==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 11-MAY-12 4AU1 . COMPND 2 MOLECULE: PRECORRIN-8X METHYLMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER CAPSULATUS; . AUTHOR E.DEERY,A.D.LAWRENCE,S.SCHROEDER,S.L.TAYLOR,A.SEYEDARABI,J.V . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.7 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 . 12 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 36.1 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 1 1 1 0 1 0 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 0 161 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.6 22.7 30.6 9.7 2 3 A H - 0 0 174 1,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.517 360.0-144.9 -68.6 134.9 19.4 28.8 10.4 3 4 A E + 0 0 165 -2,-0.2 2,-0.3 2,-0.0 -1,-0.0 -0.826 32.4 148.9-101.3 142.2 17.3 28.3 7.2 4 5 A Y - 0 0 161 -2,-0.4 2,-0.4 0, 0.0 0, 0.0 -0.971 52.7 -77.4-164.6 163.7 13.5 28.4 7.5 5 6 A E + 0 0 76 -2,-0.3 -2,-0.0 1,-0.1 6,-0.0 -0.585 39.7 178.3 -74.2 127.1 10.4 29.3 5.5 6 7 A K + 0 0 151 -2,-0.4 2,-0.9 1,-0.0 -1,-0.1 0.404 48.9 99.2-109.6 -6.9 10.0 33.2 5.5 7 8 A D > - 0 0 84 1,-0.2 4,-2.3 2,-0.1 5,-0.1 -0.804 51.3-169.2 -90.4 104.1 6.8 33.6 3.3 8 9 A G H > S+ 0 0 41 -2,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.863 85.7 52.6 -58.2 -43.6 3.9 34.1 5.8 9 10 A A H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.932 112.7 46.9 -61.7 -40.5 1.1 33.7 3.2 10 11 A K H > S+ 0 0 92 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.879 107.9 54.9 -64.8 -45.0 2.7 30.4 2.2 11 12 A I H X S+ 0 0 75 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.913 107.8 50.9 -56.9 -43.9 3.1 29.2 5.9 12 13 A Y H X S+ 0 0 98 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.943 111.6 47.0 -58.0 -50.1 -0.7 29.8 6.4 13 14 A V H X S+ 0 0 103 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.914 114.3 46.7 -59.2 -44.7 -1.5 27.7 3.3 14 15 A Q H X S+ 0 0 91 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.875 111.5 51.8 -65.4 -40.7 0.8 24.9 4.3 15 16 A S H X S+ 0 0 36 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.943 111.4 46.2 -60.9 -49.5 -0.6 24.9 7.9 16 17 A F H X S+ 0 0 8 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.856 112.7 50.5 -64.4 -36.5 -4.2 24.7 6.7 17 18 A A H X S+ 0 0 58 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.908 109.8 50.0 -67.8 -40.0 -3.3 21.9 4.2 18 19 A T H X S+ 0 0 75 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.944 112.1 48.8 -62.2 -44.7 -1.5 19.9 7.0 19 20 A I H >X S+ 0 0 10 -4,-2.5 4,-2.9 1,-0.2 3,-0.6 0.932 111.4 48.4 -61.2 -45.2 -4.5 20.3 9.3 20 21 A R H 3< S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.855 109.9 53.3 -67.8 -28.8 -7.0 19.1 6.5 21 22 A A H 3< S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.763 122.2 28.2 -74.7 -23.2 -4.8 16.1 5.8 22 23 A E H << S+ 0 0 128 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.695 100.2 92.6-106.1 -32.6 -4.7 14.9 9.5 23 24 A A S < S- 0 0 18 -4,-2.9 2,-1.0 -5,-0.2 3,-0.1 -0.320 70.4-127.5 -76.4 158.3 -8.0 16.1 11.1 24 25 A D + 0 0 104 1,-0.2 3,-0.2 -2,-0.1 -1,-0.1 -0.771 52.7 143.1-102.7 82.0 -11.4 14.4 11.4 25 26 A L > + 0 0 19 -2,-1.0 3,-1.8 -5,-0.2 -1,-0.2 0.380 25.6 109.4-108.6 3.3 -13.6 17.1 9.9 26 27 A A T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -3,-0.1 7,-0.1 0.742 73.4 59.6 -54.1 -33.6 -16.3 15.2 8.0 27 28 A R T 3 S+ 0 0 135 -3,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.603 87.8 92.5 -74.4 -14.0 -19.2 16.0 10.4 28 29 A F S < S- 0 0 19 -3,-1.8 -3,-0.0 1,-0.1 0, 0.0 -0.640 77.0-123.7 -86.9 142.9 -18.9 19.8 9.9 29 30 A T > - 0 0 61 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.304 39.1 -98.6 -68.3 164.3 -20.8 21.7 7.3 30 31 A P H > S+ 0 0 99 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.886 126.4 48.6 -54.6 -38.6 -18.6 23.8 4.9 31 32 A E H > S+ 0 0 80 1,-0.2 4,-0.9 2,-0.2 -3,-0.0 0.871 115.6 43.7 -69.9 -36.1 -19.2 27.0 7.0 32 33 A E H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.885 106.6 61.5 -73.7 -39.7 -18.4 25.2 10.3 33 34 A E H X S+ 0 0 38 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.868 100.6 52.8 -56.7 -42.1 -15.3 23.4 8.8 34 35 A V H X S+ 0 0 40 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.896 110.7 48.0 -64.3 -35.9 -13.5 26.7 8.0 35 36 A V H X S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.2 -2,-0.2 0.931 111.7 49.2 -68.4 -45.8 -13.9 27.8 11.6 36 37 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.908 108.7 52.9 -62.5 -43.6 -12.7 24.5 13.0 37 38 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.913 110.3 47.5 -57.2 -43.0 -9.6 24.5 10.8 38 39 A R H X S+ 0 0 11 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.887 111.1 51.4 -68.3 -35.4 -8.7 28.0 12.0 39 40 A M H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.921 110.8 48.0 -64.3 -43.8 -9.2 26.9 15.7 40 41 A I H X>S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 5,-1.4 0.925 110.7 53.0 -61.0 -44.8 -6.9 23.8 15.2 41 42 A H H <5S+ 0 0 53 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.921 109.7 47.3 -54.5 -48.0 -4.4 26.1 13.6 42 43 A A H <5S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.845 117.0 43.3 -64.1 -35.5 -4.4 28.5 16.6 43 44 A A H <5S- 0 0 37 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.600 96.1-135.7 -83.3 -20.4 -4.1 25.6 19.1 44 45 A G T <5 + 0 0 73 -4,-1.6 2,-0.4 -3,-0.4 -3,-0.2 0.842 68.3 120.2 64.3 32.5 -1.4 23.7 17.2 45 46 A M > < - 0 0 69 -5,-1.4 3,-1.9 -6,-0.2 2,-0.3 -0.785 51.0-164.6-141.3 95.5 -3.5 20.6 18.0 46 47 A V T 3 S+ 0 0 56 -2,-0.4 -23,-0.0 1,-0.2 -27,-0.0 -0.584 88.0 53.0 -68.8 136.3 -5.1 18.2 15.6 47 48 A G T > S+ 0 0 21 -2,-0.3 3,-1.8 -23,-0.0 4,-0.3 -0.098 77.1 99.0 119.4 -28.2 -7.6 16.4 17.8 48 49 A L G X S+ 0 0 0 -3,-1.9 3,-2.3 1,-0.3 4,-0.5 0.843 71.9 69.8 -54.4 -34.7 -9.2 19.7 19.0 49 50 A E G > S+ 0 0 5 1,-0.3 3,-0.8 -4,-0.2 -1,-0.3 0.750 83.9 67.7 -59.5 -25.0 -11.9 19.0 16.5 50 51 A N G < S+ 0 0 96 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.659 104.1 45.9 -68.3 -12.6 -13.3 16.1 18.5 51 52 A H G < S+ 0 0 74 -3,-2.3 136,-3.3 -4,-0.3 2,-0.3 0.515 87.9 106.1-104.5 -8.7 -14.3 18.7 21.1 52 53 A V E < +A 186 0A 0 -3,-0.8 2,-0.4 -4,-0.5 134,-0.2 -0.569 42.2 177.2 -82.9 133.0 -15.9 21.3 18.9 53 54 A R E -A 185 0A 114 132,-2.4 132,-2.6 -2,-0.3 2,-0.4 -0.999 6.2-169.7-134.7 134.4 -19.7 21.6 18.9 54 55 A F E -A 184 0A 23 -2,-0.4 130,-0.2 130,-0.2 3,-0.1 -0.944 26.8-120.8-119.8 146.9 -21.9 24.2 17.0 55 56 A A > - 0 0 4 128,-3.0 3,-2.2 -2,-0.4 4,-0.4 -0.570 54.9 -88.1 -72.6 143.5 -25.6 25.0 17.2 56 57 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 127,-0.1 -0.312 114.0 10.9 -53.6 131.0 -27.1 24.3 13.7 57 58 A G T 3> S+ 0 0 40 -3,-0.1 4,-2.7 125,-0.1 5,-0.2 0.332 90.6 120.2 81.9 -5.3 -26.8 27.5 11.7 58 59 A M H <> S+ 0 0 0 -3,-2.2 4,-3.0 125,-0.2 5,-0.3 0.915 73.1 49.4 -57.0 -49.7 -24.4 29.3 14.1 59 60 A A H > S+ 0 0 4 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.911 114.7 45.3 -61.0 -39.2 -21.5 29.8 11.7 60 61 A I H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.941 115.7 47.4 -66.9 -44.1 -23.8 31.2 9.0 61 62 A A H X S+ 0 0 36 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.882 112.1 48.1 -65.1 -43.2 -25.6 33.5 11.5 62 63 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.908 111.4 50.0 -67.7 -41.1 -22.4 34.8 13.1 63 64 A R H X S+ 0 0 22 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.938 111.2 50.1 -62.5 -43.0 -20.8 35.6 9.7 64 65 A A H X S+ 0 0 56 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.900 109.7 50.6 -61.7 -38.5 -24.0 37.5 8.7 65 66 A A H <>S+ 0 0 16 -4,-2.2 5,-2.5 2,-0.2 3,-0.3 0.929 111.5 47.4 -65.4 -43.0 -24.0 39.5 11.9 66 67 A L H ><5S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.923 110.6 51.8 -65.2 -39.2 -20.3 40.5 11.4 67 68 A E H 3<5S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 105.9 56.1 -67.0 -22.9 -21.1 41.5 7.8 68 69 A A T 3<5S- 0 0 89 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.347 128.5 -98.5 -86.8 0.6 -24.0 43.6 9.1 69 70 A G T < 5 + 0 0 33 -3,-1.8 24,-0.4 1,-0.2 -3,-0.2 0.582 60.6 170.9 93.4 15.1 -21.5 45.5 11.3 70 71 A A < - 0 0 11 -5,-2.5 -1,-0.2 -6,-0.2 20,-0.1 -0.277 33.2-119.8 -56.3 139.7 -22.1 43.7 14.7 71 72 A P - 0 0 21 0, 0.0 59,-2.8 0, 0.0 2,-0.6 -0.373 19.2-128.7 -74.0 160.8 -19.7 44.6 17.5 72 73 A I E -bc 94 130A 0 21,-2.7 23,-3.0 57,-0.2 2,-0.5 -0.959 18.0-155.7-114.1 117.6 -17.5 41.8 19.0 73 74 A L E -bc 95 131A 0 57,-2.2 59,-3.3 -2,-0.6 2,-0.4 -0.870 13.7-166.1-102.3 122.2 -17.7 41.7 22.8 74 75 A C E - c 0 132A 0 21,-3.1 23,-0.4 -2,-0.5 24,-0.3 -0.895 24.1-149.7-117.5 137.3 -14.7 40.1 24.4 75 76 A D S S+ 0 0 4 57,-1.7 2,-0.3 -2,-0.4 58,-0.1 0.694 83.1 25.5 -75.7 -21.6 -14.1 38.8 27.9 76 77 A A S >> S- 0 0 10 56,-0.3 4,-2.1 1,-0.1 3,-0.8 -0.978 74.5-118.2-143.0 155.6 -10.4 39.6 28.0 77 78 A R H 3> S+ 0 0 133 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.767 112.0 63.7 -63.5 -31.4 -7.8 41.8 26.3 78 79 A M H 3> S+ 0 0 144 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.884 108.6 43.1 -61.4 -32.0 -5.9 38.8 24.8 79 80 A V H X> S+ 0 0 0 -3,-0.8 4,-1.1 2,-0.2 3,-0.7 0.964 116.4 44.3 -76.5 -55.5 -9.2 38.2 22.8 80 81 A S H >< S+ 0 0 5 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.902 116.4 47.6 -57.7 -39.3 -9.9 41.8 21.8 81 82 A E H 3< S+ 0 0 110 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.702 107.8 57.7 -76.2 -17.8 -6.2 42.4 20.9 82 83 A G H << S+ 0 0 30 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.668 77.7 104.4 -82.8 -24.3 -6.0 39.2 18.9 83 84 A I S << S- 0 0 4 -4,-1.1 2,-0.8 -3,-0.5 3,-0.1 -0.449 77.3-124.1 -65.7 131.6 -8.8 40.0 16.5 84 85 A T > - 0 0 54 113,-0.2 3,-1.5 1,-0.2 4,-0.5 -0.720 16.9-160.8 -83.1 108.4 -7.3 40.9 13.1 85 86 A R G > S+ 0 0 115 -2,-0.8 3,-1.5 1,-0.3 -1,-0.2 0.867 89.3 61.2 -56.8 -36.7 -8.7 44.4 12.2 86 87 A A G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.669 101.5 53.2 -64.2 -22.8 -7.8 43.8 8.5 87 88 A R G < S+ 0 0 30 -3,-1.5 -1,-0.3 118,-0.1 -2,-0.2 0.539 82.1 112.5 -89.2 -9.2 -10.2 40.8 8.4 88 89 A L < - 0 0 27 -3,-1.5 3,-0.4 -4,-0.5 117,-0.1 -0.468 54.2-158.4 -71.0 128.3 -13.2 42.8 9.8 89 90 A P S S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.729 81.3 24.0 -79.8 -25.3 -15.9 43.2 7.1 90 91 A A S S- 0 0 36 -24,-0.2 3,-0.2 -20,-0.1 -2,-0.0 -0.212 112.2 -89.3-141.8 48.2 -17.8 46.2 8.3 91 92 A K - 0 0 203 -3,-0.4 2,-0.1 1,-0.2 -6,-0.0 0.862 63.0-166.1 49.2 39.9 -15.5 48.4 10.6 92 93 A N - 0 0 9 -7,-0.1 2,-0.3 1,-0.1 -1,-0.2 -0.337 18.1-121.6 -61.6 135.0 -16.8 46.2 13.5 93 94 A E - 0 0 105 -24,-0.4 -21,-2.7 -3,-0.2 2,-0.6 -0.609 19.1-151.0 -75.9 138.9 -16.1 47.6 17.0 94 95 A V E -b 72 0A 28 -2,-0.3 2,-0.4 -23,-0.2 -21,-0.2 -0.957 22.4-171.3-113.0 114.2 -14.0 45.2 19.1 95 96 A I E +b 73 0A 28 -23,-3.0 -21,-3.1 -2,-0.6 2,-0.3 -0.889 23.8 170.7-117.7 142.0 -14.9 45.8 22.8 96 97 A C - 0 0 30 -2,-0.4 3,-0.2 -23,-0.2 -21,-0.1 -0.964 4.6-179.1-142.6 121.7 -13.5 44.6 26.1 97 98 A T > + 0 0 20 -23,-0.4 3,-1.8 -2,-0.3 6,-0.2 0.322 54.7 105.4-103.0 5.4 -14.8 46.2 29.3 98 99 A L T 3 S+ 0 0 36 -24,-0.3 -1,-0.1 1,-0.3 20,-0.1 0.797 82.2 45.7 -52.9 -41.1 -12.7 44.3 31.7 99 100 A Q T 3 S+ 0 0 108 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.281 78.1 130.4 -89.9 6.3 -10.3 47.2 32.5 100 101 A D X - 0 0 35 -3,-1.8 3,-2.0 1,-0.1 -3,-0.1 -0.406 66.0-126.8 -59.4 134.7 -13.1 49.8 32.9 101 102 A P T 3 S+ 0 0 118 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.688 106.9 59.7 -61.6 -16.3 -12.3 51.6 36.3 102 103 A R T 3> S+ 0 0 162 1,-0.2 4,-1.9 2,-0.1 5,-0.1 0.600 86.3 82.4 -82.7 -14.3 -15.8 50.9 37.6 103 104 A V H <> S+ 0 0 0 -3,-2.0 4,-2.7 2,-0.2 5,-0.2 0.887 82.2 54.9 -63.6 -45.9 -15.3 47.0 37.3 104 105 A P H > S+ 0 0 45 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.939 114.7 40.3 -57.7 -44.4 -13.4 46.3 40.6 105 106 A A H > S+ 0 0 56 -4,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.875 113.9 53.4 -72.4 -34.7 -16.1 47.9 42.8 106 107 A L H X S+ 0 0 45 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.916 108.8 50.0 -65.2 -39.1 -18.9 46.4 40.7 107 108 A A H X>S+ 0 0 6 -4,-2.7 5,-2.2 2,-0.2 4,-1.3 0.921 110.9 49.7 -64.2 -41.5 -17.4 42.9 41.1 108 109 A Q H <5S+ 0 0 165 -4,-2.0 3,-0.5 -5,-0.2 -2,-0.2 0.936 113.0 46.2 -62.4 -46.8 -17.2 43.5 44.9 109 110 A E H <5S+ 0 0 152 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.852 116.8 44.7 -62.3 -38.1 -20.9 44.7 45.0 110 111 A M H <5S- 0 0 66 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.608 104.6-128.7 -80.4 -17.8 -22.0 41.8 42.9 111 112 A G T <5S+ 0 0 70 -4,-1.3 2,-0.2 -3,-0.5 -3,-0.2 0.893 73.1 108.2 67.6 38.7 -19.9 39.2 44.8 112 113 A N S - 0 0 54 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.384 38.1-116.8 -74.7 163.1 -15.3 38.1 39.4 114 115 A R H > S+ 0 0 145 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.865 116.8 58.4 -65.7 -35.2 -14.1 41.2 37.6 115 116 A S H > S+ 0 0 26 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.904 111.7 39.5 -62.1 -42.1 -14.6 39.1 34.3 116 117 A A H >4 S+ 0 0 0 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.913 113.6 53.0 -74.1 -44.9 -18.3 38.5 35.0 117 118 A A H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 4,-0.5 0.871 99.9 63.4 -59.9 -35.5 -19.0 42.0 36.4 118 119 A A H >< S+ 0 0 3 -4,-2.1 3,-1.2 1,-0.3 4,-0.3 0.803 88.6 70.6 -60.2 -27.8 -17.6 43.6 33.3 119 120 A L G X< S+ 0 0 1 -3,-1.1 3,-1.5 -4,-0.6 4,-0.4 0.743 83.6 69.6 -61.9 -23.4 -20.3 42.0 31.2 120 121 A E G X S+ 0 0 47 -3,-1.8 3,-1.3 -4,-0.4 -1,-0.3 0.892 94.6 56.3 -61.5 -33.4 -22.9 44.4 32.8 121 122 A L G < S+ 0 0 57 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.576 92.7 70.5 -73.1 -9.1 -21.2 47.1 30.8 122 123 A W G X> S+ 0 0 1 -3,-1.5 3,-2.1 -4,-0.3 4,-1.2 0.658 70.7 97.3 -78.1 -16.5 -21.8 45.2 27.5 123 124 A R H X> S+ 0 0 82 -3,-1.3 3,-0.9 -4,-0.4 4,-0.5 0.846 78.8 51.0 -43.0 -47.8 -25.6 45.9 27.8 124 125 A P H 34 S+ 0 0 116 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.721 122.0 32.8 -66.9 -17.4 -25.6 48.9 25.4 125 126 A K H <4 S+ 0 0 81 -3,-2.1 -2,-0.2 -4,-0.2 -3,-0.1 0.406 95.5 91.6-112.5 -3.0 -23.8 46.9 22.7 126 127 A L H X< + 0 0 0 -4,-1.2 3,-2.2 -3,-0.9 2,-0.3 0.820 55.7 96.6 -69.2 -35.2 -25.2 43.4 23.4 127 128 A E T 3< S- 0 0 135 -4,-0.5 29,-0.0 1,-0.3 25,-0.0 -0.409 109.7 -6.0 -62.1 117.9 -28.2 43.4 21.0 128 129 A G T 3 S+ 0 0 28 26,-2.5 -1,-0.3 -2,-0.3 -2,-0.1 0.521 103.0 142.7 76.6 5.3 -27.1 41.6 17.8 129 130 A A < - 0 0 0 -3,-2.2 27,-2.1 -59,-0.1 28,-1.5 -0.288 55.0-124.5 -72.3 162.9 -23.4 41.4 19.0 130 131 A V E -cd 72 157A 0 -59,-2.8 -57,-2.2 26,-0.2 2,-0.4 -0.953 29.6-148.9-103.9 116.4 -21.0 38.5 18.4 131 132 A V E -cd 73 158A 0 26,-2.7 28,-3.2 -2,-0.6 2,-0.5 -0.774 12.7-169.4 -89.0 136.9 -19.8 37.5 21.9 132 133 A A E +cd 74 159A 0 -59,-3.3 -57,-1.7 -2,-0.4 2,-0.7 -0.917 9.3 173.5-130.8 98.2 -16.3 36.0 22.2 133 134 A I E + d 0 160A 0 26,-2.8 28,-2.4 -2,-0.5 59,-0.2 -0.929 13.7 151.1-108.7 107.2 -15.5 34.5 25.6 134 135 A G + 0 0 0 -2,-0.7 29,-0.5 26,-0.1 58,-0.2 0.477 69.8 26.3-113.6 -4.9 -12.2 32.8 25.6 135 136 A N S S+ 0 0 75 27,-0.2 28,-0.9 57,-0.2 -2,-0.1 0.747 99.0 63.9-116.6 -73.3 -11.0 33.0 29.2 136 137 A A >> - 0 0 4 26,-0.2 4,-1.8 1,-0.1 3,-0.9 -0.524 39.4-172.4 -80.9 106.3 -13.6 33.3 32.0 137 138 A P H 3> S+ 0 0 21 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.858 94.2 58.7 -57.5 -34.2 -16.1 30.5 32.8 138 139 A T H 3> S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.851 102.7 52.8 -66.6 -30.6 -17.7 33.0 35.3 139 140 A A H <> S+ 0 0 0 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.930 111.3 46.4 -67.8 -41.1 -18.3 35.4 32.3 140 141 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.947 114.8 45.6 -67.0 -45.0 -20.1 32.7 30.4 141 142 A F H X S+ 0 0 78 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.920 113.9 49.9 -62.4 -42.2 -22.2 31.5 33.3 142 143 A H H X S+ 0 0 24 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.915 108.3 52.7 -64.6 -39.1 -23.1 35.1 34.2 143 144 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.908 106.8 53.3 -61.5 -42.1 -24.1 35.8 30.6 144 145 A L H < S+ 0 0 14 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.917 111.3 46.0 -58.9 -42.2 -26.4 32.8 30.7 145 146 A N H >< S+ 0 0 96 -4,-2.0 3,-1.0 2,-0.2 4,-0.3 0.886 110.4 52.8 -67.5 -36.9 -28.1 34.2 33.8 146 147 A M H >< S+ 0 0 8 -4,-2.6 3,-1.5 1,-0.2 6,-0.3 0.920 107.4 53.1 -62.0 -41.5 -28.3 37.7 32.3 147 148 A L T 3< S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.541 90.9 74.4 -75.4 -5.2 -30.1 36.2 29.2 148 149 A E T < S+ 0 0 150 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.628 83.2 79.7 -77.3 -15.3 -32.7 34.5 31.5 149 150 A D S X S- 0 0 82 -3,-1.5 3,-2.0 -4,-0.3 -1,-0.0 -0.853 77.6-147.8 -92.0 120.7 -34.3 38.0 31.9 150 151 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.717 96.1 64.6 -62.3 -16.5 -36.4 38.9 28.8 151 152 A A T 3 S+ 0 0 83 2,-0.1 -4,-0.1 -3,-0.0 -3,-0.0 0.680 80.7 101.4 -76.8 -19.2 -35.5 42.5 29.3 152 153 A C S < S- 0 0 4 -3,-2.0 -29,-0.0 -6,-0.3 -6,-0.0 -0.480 82.7-113.5 -69.6 132.5 -31.8 41.8 28.6 153 154 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.340 35.7-135.1 -57.9 146.8 -30.5 42.6 25.0 154 155 A R - 0 0 81 -4,-0.1 -26,-2.5 2,-0.0 -25,-0.1 -0.900 7.2-130.4-117.4 130.5 -29.6 39.4 23.2 155 156 A P - 0 0 6 0, 0.0 -25,-0.2 0, 0.0 -28,-0.1 -0.292 15.6-126.9 -70.8 163.2 -26.5 38.8 21.1 156 157 A A S S- 0 0 29 -27,-2.1 2,-0.3 1,-0.3 -26,-0.2 0.784 88.8 -5.6 -76.9 -29.4 -26.6 37.3 17.5 157 158 A A E -d 130 0A 0 -28,-1.5 -26,-2.7 24,-0.1 2,-0.4 -0.980 59.1-140.5-162.3 155.7 -24.1 34.6 18.5 158 159 A I E -de 131 183A 0 24,-2.4 26,-1.8 -2,-0.3 2,-0.9 -0.981 0.7-162.3-127.7 122.2 -21.9 33.3 21.3 159 160 A I E -de 132 184A 0 -28,-3.2 -26,-2.8 -2,-0.4 2,-0.9 -0.890 21.4-173.2 -95.2 100.4 -18.4 31.9 20.8 160 161 A G E +de 133 185A 0 24,-2.8 26,-0.6 -2,-0.9 -26,-0.1 -0.718 27.6 138.4-104.7 84.2 -18.2 30.2 24.2 161 162 A C + 0 0 0 -28,-2.4 31,-3.0 -2,-0.9 35,-0.2 -0.172 15.5 159.1-123.0 43.5 -14.7 28.9 24.6 162 163 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -27,-0.2 -0.310 30.1-141.7 -65.0 148.9 -13.4 29.5 28.1 163 164 A V + 0 0 62 -28,-0.9 2,-0.2 -29,-0.5 27,-0.2 -0.725 40.1 80.1-104.6 158.9 -10.5 27.3 29.1 164 165 A G - 0 0 17 25,-2.6 5,-0.4 -2,-0.3 3,-0.1 -0.655 69.7 -93.0 139.2 175.9 -9.8 25.7 32.4 165 166 A F S S+ 0 0 148 -2,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.640 100.3 58.5 -99.4 -26.6 -10.1 23.2 35.2 166 167 A I S S- 0 0 153 -3,-0.1 -1,-0.2 23,-0.1 -3,-0.0 -0.959 126.0 -23.9-117.9 112.3 -12.7 24.9 37.3 167 168 A G S > S+ 0 0 19 -2,-0.5 4,-2.4 -3,-0.1 5,-0.2 0.207 104.5 104.9 79.0 -17.2 -16.1 25.7 35.9 168 169 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.980 82.7 41.2 -62.4 -56.9 -15.0 25.8 32.2 169 170 A A H > S+ 0 0 31 -5,-0.4 4,-2.5 1,-0.2 5,-0.2 0.914 117.7 50.3 -56.7 -42.8 -16.4 22.5 31.0 170 171 A E H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 107.5 52.3 -64.9 -40.7 -19.6 23.1 33.0 171 172 A S H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.896 113.4 43.9 -63.7 -40.2 -20.1 26.7 31.6 172 173 A K H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.894 112.6 50.3 -73.5 -39.7 -19.9 25.5 28.0 173 174 A A H X S+ 0 0 34 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.912 111.5 50.9 -63.3 -36.6 -22.1 22.4 28.6 174 175 A A H X S+ 0 0 32 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.880 106.8 53.9 -68.1 -35.6 -24.7 24.8 30.2 175 176 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.940 110.0 47.0 -62.7 -44.7 -24.5 27.2 27.2 176 177 A A H < S+ 0 0 9 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.907 114.5 46.6 -64.9 -39.9 -25.3 24.3 24.8 177 178 A V H < S+ 0 0 129 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.925 114.6 46.6 -66.9 -44.6 -28.2 23.0 27.0 178 179 A A H < S- 0 0 58 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.841 83.3-168.3 -67.1 -33.1 -29.7 26.6 27.4 179 180 A N < + 0 0 97 -4,-2.2 -3,-0.1 -5,-0.2 -4,-0.1 0.901 19.4 164.1 46.5 53.0 -29.3 27.3 23.6 180 181 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.902 67.3 -15.3 -67.9 -40.3 -30.0 31.1 24.3 181 182 A V S S- 0 0 14 -23,-0.1 -24,-0.1 -27,-0.0 -23,-0.1 -0.893 104.9 -53.7-149.8 167.3 -28.8 32.2 20.9 182 183 A P S S- 0 0 44 0, 0.0 -24,-2.4 0, 0.0 2,-0.3 -0.246 70.0-179.8 -53.7 136.3 -26.6 30.4 18.2 183 184 A W E - e 0 158A 13 -26,-0.2 -128,-3.0 -127,-0.1 2,-0.3 -0.887 30.1-159.3-139.0 161.2 -23.4 29.1 19.8 184 185 A V E +Ae 54 159A 0 -26,-1.8 -24,-2.8 -2,-0.3 2,-0.3 -0.982 21.5 176.5-137.6 141.8 -20.1 27.3 19.4 185 186 A I E -Ae 53 160A 0 -132,-2.6 -132,-2.4 -2,-0.3 2,-0.6 -0.938 34.0-134.2-137.1 161.8 -18.1 25.6 22.2 186 187 A V E -A 52 0A 0 -26,-0.6 -134,-0.2 -2,-0.3 -14,-0.1 -0.986 40.0-134.7-108.3 107.9 -15.0 23.6 22.7 187 188 A E + 0 0 63 -136,-3.3 3,-0.4 -2,-0.6 2,-0.2 -0.398 63.8 11.0 -64.7 145.7 -16.3 20.9 25.2 188 189 A G S S- 0 0 24 -19,-0.2 -16,-0.2 1,-0.2 -2,-0.1 -0.614 117.1 -32.6 95.9-152.2 -14.2 20.1 28.2 189 190 A R S S+ 0 0 156 -2,-0.2 -25,-2.6 -21,-0.1 -1,-0.2 0.686 106.2 94.2 -83.4 -22.5 -11.1 21.9 29.6 190 191 A L + 0 0 61 -3,-0.4 2,-0.3 -27,-0.2 -4,-0.2 -0.318 48.1 86.6 -74.1 157.9 -9.7 23.1 26.3 191 192 A G + 0 0 15 -28,-0.1 4,-0.2 -6,-0.1 -28,-0.2 -0.977 37.4 153.4 156.2-141.3 -10.4 26.6 24.9 192 193 A G > - 0 0 10 -31,-3.0 4,-2.3 -2,-0.3 -57,-0.2 -0.376 58.5 -59.6 111.5 171.2 -8.8 29.9 25.4 193 194 A S H > S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.880 125.3 52.0 -60.9 -43.2 -8.1 33.3 23.8 194 195 A A H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 112.4 44.5 -65.0 -44.2 -6.3 32.0 20.7 195 196 A I H > S+ 0 0 9 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 115.5 49.5 -63.5 -40.9 -9.0 29.4 19.8 196 197 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.931 111.6 47.7 -64.7 -46.4 -11.7 32.1 20.4 197 198 A V H X S+ 0 0 15 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.895 109.0 54.6 -58.6 -44.8 -9.9 34.7 18.3 198 199 A A H X S+ 0 0 6 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.890 106.9 51.3 -59.4 -39.4 -9.4 32.2 15.5 199 200 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.950 112.8 45.0 -63.5 -43.6 -13.2 31.5 15.5 200 201 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.949 114.2 48.5 -62.2 -50.7 -13.9 35.3 15.2 201 202 A N H X S+ 0 0 9 -4,-3.2 4,-1.2 1,-0.2 -1,-0.2 0.861 111.3 50.8 -59.6 -37.4 -11.2 35.8 12.5 202 203 A A H < S+ 0 0 6 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.900 114.3 43.6 -64.9 -42.5 -12.6 32.8 10.5 203 204 A L H < S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.712 107.1 62.2 -74.3 -23.1 -16.2 34.1 10.6 204 205 A A H < S+ 0 0 0 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 0.858 108.5 32.0 -72.3 -40.0 -15.1 37.7 9.8 205 206 A C < - 0 0 44 -4,-1.2 -1,-0.1 -3,-0.1 -117,-0.1 -0.962 63.6-143.0-127.7 140.7 -13.7 37.2 6.4 206 207 A R S S+ 0 0 175 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.1 0.626 84.8 81.5 -75.3 -13.7 -14.5 34.7 3.6 207 208 A K 0 0 161 -120,-0.1 -2,-0.1 1,-0.0 0, 0.0 -0.839 360.0 360.0 -95.5 122.8 -10.8 34.3 2.6 208 209 A E 0 0 80 -2,-0.5 -2,-0.1 -195,-0.0 -195,-0.1 -0.428 360.0 360.0 -63.1 360.0 -8.9 31.8 4.8