==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-MAY-00 1F2V . COMPND 2 MOLECULE: PRECORRIN-8X METHYLMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS DENITRIFICANS; . AUTHOR L.W.SHIPMAN,D.LI,C.A.ROESSNER,A.I.SCOTT,J.C.SACCHETTINI . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.9 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 . 19 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 0 1 0 0 1 2 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 2 A P 0 0 159 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.3 24.0 17.0 -23.8 2 3 A E - 0 0 173 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.838 360.0-147.6 -97.3 115.1 22.2 17.9 -20.5 3 4 A Y - 0 0 171 -2,-0.6 2,-0.7 2,-0.0 0, 0.0 -0.711 10.3-158.2 -86.9 126.5 24.4 17.9 -17.5 4 5 A D + 0 0 143 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.888 32.1 131.7-108.2 112.0 22.5 16.9 -14.4 5 6 A Y - 0 0 131 -2,-0.7 2,-0.4 0, 0.0 -2,-0.0 -0.992 63.9 -82.7-154.0 160.2 24.0 18.0 -11.1 6 7 A I - 0 0 52 -2,-0.3 -2,-0.0 1,-0.2 6,-0.0 -0.550 36.1-176.0 -69.1 123.6 23.1 19.6 -7.9 7 8 A R + 0 0 178 -2,-0.4 2,-0.6 5,-0.0 -1,-0.2 0.192 55.3 100.3-102.3 6.7 23.2 23.3 -8.6 8 9 A D > - 0 0 89 1,-0.2 4,-2.0 2,-0.0 -2,-0.1 -0.883 60.6-156.8-105.0 116.9 22.5 24.0 -5.0 9 10 A G H > S+ 0 0 49 -2,-0.6 4,-1.8 2,-0.2 5,-0.2 0.914 94.9 43.1 -52.9 -53.6 25.4 25.1 -2.8 10 11 A N H > S+ 0 0 120 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.877 111.8 55.3 -63.5 -38.5 23.9 24.0 0.5 11 12 A A H > S+ 0 0 21 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.882 105.6 53.9 -62.2 -36.7 22.6 20.8 -1.0 12 13 A I H X S+ 0 0 81 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.966 111.5 42.0 -64.3 -51.4 26.2 20.0 -2.1 13 14 A Y H X S+ 0 0 94 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.920 115.7 53.4 -59.3 -43.6 27.7 20.4 1.5 14 15 A E H X S+ 0 0 101 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.954 112.4 40.8 -57.3 -52.9 24.7 18.6 2.8 15 16 A R H X S+ 0 0 165 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.913 113.8 55.2 -65.2 -38.1 25.1 15.6 0.5 16 17 A S H X S+ 0 0 22 -4,-2.9 4,-2.7 -5,-0.3 -2,-0.2 0.947 111.5 42.0 -62.6 -42.5 28.9 15.6 0.9 17 18 A F H X S+ 0 0 21 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.885 113.9 52.8 -71.5 -33.4 28.7 15.4 4.7 18 19 A A H X S+ 0 0 62 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.937 112.0 46.5 -64.6 -42.4 26.0 12.8 4.5 19 20 A I H X S+ 0 0 89 -4,-3.0 4,-1.5 2,-0.2 5,-0.2 0.907 111.2 49.8 -64.7 -45.1 28.2 10.8 2.2 20 21 A I H X S+ 0 0 11 -4,-2.7 4,-3.1 1,-0.2 3,-0.5 0.934 111.7 50.1 -62.5 -39.2 31.3 11.1 4.4 21 22 A R H < S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.930 110.5 50.5 -63.9 -39.4 29.3 10.1 7.4 22 23 A A H < S+ 0 0 88 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.729 123.9 27.3 -72.4 -19.1 28.0 7.1 5.5 23 24 A E H < S+ 0 0 137 -4,-1.5 2,-0.4 -3,-0.5 -2,-0.2 0.647 99.4 92.0-115.8 -18.7 31.4 5.9 4.3 24 25 A A S < S- 0 0 10 -4,-3.1 2,-1.0 -5,-0.2 3,-0.1 -0.640 71.8-129.9 -87.4 130.4 33.9 7.1 7.0 25 26 A D + 0 0 100 -2,-0.4 3,-0.1 22,-0.2 -3,-0.1 -0.633 44.3 155.8 -71.9 105.4 34.9 5.0 9.9 26 27 A L > + 0 0 22 -2,-1.0 3,-2.2 -5,-0.2 -1,-0.2 0.495 33.2 105.7-113.8 -1.3 34.3 7.6 12.7 27 28 A S T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -3,-0.1 7,-0.1 0.739 73.0 58.4 -54.6 -31.5 33.8 5.3 15.7 28 29 A R T 3 S+ 0 0 134 -3,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.524 96.1 78.6 -80.5 -3.0 37.1 5.9 17.5 29 30 A F S < S- 0 0 18 -3,-2.2 2,-0.1 1,-0.1 -3,-0.0 -0.683 86.2-111.9-100.2 159.9 36.5 9.6 17.7 30 31 A S > - 0 0 50 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.304 41.0-100.6 -73.5 171.8 34.4 11.5 20.1 31 32 A E H > S+ 0 0 177 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.934 126.4 48.6 -60.6 -42.3 31.3 13.1 18.6 32 33 A E H > S+ 0 0 104 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.915 111.2 46.5 -64.6 -44.2 33.2 16.4 18.7 33 34 A E H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.848 105.5 61.6 -67.9 -32.7 36.3 15.0 17.1 34 35 A A H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.874 97.1 59.7 -62.8 -36.7 34.2 13.3 14.4 35 36 A D H X S+ 0 0 18 -4,-1.4 4,-2.1 1,-0.2 -1,-0.3 0.961 108.2 43.6 -54.2 -48.9 33.0 16.7 13.4 36 37 A L H X S+ 0 0 0 -4,-1.1 4,-3.0 1,-0.2 -2,-0.2 0.920 111.3 56.3 -62.4 -43.7 36.6 17.7 12.7 37 38 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.896 107.3 47.2 -51.3 -50.9 37.2 14.4 11.0 38 39 A V H X S+ 0 0 2 -4,-2.8 4,-3.6 2,-0.2 -1,-0.2 0.933 113.5 45.9 -62.3 -53.2 34.3 14.9 8.5 39 40 A R H X S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.925 114.0 51.0 -56.5 -42.6 35.3 18.4 7.5 40 41 A M H X S+ 0 0 2 -4,-3.0 4,-1.1 -5,-0.2 6,-0.2 0.899 112.9 44.3 -62.9 -39.1 38.8 17.2 7.2 41 42 A V H >X S+ 0 0 2 -4,-2.8 4,-2.3 -5,-0.2 3,-0.7 0.920 109.7 57.7 -70.2 -38.1 37.7 14.4 5.0 42 43 A H H 3< S+ 0 0 56 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.948 106.5 51.0 -55.4 -44.8 35.5 16.8 3.2 43 44 A A H 3< S+ 0 0 40 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.694 118.7 31.3 -67.9 -25.8 38.6 18.9 2.4 44 45 A C H << S- 0 0 61 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.596 95.5-130.6-110.9 -12.5 40.9 16.2 1.0 45 46 A G S < S+ 0 0 66 -4,-2.3 2,-0.7 -5,-0.2 -3,-0.1 0.526 71.0 117.5 77.3 8.2 38.2 14.0 -0.6 46 47 A S > - 0 0 51 -5,-0.4 3,-1.6 -6,-0.2 4,-0.3 -0.853 45.1-171.3-115.0 104.8 39.7 10.9 1.1 47 48 A V G > S+ 0 0 30 -2,-0.7 3,-1.1 1,-0.2 -22,-0.2 0.830 85.6 64.3 -61.4 -27.6 37.6 9.1 3.5 48 49 A E G > S+ 0 0 120 1,-0.2 3,-2.0 2,-0.1 4,-0.3 0.657 78.4 82.9 -69.8 -15.0 40.6 6.9 4.5 49 50 A A G X S+ 0 0 1 -3,-1.6 3,-2.7 1,-0.3 4,-0.4 0.782 73.6 77.3 -57.5 -29.5 42.5 9.9 5.9 50 51 A T G X S+ 0 0 5 -3,-1.1 3,-1.0 -4,-0.3 -1,-0.3 0.745 81.1 66.8 -53.7 -27.5 40.6 9.5 9.1 51 52 A R G < S+ 0 0 157 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.783 102.2 48.9 -67.3 -22.5 42.8 6.5 10.0 52 53 A Q G < S+ 0 0 67 -3,-2.7 136,-3.7 -4,-0.3 2,-0.4 0.468 85.1 108.3 -97.5 0.8 45.6 9.0 10.3 53 54 A F E < -A 187 0A 1 -3,-1.0 2,-0.4 -4,-0.4 134,-0.2 -0.597 43.1-177.8 -83.0 134.8 43.9 11.5 12.5 54 55 A V E -A 186 0A 44 132,-2.9 132,-2.9 -2,-0.4 2,-0.6 -0.977 5.1-174.8-133.4 118.7 45.1 11.8 16.1 55 56 A F E -A 185 0A 21 -2,-0.4 130,-0.3 130,-0.2 -22,-0.0 -0.959 25.2-131.1-112.7 119.5 43.5 14.1 18.6 56 57 A S > - 0 0 12 128,-3.1 3,-1.9 -2,-0.6 4,-0.4 -0.234 40.9 -91.6 -61.3 162.4 45.1 14.3 22.0 57 58 A P T 3 S+ 0 0 116 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.865 122.8 25.9 -44.4 -53.5 42.5 13.9 24.8 58 59 A D T 3> S+ 0 0 98 1,-0.1 4,-2.4 2,-0.1 5,-0.5 0.182 88.9 113.5-102.4 21.1 41.7 17.6 25.3 59 60 A F H <> S+ 0 0 0 -3,-1.9 4,-2.8 125,-0.2 5,-0.4 0.980 83.2 35.3 -56.7 -60.4 42.6 18.8 21.9 60 61 A V H > S+ 0 0 8 -4,-0.4 4,-2.8 2,-0.2 5,-0.3 0.912 119.7 49.1 -65.0 -38.2 39.2 19.8 20.7 61 62 A S H > S+ 0 0 55 -4,-0.3 4,-3.4 2,-0.2 5,-0.3 0.984 118.0 38.6 -62.5 -54.5 38.0 21.1 24.1 62 63 A S H X S+ 0 0 29 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.877 119.9 46.3 -64.2 -38.7 41.0 23.2 24.8 63 64 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.5 -1,-0.2 0.878 115.4 46.6 -71.9 -34.7 41.4 24.3 21.2 64 65 A R H X S+ 0 0 25 -4,-2.8 4,-2.7 -5,-0.4 5,-0.2 0.943 114.1 48.4 -72.1 -37.5 37.6 25.1 21.0 65 66 A A H X S+ 0 0 59 -4,-3.4 4,-2.3 -5,-0.3 6,-0.2 0.935 109.3 53.1 -64.2 -44.7 37.7 26.9 24.4 66 67 A A H <>S+ 0 0 10 -4,-2.3 5,-3.2 -5,-0.3 4,-0.4 0.913 112.6 44.5 -55.8 -44.9 40.8 28.9 23.3 67 68 A L H ><5S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 24,-0.4 0.864 112.5 49.7 -69.1 -40.1 38.9 30.0 20.1 68 69 A K H 3<5S+ 0 0 150 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.817 107.8 57.6 -67.8 -27.0 35.8 30.8 22.0 69 70 A A T 3<5S- 0 0 87 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.632 127.0-101.6 -77.8 -11.9 38.0 32.8 24.4 70 71 A G T < 5 + 0 0 34 -3,-0.9 24,-0.4 -4,-0.4 -3,-0.2 0.501 63.3 165.5 103.1 8.2 39.3 34.9 21.5 71 72 A A < - 0 0 12 -5,-3.2 -1,-0.2 -6,-0.2 20,-0.1 -0.286 36.2-119.0 -59.6 137.5 42.6 33.1 21.1 72 73 A P - 0 0 7 0, 0.0 59,-2.6 0, 0.0 2,-0.7 -0.320 16.4-126.6 -74.2 160.5 44.4 33.9 17.8 73 74 A I E -bc 95 131A 0 21,-3.5 23,-2.3 57,-0.2 2,-0.5 -0.956 21.1-156.8-107.9 111.9 45.1 31.1 15.3 74 75 A L E -bc 96 132A 0 57,-2.3 59,-3.5 -2,-0.7 2,-0.4 -0.826 14.7-166.4 -88.8 126.6 48.8 31.2 14.5 75 76 A C E -bc 97 133A 0 21,-3.6 23,-0.6 -2,-0.5 24,-0.4 -0.942 26.2-150.6-118.0 138.1 49.4 29.6 11.1 76 77 A D S S+ 0 0 1 57,-2.2 2,-0.3 -2,-0.4 58,-0.1 0.823 85.9 34.9 -71.6 -30.5 52.6 28.4 9.6 77 78 A A S >> S- 0 0 15 56,-0.3 4,-1.8 1,-0.1 3,-0.6 -0.949 72.2-130.6-129.3 148.0 51.2 29.0 6.0 78 79 A E H 3> S+ 0 0 73 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.880 105.6 65.6 -60.2 -37.7 48.9 31.5 4.4 79 80 A M H 3> S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 102.6 47.3 -53.0 -43.3 47.0 28.7 2.7 80 81 A V H X> S+ 0 0 0 -3,-0.6 4,-0.7 2,-0.2 3,-0.6 0.968 112.6 49.3 -61.4 -52.9 45.8 27.5 6.1 81 82 A A H >< S+ 0 0 8 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.885 110.6 51.4 -54.9 -38.6 44.9 31.1 7.0 82 83 A H H 3< S+ 0 0 136 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.812 104.5 56.3 -70.3 -27.5 43.0 31.4 3.7 83 84 A G H << S+ 0 0 32 -4,-1.7 2,-0.8 -3,-0.6 -1,-0.2 0.571 81.5 103.8 -81.0 -8.3 41.0 28.2 4.3 84 85 A V S << S- 0 0 5 -3,-0.9 2,-0.9 -4,-0.7 3,-0.1 -0.673 71.0-141.0 -79.9 110.9 39.7 29.6 7.6 85 86 A T >> - 0 0 66 -2,-0.8 3,-1.6 113,-0.2 4,-0.6 -0.636 13.5-159.7 -73.8 105.2 36.1 30.7 7.0 86 87 A R G >4 S+ 0 0 133 -2,-0.9 3,-1.4 1,-0.3 -1,-0.2 0.859 84.5 65.6 -58.6 -44.1 36.1 33.9 9.0 87 88 A A G 34 S+ 0 0 90 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.626 101.2 56.5 -55.9 -11.5 32.3 34.1 9.4 88 89 A R G <4 S+ 0 0 17 -3,-1.6 -1,-0.3 118,-0.0 -2,-0.2 0.782 78.1 105.8 -90.1 -32.1 32.8 30.9 11.4 89 90 A L << - 0 0 22 -3,-1.4 3,-0.3 -4,-0.6 -21,-0.1 -0.209 64.7-143.9 -51.3 139.7 35.2 32.1 14.0 90 91 A P S S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.808 86.1 22.4 -73.2 -38.8 33.5 32.6 17.4 91 92 A A S S- 0 0 42 -24,-0.4 3,-0.1 -20,-0.1 -2,-0.1 -0.358 113.1 -87.3-136.4 52.2 35.2 35.7 18.7 92 93 A G - 0 0 73 -3,-0.3 2,-0.1 1,-0.2 -5,-0.1 0.873 65.2-169.0 42.3 43.2 36.7 37.7 16.0 93 94 A N - 0 0 6 -7,-0.1 2,-0.2 -26,-0.1 -1,-0.2 -0.382 18.5-119.9 -62.6 141.3 39.7 35.5 16.4 94 95 A E - 0 0 107 -24,-0.4 -21,-3.5 -3,-0.1 2,-0.5 -0.592 14.7-151.8 -85.8 146.8 42.8 36.7 14.6 95 96 A V E -b 73 0A 21 -2,-0.2 2,-0.4 -23,-0.2 -21,-0.2 -0.967 23.1-175.0-123.1 103.2 44.3 34.4 11.9 96 97 A I E +b 74 0A 33 -23,-2.3 -21,-3.6 -2,-0.5 2,-0.4 -0.849 17.9 169.1-107.9 133.4 48.0 35.2 11.9 97 98 A C E -b 75 0A 26 -2,-0.4 3,-0.2 -23,-0.2 -21,-0.1 -0.978 6.7-179.2-139.8 131.0 50.5 33.9 9.5 98 99 A T > + 0 0 15 -23,-0.6 3,-1.5 -2,-0.4 6,-0.2 0.253 53.2 109.0-118.2 10.1 53.8 35.6 9.6 99 100 A L T 3 S+ 0 0 31 -24,-0.4 -1,-0.1 1,-0.3 20,-0.1 0.843 86.5 41.7 -55.3 -31.2 55.3 33.5 6.9 100 101 A R T 3 S+ 0 0 159 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.444 79.9 127.8-100.3 0.7 55.2 36.5 4.7 101 102 A D S X S- 0 0 44 -3,-1.5 3,-2.4 1,-0.2 -3,-0.1 -0.322 70.2-121.4 -54.6 132.8 56.3 39.0 7.1 102 103 A P T 3> S+ 0 0 116 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.750 109.0 58.3 -49.7 -28.3 59.2 40.9 5.4 103 104 A R H 3> S+ 0 0 148 1,-0.2 4,-2.4 2,-0.1 5,-0.2 0.575 83.7 86.4 -84.3 -0.5 61.6 40.0 8.3 104 105 A T H <> S+ 0 0 0 -3,-2.4 4,-2.9 2,-0.2 5,-0.2 0.937 86.2 46.2 -67.2 -45.9 61.1 36.4 7.9 105 106 A P H > S+ 0 0 51 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.945 112.8 53.0 -59.7 -48.3 63.7 35.7 5.2 106 107 A A H X S+ 0 0 55 -4,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.931 112.8 44.3 -48.5 -50.9 66.2 37.7 7.2 107 108 A L H X S+ 0 0 28 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.901 108.6 55.4 -64.3 -44.4 65.5 35.7 10.3 108 109 A A H X>S+ 0 0 9 -4,-2.9 5,-1.9 1,-0.2 4,-1.2 0.927 111.2 47.5 -57.8 -37.8 65.6 32.4 8.5 109 110 A A H <5S+ 0 0 80 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.912 112.2 46.1 -71.7 -40.9 69.0 33.4 7.3 110 111 A E H <5S+ 0 0 156 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 117.7 42.2 -68.5 -36.4 70.4 34.5 10.6 111 112 A I H <5S- 0 0 67 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.638 107.4-121.4 -85.2 -16.8 69.1 31.4 12.6 112 113 A G T <5S+ 0 0 68 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.990 74.3 102.9 70.2 61.0 70.0 28.9 9.9 113 114 A N S - 0 0 55 -2,-0.3 4,-3.1 1,-0.1 5,-0.3 -0.316 38.5-117.5 -73.3 162.0 63.5 27.7 7.0 115 116 A R H > S+ 0 0 139 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.925 117.7 55.2 -63.6 -40.0 61.3 30.7 6.5 116 117 A S H 4 S+ 0 0 24 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.909 114.4 40.8 -59.6 -40.7 58.4 28.8 7.8 117 118 A A H >4 S+ 0 0 0 2,-0.2 3,-2.2 1,-0.2 4,-0.3 0.972 113.8 49.9 -69.5 -55.7 60.4 28.1 11.0 118 119 A A H >X S+ 0 0 0 -4,-3.1 3,-2.7 1,-0.3 4,-0.5 0.840 99.3 68.4 -54.3 -37.5 62.0 31.5 11.5 119 120 A A G >< S+ 0 0 1 -4,-2.5 3,-1.8 -5,-0.3 -1,-0.3 0.819 87.2 68.0 -51.9 -32.4 58.6 33.1 11.1 120 121 A L G X> S+ 0 0 0 -3,-2.2 3,-1.4 -4,-0.5 4,-0.6 0.705 83.7 69.2 -69.3 -13.5 57.6 31.6 14.4 121 122 A K G X4 S+ 0 0 83 -3,-2.7 3,-0.9 -4,-0.3 -1,-0.3 0.873 96.0 57.8 -67.6 -26.1 60.1 33.9 16.1 122 123 A L G << S+ 0 0 36 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.490 91.4 70.0 -81.6 -1.1 57.5 36.5 15.1 123 124 A W G X> + 0 0 2 -3,-1.4 3,-2.2 -4,-0.2 4,-1.1 0.791 66.5 112.2 -81.8 -30.1 54.9 34.7 17.0 124 125 A S H XX S+ 0 0 73 -3,-0.9 3,-0.8 -4,-0.6 4,-0.5 0.592 77.2 40.7 -9.1 -77.6 56.4 35.6 20.4 125 126 A E H 34 S+ 0 0 178 1,-0.2 -1,-0.3 -3,-0.2 3,-0.2 0.866 123.5 40.6 -51.1 -40.0 53.7 37.9 21.8 126 127 A R H <4 S+ 0 0 88 -3,-2.2 -1,-0.2 -4,-0.2 4,-0.2 0.641 88.4 90.5 -86.0 -17.3 50.9 35.8 20.5 127 128 A L H X< + 0 0 1 -4,-1.1 3,-1.8 -3,-0.8 29,-0.2 0.862 64.7 90.9 -49.2 -49.1 52.2 32.3 21.3 128 129 A A T 3< S- 0 0 57 -4,-0.5 3,-0.1 1,-0.3 26,-0.1 -0.208 107.5 -7.7 -54.9 123.9 50.7 32.0 24.7 129 130 A G T 3 S+ 0 0 34 25,-2.8 -1,-0.3 1,-0.2 -2,-0.1 0.531 102.5 133.7 69.7 5.4 47.2 30.5 24.7 130 131 A S < - 0 0 0 -3,-1.8 26,-2.2 -4,-0.2 27,-1.8 -0.213 61.2-118.2 -82.1 176.2 47.0 30.5 21.0 131 132 A V E -cd 73 157A 0 -59,-2.6 -57,-2.3 25,-0.2 2,-0.5 -0.966 30.3-152.3-114.3 117.5 45.8 27.8 18.6 132 133 A V E -cd 74 158A 0 25,-3.1 27,-4.5 -2,-0.6 2,-0.6 -0.810 9.3-167.6 -95.4 127.9 48.7 26.9 16.4 133 134 A A E -cd 75 159A 0 -59,-3.5 -57,-2.2 -2,-0.5 2,-0.8 -0.960 6.8-179.8-116.1 110.2 47.9 25.5 13.0 134 135 A I E + d 0 160A 0 25,-3.1 27,-3.3 -2,-0.6 59,-0.2 -0.904 16.8 156.1-114.4 98.6 50.8 24.0 11.3 135 136 A G + 0 0 0 -2,-0.8 58,-0.6 25,-0.1 28,-0.4 0.573 69.7 8.4-100.1 -12.8 49.4 22.9 8.1 136 137 A N S S+ 0 0 72 26,-0.3 27,-0.4 57,-0.2 -2,-0.1 0.688 102.8 69.9-133.8 -53.3 52.4 22.8 5.9 137 138 A A > - 0 0 5 1,-0.2 4,-1.5 25,-0.1 3,-0.3 -0.647 43.9-168.9 -84.6 109.5 55.9 23.2 7.2 138 139 A P H > S+ 0 0 18 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.927 91.1 57.8 -60.6 -39.0 57.4 20.4 9.3 139 140 A T H > S+ 0 0 45 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.859 101.2 56.2 -61.2 -32.7 60.4 22.7 10.3 140 141 A A H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.947 109.3 47.9 -64.1 -38.7 57.9 25.2 11.7 141 142 A L H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.953 113.8 44.0 -67.2 -46.4 56.6 22.3 13.9 142 143 A F H X S+ 0 0 73 -4,-2.6 4,-2.8 1,-0.2 3,-0.2 0.929 113.7 52.5 -60.0 -43.2 60.1 21.2 15.0 143 144 A F H X S+ 0 0 19 -4,-3.1 4,-2.5 1,-0.3 -1,-0.2 0.858 106.2 52.4 -61.2 -39.3 61.0 24.9 15.6 144 145 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.3 0.836 109.3 50.6 -64.8 -36.9 57.9 25.3 17.8 145 146 A L H X S+ 0 0 13 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.936 109.3 50.2 -67.7 -46.2 59.0 22.3 19.8 146 147 A E H X S+ 0 0 78 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.946 112.0 48.5 -57.4 -43.5 62.5 23.8 20.2 147 148 A M H <>S+ 0 0 30 -4,-2.5 5,-3.0 1,-0.2 -2,-0.2 0.942 113.0 47.6 -62.2 -43.9 60.8 27.1 21.4 148 149 A L H ><5S+ 0 0 4 -4,-2.6 3,-1.4 3,-0.2 -1,-0.2 0.941 112.0 49.0 -60.1 -43.5 58.7 25.2 23.8 149 150 A R H 3<5S+ 0 0 130 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.921 108.2 55.4 -58.9 -45.8 61.6 23.2 25.1 150 151 A D T 3<5S- 0 0 112 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.078 131.8 -87.3 -78.5 18.3 63.7 26.3 25.6 151 152 A G T < 5 + 0 0 63 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.549 69.7 159.0 90.7 10.9 61.0 27.9 27.8 152 153 A A < - 0 0 17 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.1 -0.227 52.5 -93.7 -63.7 154.2 58.7 29.6 25.3 153 154 A P - 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 -0.454 50.5-106.1 -67.9 151.3 55.1 30.3 26.6 154 155 A K - 0 0 109 -3,-0.1 -25,-2.8 -2,-0.1 -24,-0.1 -0.542 19.2-131.7 -90.6 139.1 52.7 27.6 25.7 155 156 A P - 0 0 6 0, 0.0 -24,-0.2 0, 0.0 -27,-0.1 -0.364 22.4-124.5 -73.5 159.2 49.9 27.6 23.0 156 157 A A S S- 0 0 27 -26,-2.2 2,-0.3 1,-0.3 -25,-0.2 0.815 90.9 -1.7 -74.8 -31.7 46.5 26.4 24.2 157 158 A A E -d 131 0A 0 -27,-1.8 -25,-3.1 25,-0.1 2,-0.5 -0.988 61.9-147.5-158.4 147.8 46.5 23.8 21.3 158 159 A I E -de 132 184A 0 25,-2.1 27,-1.7 -2,-0.3 2,-1.0 -0.969 3.4-157.4-122.9 119.0 48.7 22.8 18.4 159 160 A L E -de 133 185A 0 -27,-4.5 -25,-3.1 -2,-0.5 2,-1.1 -0.834 16.0-169.5 -89.8 102.5 47.3 21.4 15.1 160 161 A G E +de 134 186A 0 25,-3.1 27,-1.0 -2,-1.0 -25,-0.1 -0.751 34.7 132.1 -97.0 89.3 50.4 19.6 13.9 161 162 A M + 0 0 2 -27,-3.3 32,-2.7 -2,-1.1 36,-0.2 -0.211 16.0 154.5-132.0 37.9 49.4 18.7 10.3 162 163 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -26,-0.3 -0.461 35.3-141.8 -66.6 147.6 52.3 19.7 8.1 163 164 A V + 0 0 52 -27,-0.4 2,-0.2 -28,-0.4 28,-0.2 -0.756 45.2 88.7-103.2 157.7 52.1 17.5 5.0 164 165 A G S S- 0 0 16 26,-2.5 5,-0.3 -2,-0.3 3,-0.1 -0.726 71.4-102.9 143.0 170.0 55.2 16.2 3.4 165 166 A F S S+ 0 0 154 -2,-0.2 2,-0.6 1,-0.2 -1,-0.1 0.557 98.0 65.5-103.9 -16.1 57.9 13.6 2.9 166 167 A V S S- 0 0 126 -3,-0.1 -1,-0.2 24,-0.1 -3,-0.0 -0.844 126.3 -27.4-116.2 96.8 60.7 15.4 4.8 167 168 A G S > S+ 0 0 12 -2,-0.6 4,-2.9 -3,-0.1 5,-0.3 0.262 104.7 110.0 89.6 -15.0 60.2 15.9 8.5 168 169 A A H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.961 84.1 37.1 -59.4 -56.8 56.5 15.9 8.3 169 170 A A H > S+ 0 0 25 -5,-0.3 4,-2.1 1,-0.2 5,-0.2 0.964 120.5 47.0 -64.1 -47.1 56.0 12.5 10.0 170 171 A E H > S+ 0 0 97 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.883 109.7 51.7 -63.2 -37.9 58.8 13.0 12.5 171 172 A S H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.907 112.6 46.8 -65.3 -39.0 57.9 16.5 13.5 172 173 A K H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.859 112.7 50.4 -70.9 -30.7 54.4 15.2 14.2 173 174 A D H X S+ 0 0 66 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.883 108.5 51.4 -70.6 -41.6 55.8 12.3 16.0 174 175 A A H X S+ 0 0 21 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.931 109.4 52.0 -62.2 -41.8 58.0 14.6 18.1 175 176 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.941 110.9 45.9 -57.8 -49.5 54.9 16.6 18.9 176 177 A A H < S+ 0 0 34 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.788 109.8 55.8 -64.9 -32.1 53.0 13.5 20.0 177 178 A E H < S- 0 0 160 -4,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.892 133.9 -8.6 -66.4 -43.3 56.0 12.3 22.1 178 179 A N < + 0 0 81 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.1 -0.785 56.9 173.7-159.1 101.6 56.2 15.5 24.2 179 180 A S > - 0 0 12 -3,-0.3 3,-1.0 -2,-0.3 -4,-0.1 0.122 59.4-109.7 -99.0 23.8 54.2 18.5 23.2 180 181 A Y T 3 S- 0 0 61 1,-0.2 -2,-0.0 -5,-0.1 -5,-0.0 0.906 78.0 -48.9 52.7 43.2 55.5 20.2 26.4 181 182 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.2 -27,-0.0 -27,-0.0 0.649 105.2 129.9 76.3 15.8 52.0 19.9 27.9 182 183 A V < - 0 0 4 -3,-1.0 -1,-0.2 -25,-0.0 -25,-0.1 -0.890 61.6-117.6-110.8 129.5 49.9 21.2 25.0 183 184 A P - 0 0 26 0, 0.0 -25,-2.1 0, 0.0 2,-0.3 -0.250 44.6-176.3 -52.9 149.3 46.9 19.4 23.6 184 185 A F E - e 0 158A 28 -27,-0.2 -128,-3.1 -25,-0.1 2,-0.3 -0.945 26.6-156.8-147.1 169.2 47.6 18.5 20.0 185 186 A A E +Ae 55 159A 2 -27,-1.7 -25,-3.1 -2,-0.3 2,-0.3 -0.975 20.8 178.2-147.8 132.7 46.0 17.0 16.9 186 187 A I E -Ae 54 160A 1 -132,-2.9 -132,-2.9 -2,-0.3 2,-0.6 -0.909 32.5-135.2-134.4 165.2 48.0 15.5 14.2 187 188 A V E -A 53 0A 1 -27,-1.0 -134,-0.2 -2,-0.3 -15,-0.1 -0.986 43.3-126.9-116.3 111.1 47.5 13.8 11.0 188 189 A R > + 0 0 67 -136,-3.7 3,-0.8 -2,-0.6 -136,-0.1 0.001 65.2 0.5 -55.4 160.6 50.0 10.9 11.2 189 190 A G T 3 S- 0 0 23 1,-0.2 -2,-0.1 -20,-0.2 -17,-0.1 -0.201 121.2 -30.0 62.5-145.8 52.5 10.2 8.5 190 191 A R T 3 S+ 0 0 144 -27,-0.1 -26,-2.5 -22,-0.1 -1,-0.2 0.627 106.7 98.6 -87.0 -15.1 52.8 12.4 5.4 191 192 A L < + 0 0 69 -3,-0.8 2,-0.3 -28,-0.2 -4,-0.2 -0.260 45.7 88.0 -71.3 158.9 49.2 13.5 5.1 192 193 A G + 0 0 15 -29,-0.1 4,-0.3 -6,-0.1 -29,-0.2 -0.975 39.3 160.9 149.1-145.2 48.1 16.9 6.3 193 194 A G > - 0 0 11 -32,-2.7 4,-2.5 -58,-0.6 -57,-0.2 -0.297 55.9 -75.4 114.6 159.8 48.1 20.1 4.4 194 195 A S H > S+ 0 0 16 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.849 121.5 55.2 -67.3 -33.1 46.5 23.4 4.7 195 196 A A H > S+ 0 0 57 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.963 113.7 41.5 -64.2 -48.9 43.0 22.4 3.4 196 197 A M H > S+ 0 0 7 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.936 116.4 50.6 -63.3 -43.5 42.6 19.7 6.0 197 198 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.965 112.9 45.0 -60.0 -52.9 44.2 22.0 8.7 198 199 A A H X S+ 0 0 2 -4,-3.4 4,-3.7 1,-0.2 -1,-0.2 0.887 111.6 54.0 -57.5 -40.7 41.8 24.9 7.8 199 200 A A H X S+ 0 0 7 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.928 108.8 49.3 -58.8 -43.4 38.9 22.4 7.7 200 201 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.934 112.5 46.3 -58.6 -49.3 40.0 21.3 11.2 201 202 A L H X S+ 0 0 1 -4,-2.7 4,-4.1 2,-0.2 -2,-0.2 0.946 110.0 55.5 -59.4 -45.1 40.1 25.0 12.3 202 203 A N H X S+ 0 0 10 -4,-3.7 4,-2.5 1,-0.2 -2,-0.2 0.898 111.7 42.3 -56.3 -41.5 36.7 25.6 10.6 203 204 A S H < S+ 0 0 0 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.916 113.1 52.0 -73.0 -45.8 35.1 22.8 12.6 204 205 A L H < S+ 0 0 0 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.968 110.9 51.2 -53.7 -47.1 36.9 23.8 15.8 205 206 A A H < S- 0 0 10 -4,-4.1 -2,-0.2 1,-0.3 -1,-0.2 0.944 135.2 -3.2 -55.5 -53.7 35.5 27.3 15.1 206 207 A R S < S- 0 0 108 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.910 77.8-133.4-145.1 114.3 31.9 26.1 14.6 207 208 A P + 0 0 68 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.295 67.3 13.8 -68.7 150.3 30.9 22.5 14.7 208 209 A G 0 0 23 1,-0.2 -2,-0.1 0, 0.0 -169,-0.0 -0.319 360.0 360.0 85.3-167.8 28.5 20.9 12.1 209 210 A L 0 0 112 -2,-0.1 -1,-0.2 -195,-0.0 -3,-0.0 0.783 360.0 360.0 -54.7 360.0 27.5 22.4 8.7