8 -31.6 29.0 44.5 -6.2 211 202 A A H 3< S+ 0 0 59 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.716 94.2 88.9 -73.2 -22.8 27.0 47.6 -7.3 212 203 A G S << S- 0 0 24 -4,-1.0 53,-0.1 -3,-0.8 -3,-0.0 -0.283 102.6 -76.4 -69.3 160.7 24.0 45.4 -8.0 213 204 A A > - 0 0 25 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.442 42.2-146.5 -61.0 119.3 21.4 44.6 -5.3 214 205 A P H > S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.874 94.8 46.8 -60.4 -42.2 23.1 41.9 -3.1 215 206 A L H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.863 111.4 52.2 -71.1 -33.9 20.0 40.0 -2.2 216 207 A A H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.909 109.6 49.5 -63.2 -46.5 18.8 39.9 -5.8 217 208 A N H X S+ 0 0 40 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.935 113.2 47.4 -55.4 -48.3 22.2 38.5 -6.8 218 209 A R H X S+ 0 0 45 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.890 113.0 47.9 -60.9 -43.8 21.9 35.9 -4.1 219 210 A W H X S+ 0 0 44 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.943 111.0 50.0 -63.7 -47.7 18.4 34.9 -5.1 220 211 A H H X S+ 0 0 113 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.905 111.9 48.1 -60.0 -42.9 19.1 34.7 -8.8 221 212 A K H X S+ 0 0 32 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.949 114.3 46.1 -62.4 -48.9 22.1 32.4 -8.1 222 213 A A H X S+ 0 0 51 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.928 113.9 48.6 -58.8 -45.2 20.1 30.2 -5.8 223 214 A F H X S+ 0 0 51 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.926 111.9 47.6 -66.5 -42.8 17.1 30.0 -8.2 224 215 A I H < S+ 0 0 116 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.906 112.1 50.7 -65.4 -36.6 19.3 29.1 -11.2 225 216 A A H >< S+ 0 0 52 -4,-2.3 3,-2.0 -5,-0.2 4,-0.4 0.939 106.0 55.3 -63.7 -46.3 21.1 26.5 -9.1 226 217 A R H >< S+ 0 0 50 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.848 97.5 65.4 -53.7 -34.5 17.8 25.0 -8.1 227 218 A L T 3< S+ 0 0 119 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.670 82.7 74.8 -68.2 -14.0 16.9 24.6 -11.8 228 219 A D T < S+ 0 0 100 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.839 86.0 75.3 -56.7 -33.4 19.7 22.1 -12.2 229 220 A D S < S- 0 0 72 -3,-1.5 -1,-0.1 -4,-0.4 0, 0.0 -0.744 78.6-149.7 -86.7 115.8 17.3 19.7 -10.3 230 221 A P + 0 0 123 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.634 61.9 115.4 -66.6 -14.4 14.5 18.6 -12.7 231 222 A T S S- 0 0 80 1,-0.1 -2,-0.1 3,-0.0 3,-0.1 -0.339 79.9-104.8 -51.8 128.7 11.9 18.3 -9.9 232 223 A P - 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.213 37.4-101.7 -62.5 152.2 9.3 20.8 -10.6 233 224 A V - 0 0 67 -3,-0.1 2,-0.1 1,-0.1 -6,-0.0 -0.611 38.3-131.7 -76.2 132.4 9.3 23.9 -8.4 234 225 A S > - 0 0 56 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.285 21.5-108.0 -80.0 166.9 6.7 23.9 -5.6 235 226 A E H > S+ 0 0 161 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.912 122.5 49.1 -60.6 -41.9 4.4 26.7 -4.7 236 227 A A H > S+ 0 0 64 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.881 109.8 50.7 -66.3 -39.8 6.4 27.4 -1.5 237 228 A E H >4 S+ 0 0 72 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.939 109.7 52.0 -61.3 -42.2 9.6 27.4 -3.5 238 229 A L H >< S+ 0 0 82 -4,-2.6 3,-1.5 1,-0.2 4,-0.2 0.816 97.1 66.3 -65.5 -35.5 8.0 29.9 -5.9 239 230 A D H >< S+ 0 0 79 -4,-1.8 3,-2.0 1,-0.2 4,-0.4 0.808 88.4 68.7 -52.1 -33.4 7.0 32.3 -3.1 240 231 A E G X< S+ 0 0 74 -3,-1.0 3,-1.2 -4,-0.8 4,-0.3 0.804 86.4 67.6 -59.9 -26.9 10.6 33.0 -2.5 241 232 A C G < S+ 0 0 47 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.593 101.5 47.9 -69.4 -12.8 10.8 34.8 -5.8 242 233 A Y G X S+ 0 0 139 -3,-2.0 3,-1.2 -4,-0.2 4,-0.3 0.440 81.4 92.6-108.3 1.1 8.5 37.5 -4.3 243 234 A R G X S+ 0 0 131 -3,-1.2 3,-1.7 -4,-0.4 -2,-0.1 0.776 72.1 74.0 -64.8 -26.3 10.3 38.2 -1.0 244 235 A F G > S+ 0 0 77 -4,-0.3 3,-2.0 1,-0.3 6,-0.4 0.808 82.2 69.8 -56.8 -31.8 12.4 41.0 -2.6 245 236 A L G < S+ 0 0 81 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.766 96.9 50.8 -63.1 -24.3 9.4 43.2 -2.6 246 237 A D G < S+ 0 0 156 -3,-1.7 -1,-0.3 -4,-0.3 2,-0.2 0.205 90.8 106.9 -96.9 16.0 9.5 43.5 1.2 247 238 A T S <> S- 0 0 25 -3,-2.0 4,-1.3 1,-0.1 3,-0.1 -0.630 72.8-131.8 -95.6 153.9 13.2 44.5 1.4 248 239 A K H > S+ 0 0 145 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.847 108.9 61.1 -61.1 -35.8 14.7 47.9 2.1 249 240 A D H > S+ 0 0 5 19,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.838 99.6 53.4 -66.0 -35.8 16.9 47.4 -0.9 250 241 A Y H > S+ 0 0 87 -6,-0.4 4,-2.3 2,-0.2 5,-0.2 0.923 109.9 47.0 -61.1 -46.3 13.9 47.2 -3.3 251 242 A A H X S+ 0 0 63 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.917 115.0 47.4 -62.9 -40.8 12.5 50.5 -2.0 252 243 A E H X S+ 0 0 43 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.888 108.5 55.0 -66.4 -40.3 16.0 52.0 -2.4 253 244 A G H X S+ 0 0 21 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.952 113.2 41.7 -57.4 -50.1 16.5 50.6 -5.9 254 245 A L H X S+ 0 0 59 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.927 115.9 48.9 -65.3 -44.3 13.3 52.2 -7.1 255 246 A A H X S+ 0 0 42 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.922 113.4 46.4 -63.9 -44.6 13.9 55.5 -5.3 256 247 A A H X>S+ 0 0 0 -4,-3.0 5,-2.4 2,-0.2 4,-0.7 0.933 112.2 51.2 -61.3 -47.4 17.5 55.8 -6.6 257 248 A F H ><5S+ 0 0 170 -4,-2.3 3,-1.2 -5,-0.3 -2,-0.2 0.953 113.9 43.9 -52.4 -52.9 16.3 54.9 -10.1 258 249 A R H 3<5S+ 0 0 174 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.864 114.4 48.8 -63.2 -38.6 13.6 57.6 -10.0 259 250 A A H 3<5S- 0 0 62 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.460 110.4-123.7 -82.6 0.1 15.9 60.2 -8.4 260 251 A K T <<5S+ 0 0 189 -3,-1.2 2,-0.3 -4,-0.7 -3,-0.2 0.899 70.0 123.2 57.2 44.9 18.6 59.4 -11.1 261 252 A R S