==== 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 HYDROLASE 06-NOV-00 1G6I . COMPND 2 MOLECULE: CLASS I ALPHA-1,2-MANNOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.HERSCOVICS,F.LIPARI,B.SLENO,P.A.ROMERA,F.VALLEE,P.YIP,P.A . 510 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.7 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 2 1 0 3 0 1 1 0 1 2 0 2 2 0 1 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 6 5 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 . 4 4 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 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 34 A A > 0 0 99 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 118.5 -13.6 86.1 12.9 2 35 A G H > + 0 0 19 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.942 360.0 46.8 -57.6 -52.0 -11.0 84.3 10.7 3 36 A E H > S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.784 113.0 52.9 -62.1 -27.3 -8.6 83.6 13.5 4 37 A M H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.938 108.0 45.8 -74.5 -49.1 -11.5 82.4 15.6 5 38 A D H X S+ 0 0 21 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.814 111.4 58.1 -62.8 -25.6 -12.8 79.9 13.0 6 39 A R H X S+ 0 0 21 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.932 104.8 47.5 -66.6 -47.0 -9.2 79.0 12.8 7 40 A D H X S+ 0 0 35 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.883 113.1 50.6 -61.2 -38.6 -9.1 78.2 16.5 8 41 A R H X S+ 0 0 133 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.925 111.1 45.3 -66.4 -46.7 -12.3 76.2 16.0 9 42 A I H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.893 113.9 50.3 -65.7 -38.2 -10.9 74.1 13.1 10 43 A E H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.865 111.1 50.7 -65.3 -35.8 -7.7 73.6 15.0 11 44 A S H X S+ 0 0 25 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.918 109.0 49.5 -67.1 -45.4 -9.7 72.5 18.0 12 45 A M H X S+ 0 0 9 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.924 112.7 48.4 -59.8 -45.1 -11.8 70.0 15.9 13 46 A F H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.935 111.9 48.5 -61.4 -48.0 -8.6 68.6 14.4 14 47 A L H X S+ 0 0 0 -4,-2.4 4,-3.5 2,-0.2 5,-0.3 0.853 107.6 54.9 -63.6 -34.5 -6.9 68.2 17.8 15 48 A E H X S+ 0 0 15 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.936 113.7 41.9 -64.7 -43.4 -10.0 66.5 19.4 16 49 A S H X S+ 0 0 2 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.938 118.3 47.1 -66.1 -45.3 -9.8 63.9 16.6 17 50 A W H X S+ 0 0 1 -4,-3.2 4,-3.0 2,-0.2 5,-0.2 0.888 109.9 51.1 -64.8 -42.0 -6.0 63.7 16.8 18 51 A R H X S+ 0 0 95 -4,-3.5 4,-2.2 2,-0.2 -1,-0.2 0.926 113.6 45.6 -61.7 -45.1 -5.9 63.4 20.6 19 52 A D H X S+ 0 0 17 -4,-1.8 4,-2.3 -5,-0.3 5,-0.4 0.928 114.6 47.4 -64.7 -45.5 -8.5 60.6 20.6 20 53 A Y H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.922 113.6 48.1 -61.1 -45.1 -6.7 58.8 17.7 21 54 A S H X S+ 0 0 17 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.873 112.6 49.3 -64.4 -36.9 -3.3 59.2 19.4 22 55 A K H < S+ 0 0 149 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.900 129.2 16.2 -70.3 -40.0 -4.7 57.9 22.7 23 56 A H H < S+ 0 0 75 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.776 135.0 25.3-107.7 -34.0 -6.4 54.8 21.3 24 57 A G H >< S+ 0 0 0 -4,-2.4 3,-2.5 -5,-0.4 -3,-0.2 0.105 70.7 160.6-123.8 27.5 -5.2 53.9 17.9 25 58 A W T 3< S+ 0 0 42 -4,-0.5 3,-0.1 1,-0.3 -4,-0.1 -0.232 74.4 12.3 -53.9 124.4 -1.7 55.4 17.6 26 59 A G T 3 S+ 0 0 7 1,-0.3 22,-0.3 2,-0.0 2,-0.3 0.359 99.6 122.3 91.3 -5.2 0.2 53.7 14.8 27 60 A Y < - 0 0 89 -3,-2.5 23,-0.3 1,-0.1 -1,-0.3 -0.720 57.6-144.4 -98.1 145.1 -2.8 52.0 13.2 28 61 A D S S+ 0 0 3 -2,-0.3 2,-0.4 21,-0.1 11,-0.2 0.807 87.6 41.0 -69.0 -37.8 -4.1 52.4 9.7 29 62 A V E +A 38 0A 31 9,-2.6 9,-1.7 430,-0.1 2,-0.4 -0.961 68.4 179.8-120.6 134.7 -7.8 52.1 10.5 30 63 A Y E -A 37 0A 0 428,-0.5 428,-2.5 -2,-0.4 7,-0.2 -0.995 18.3-158.3-141.9 134.6 -9.5 53.7 13.4 31 64 A G E >> -A 36 0A 2 5,-3.1 5,-1.1 -2,-0.4 4,-1.1 -0.938 4.9-165.3-111.8 111.0 -13.0 53.8 14.7 32 65 A P T 45S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 424,-0.1 0.792 82.9 60.9 -64.4 -31.2 -13.7 56.8 17.0 33 66 A I T 45S+ 0 0 59 1,-0.2 423,-0.1 422,-0.2 409,-0.0 0.969 123.8 17.2 -63.1 -53.8 -17.0 55.4 18.4 34 67 A E T 45S- 0 0 129 2,-0.1 -1,-0.2 -3,-0.0 3,-0.1 0.396 101.1-124.0 -98.7 0.8 -15.5 52.2 20.0 35 68 A H T <5 + 0 0 58 -4,-1.1 2,-0.2 1,-0.2 -2,-0.1 0.843 60.7 150.5 58.3 36.4 -11.9 53.5 19.9 36 69 A T E < +A 31 0A 62 -5,-1.1 -5,-3.1 420,-0.0 2,-0.3 -0.613 20.0 174.8 -99.0 158.9 -11.0 50.4 17.9 37 70 A S E +A 30 0A 42 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.994 12.4 169.4-158.9 162.1 -8.2 50.0 15.4 38 71 A H E -A 29 0A 101 -9,-1.7 -9,-2.6 -2,-0.3 2,-0.3 -0.967 32.0-107.0-165.5 165.3 -6.3 47.6 13.1 39 72 A N - 0 0 15 -2,-0.3 5,-0.1 -11,-0.2 -12,-0.1 -0.708 21.6-130.7-101.3 157.1 -3.8 47.7 10.2 40 73 A M S S+ 0 0 98 -2,-0.3 -1,-0.1 5,-0.1 -13,-0.0 0.905 77.9 88.2 -74.5 -44.3 -4.5 47.0 6.6 41 74 A P S > S- 0 0 12 0, 0.0 3,-2.6 0, 0.0 -2,-0.2 -0.271 82.2-124.2 -59.4 140.9 -1.8 44.4 5.7 42 75 A R T 3 S+ 0 0 111 1,-0.3 51,-0.1 2,-0.1 -3,-0.0 0.789 113.6 56.4 -54.6 -28.6 -2.7 40.8 6.3 43 76 A G T 3 S- 0 0 55 49,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.477 112.9-119.9 -84.0 -3.5 0.5 40.6 8.5 44 77 A N < + 0 0 94 -3,-2.6 -2,-0.1 1,-0.3 -4,-0.1 0.627 62.8 144.3 75.3 15.1 -0.7 43.5 10.7 45 78 A Q - 0 0 73 1,-0.1 -1,-0.3 -6,-0.1 -5,-0.1 -0.674 52.3-112.1 -83.3 141.7 2.3 45.8 9.9 46 79 A P - 0 0 27 0, 0.0 42,-0.5 0, 0.0 -19,-0.1 -0.391 21.6-166.2 -76.6 151.7 1.4 49.5 9.7 47 80 A L - 0 0 5 40,-0.1 -20,-0.1 -2,-0.1 42,-0.0 0.467 44.8-117.4-108.6 -9.1 1.4 51.5 6.6 48 81 A G >> + 0 0 2 -22,-0.3 4,-2.0 4,-0.1 5,-0.8 0.715 55.7 161.9 76.2 23.7 1.1 54.9 8.4 49 82 A W T 45S+ 0 0 21 1,-0.2 4,-0.3 2,-0.2 -21,-0.1 0.797 74.2 23.9 -45.7 -42.5 -2.3 55.4 6.7 50 83 A I T >5S+ 0 0 2 -23,-0.3 4,-1.3 2,-0.1 -1,-0.2 0.875 123.9 49.5 -93.8 -44.6 -3.5 58.0 9.2 51 84 A I H >>5S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 3,-0.6 0.957 115.0 41.9 -60.7 -55.5 -0.2 59.4 10.6 52 85 A V H 3<5S+ 0 0 1 -4,-2.0 4,-0.5 1,-0.2 3,-0.3 0.883 113.8 53.7 -60.4 -39.6 1.6 60.0 7.3 53 86 A D H 34 S+ 0 0 0 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.812 107.3 54.1 -66.0 -26.4 1.3 68.1 6.7 57 90 A T H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.909 107.5 51.7 -71.2 -38.0 -1.9 69.3 8.3 58 91 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.916 110.6 49.1 -61.0 -42.2 -0.2 69.3 11.7 59 92 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.897 110.1 49.3 -65.4 -41.8 2.6 71.4 10.1 60 93 A L H X S+ 0 0 16 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.925 115.1 44.1 -64.1 -44.0 0.2 73.9 8.5 61 94 A M H >X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 3,-0.8 0.878 110.5 54.7 -68.7 -37.6 -1.7 74.4 11.8 62 95 A Y H 3< S+ 0 0 36 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.900 104.0 57.7 -59.9 -40.4 1.5 74.6 13.8 63 96 A N H 3< S+ 0 0 76 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.690 122.4 21.3 -65.1 -21.7 2.6 77.4 11.5 64 97 A S H << S+ 0 0 37 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.405 89.4 121.7-128.7 0.5 -0.4 79.6 12.3 65 98 A S < + 0 0 8 -4,-1.9 -58,-0.0 1,-0.1 -62,-0.0 -0.436 29.2 177.9 -70.8 138.9 -1.8 78.4 15.6 66 99 A T S S+ 0 0 96 -63,-0.2 -1,-0.1 -2,-0.1 -4,-0.0 0.560 83.5 35.0-112.4 -17.2 -2.0 81.0 18.4 67 100 A L S S+ 0 0 105 2,-0.0 3,-0.1 3,-0.0 4,-0.1 0.721 131.0 22.9-108.1 -29.7 -3.6 78.7 21.0 68 101 A Y S >> S+ 0 0 59 -7,-0.1 4,-2.5 1,-0.1 3,-0.8 0.204 74.5 123.8-126.0 18.2 -2.1 75.3 20.4 69 102 A K H 3> S+ 0 0 83 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.871 79.8 51.1 -45.8 -44.9 1.2 75.9 18.6 70 103 A S H 3> S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.863 109.7 49.0 -63.9 -37.4 3.1 74.0 21.2 71 104 A E H <> S+ 0 0 53 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.924 110.7 50.2 -69.4 -43.3 0.8 71.0 21.0 72 105 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.906 109.1 52.7 -61.4 -40.5 1.0 70.8 17.2 73 106 A E H X S+ 0 0 86 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.929 109.5 48.1 -61.0 -45.0 4.8 71.0 17.4 74 107 A A H X S+ 0 0 52 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.867 110.8 51.2 -63.9 -37.7 4.9 68.0 19.8 75 108 A E H X S+ 0 0 32 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.846 106.3 53.8 -69.6 -33.8 2.6 66.0 17.6 76 109 A I H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.938 111.3 47.3 -64.2 -43.0 4.8 66.7 14.6 77 110 A Q H X S+ 0 0 57 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.912 111.8 49.4 -62.0 -45.0 7.7 65.3 16.6 78 111 A R H X S+ 0 0 106 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.953 115.2 44.2 -59.3 -50.4 5.7 62.3 17.7 79 112 A S H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.927 113.3 50.7 -60.8 -47.4 4.6 61.6 14.1 80 113 A E H X S+ 0 0 12 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.912 110.0 48.6 -58.9 -46.9 8.1 62.1 12.7 81 114 A H H X S+ 0 0 98 -4,-2.6 4,-3.4 2,-0.2 5,-0.4 0.902 112.9 48.7 -61.8 -40.9 9.8 59.8 15.2 82 115 A W H X>S+ 0 0 22 -4,-2.0 4,-2.7 -5,-0.2 5,-2.1 0.932 110.6 50.4 -64.9 -45.3 7.2 57.1 14.5 83 116 A I H <5S+ 0 0 0 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.904 119.0 38.8 -58.3 -41.6 7.6 57.5 10.8 84 117 A N H <5S+ 0 0 85 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.922 128.2 29.1 -75.9 -45.9 11.4 57.2 11.2 85 118 A D H <5S+ 0 0 121 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.755 132.1 20.8 -90.2 -29.8 11.6 54.5 13.9 86 119 A V T <5S+ 0 0 79 -4,-2.7 -3,-0.2 -5,-0.4 -4,-0.1 0.838 94.5 89.0-107.4 -52.5 8.5 52.3 13.5 87 120 A L < + 0 0 6 -5,-2.1 2,-0.3 -42,-0.1 -40,-0.1 -0.224 49.6 174.9 -52.1 132.8 7.0 52.6 10.0 88 121 A D - 0 0 85 -42,-0.5 -4,-0.0 1,-0.1 -40,-0.0 -0.896 22.0-166.8-146.5 111.1 8.6 50.1 7.6 89 122 A F + 0 0 1 -2,-0.3 2,-2.4 1,-0.2 -2,-0.1 0.436 65.0 102.8 -81.2 3.5 7.4 49.7 4.0 90 123 A D + 0 0 65 2,-0.1 2,-0.5 66,-0.0 -1,-0.2 -0.542 56.8 150.6 -83.4 74.4 9.3 46.4 3.5 91 124 A I - 0 0 0 -2,-2.4 2,-2.0 2,-0.1 65,-1.0 -0.935 53.6-135.2-115.3 128.7 6.0 44.6 4.0 92 125 A D S S+ 0 0 111 -2,-0.5 2,-0.3 63,-0.2 -49,-0.2 -0.571 72.1 100.5 -80.9 81.5 5.0 41.3 2.4 93 126 A A S S- 0 0 12 -2,-2.0 62,-1.9 -51,-0.1 2,-0.4 -0.970 73.5-111.9-162.3 149.1 1.5 42.5 1.4 94 127 A E E -B 154 0B 129 -2,-0.3 2,-0.3 60,-0.2 60,-0.3 -0.740 36.6-177.8 -89.5 130.5 -0.3 43.7 -1.7 95 128 A V E -B 153 0B 14 58,-2.7 58,-2.3 -2,-0.4 2,-0.4 -0.914 35.5 -99.9-127.0 154.8 -1.3 47.3 -1.7 96 129 A N E > -B 152 0B 42 -2,-0.3 4,-2.2 56,-0.2 5,-0.3 -0.611 27.8-146.5 -74.9 125.4 -3.2 49.5 -4.2 97 130 A V H > S+ 0 0 4 54,-2.5 4,-2.3 -2,-0.4 5,-0.2 0.920 94.7 50.2 -58.0 -47.7 -0.7 51.5 -6.1 98 131 A F H > S+ 0 0 29 53,-0.5 4,-2.8 2,-0.2 5,-0.3 0.963 113.4 42.2 -57.1 -58.4 -3.0 54.5 -6.5 99 132 A E H >>S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 5,-0.6 0.912 116.5 47.9 -58.3 -45.5 -4.0 54.8 -2.8 100 133 A T H X>S+ 0 0 1 -4,-2.2 5,-2.3 1,-0.2 4,-0.8 0.876 113.7 49.1 -66.0 -34.5 -0.5 54.2 -1.5 101 134 A T H <>S+ 0 0 0 -4,-2.3 5,-2.3 -5,-0.3 -2,-0.2 0.949 116.2 39.3 -69.7 -49.3 0.9 56.8 -4.0 102 135 A I H <5S+ 0 0 6 -4,-2.8 386,-0.3 -5,-0.2 -2,-0.2 0.868 128.5 30.2 -71.7 -34.1 -1.5 59.6 -3.3 103 136 A R H X5S+ 0 0 18 -4,-2.4 4,-1.4 -5,-0.3 -3,-0.2 0.942 132.2 23.2 -90.3 -56.6 -1.7 59.1 0.5 104 137 A M H XS+ 0 0 5 -4,-2.1 5,-1.0 -5,-0.3 4,-0.9 0.908 113.5 44.7 -62.3 -39.2 9.3 70.8 6.9 116 149 A D H <5S+ 0 0 68 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.960 121.0 35.0 -68.4 -54.8 11.7 72.5 4.5 117 150 A V H <5S+ 0 0 83 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.716 125.6 40.7 -76.5 -22.6 9.8 75.7 3.9 118 151 A L H <5S- 0 0 35 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.2 0.544 101.0-134.5-100.3 -10.7 8.4 76.0 7.5 119 152 A E T <5 + 0 0 175 -4,-0.9 2,-0.4 -5,-0.3 -3,-0.2 0.925 58.4 130.8 55.7 53.0 11.7 74.8 9.1 120 153 A V < - 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0 0 57 -5,-0.1 -5,-2.0 -6,-0.0 -1,-0.3 -0.611 36.7-141.4 -77.7 127.8 5.3 41.4 -7.7 160 193 A A E -C 153 0B 35 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.579 13.3-162.6 -89.6 151.6 2.4 43.2 -9.5 161 194 A V E -C 152 0B 45 -9,-2.8 -9,-2.4 -2,-0.2 3,-0.1 -0.984 15.2-126.2-140.2 127.1 -1.2 42.0 -9.4 162 195 A K - 0 0 59 -2,-0.4 7,-0.1 -12,-0.2 2,-0.1 -0.057 45.0 -74.7 -64.4 165.5 -4.1 42.9 -11.7 163 196 A N - 0 0 32 5,-0.5 -1,-0.2 1,-0.1 5,-0.1 -0.408 39.8-136.4 -61.2 132.7 -7.5 44.2 -10.6 164 197 A H S S+ 0 0 107 -3,-0.1 3,-0.2 -2,-0.1 -1,-0.1 0.943 83.6 25.6 -58.0 -50.1 -9.5 41.3 -9.2 165 198 A A S > S+ 0 0 55 1,-0.1 3,-1.4 2,-0.1 4,-0.2 -0.197 89.1 67.5-101.9-166.8 -12.7 42.3 -11.0 166 199 A D G > S- 0 0 62 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 0.823 123.4 -67.2 61.4 36.0 -13.6 44.2 -14.1 167 200 A G G 3 S- 0 0 71 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.714 94.1 -61.0 60.1 19.5 -12.1 41.6 -16.4 168 201 A G G < S+ 0 0 10 -3,-1.4 -5,-0.5 1,-0.3 -1,-0.3 0.516 97.7 145.9 86.4 5.6 -8.7 42.5 -15.1 169 202 A A < - 0 0 1 -3,-2.1 -1,-0.3 -4,-0.2 55,-0.3 -0.375 45.8-125.5 -75.1 155.5 -8.9 46.1 -16.3 170 203 A S E -D 223 0C 2 53,-3.0 53,-3.0 -2,-0.1 2,-0.4 -0.677 29.0-102.9 -96.7 155.9 -7.3 48.9 -14.3 171 204 A S E >> -D 222 0C 0 -2,-0.3 4,-0.8 51,-0.2 3,-0.6 -0.684 28.9-134.0 -79.8 129.2 -9.3 52.0 -13.2 172 205 A T H >> S+ 0 0 0 49,-2.1 3,-0.8 -2,-0.4 4,-0.5 0.886 103.1 48.5 -51.7 -48.5 -8.3 54.8 -15.5 173 206 A A H >4 S+ 0 0 3 67,-2.4 3,-0.8 48,-0.3 -1,-0.3 0.818 99.8 70.0 -64.4 -28.8 -7.8 57.4 -12.7 174 207 A E H <4 S+ 0 0 32 -3,-0.6 3,-0.3 1,-0.2 -1,-0.2 0.808 108.2 32.2 -62.9 -30.5 -5.7 55.0 -10.7 175 208 A F H << S+ 0 0 2 -4,-0.8 -1,-0.2 -3,-0.8 3,-0.2 0.400 118.0 55.7-106.2 5.1 -2.7 55.1 -13.1 176 209 A T S << S+ 0 0 0 -3,-0.8 71,-0.3 -4,-0.5 -2,-0.2 0.064 98.6 62.6-118.0 18.9 -3.3 58.7 -14.2 177 210 A T S S+ 0 0 0 -3,-0.3 -1,-0.1 -4,-0.2 310,-0.1 -0.241 84.9 74.7-134.4 41.8 -3.2 60.1 -10.6 178 211 A L > + 0 0 0 -3,-0.2 4,-2.0 20,-0.1 5,-0.2 0.361 69.9 90.4-127.5 -7.1 0.4 59.1 -9.8 179 212 A Q H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.853 81.6 49.1 -66.8 -43.3 2.2 61.8 -11.8 180 213 A M H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.929 114.4 49.0 -63.5 -41.8 2.6 64.7 -9.4 181 214 A E H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.941 116.1 38.4 -63.2 -51.9 4.0 62.3 -6.8 182 215 A F H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.831 116.2 52.4 -72.7 -30.0 6.6 60.6 -8.9 183 216 A K H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.909 109.8 47.7 -72.8 -39.2 7.5 63.7 -10.8 184 217 A Y H X S+ 0 0 4 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.905 111.4 52.2 -66.4 -37.1 8.2 65.7 -7.6 185 218 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 6,-0.4 0.873 108.9 49.8 -64.3 -36.6 10.2 62.7 -6.4 186 219 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 5,-0.4 0.915 109.8 52.4 -66.4 -41.2 12.2 62.8 -9.6 187 220 A Y H < S+ 0 0 40 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.867 113.1 42.9 -61.1 -40.8 12.8 66.5 -9.1 188 221 A L H < S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.827 124.1 34.6 -77.5 -33.4 14.1 66.0 -5.6 189 222 A T H < S- 0 0 49 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.702 96.1-129.4 -94.5 -24.1 16.3 63.0 -6.3 190 223 A G < + 0 0 34 -4,-2.9 2,-1.0 1,-0.3 -3,-0.2 0.536 63.1 140.1 82.9 5.4 17.4 63.9 -9.8 191 224 A N >> - 0 0 61 -5,-0.4 3,-0.9 -6,-0.4 4,-0.6 -0.737 35.7-170.7 -88.5 103.3 16.3 60.4 -10.7 192 225 A R H 3> S+ 0 0 116 -2,-1.0 4,-2.7 1,-0.2 5,-0.2 0.699 72.8 80.4 -65.2 -21.7 14.7 60.7 -14.1 193 226 A T H 3> S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.891 88.9 53.0 -55.3 -42.2 13.4 57.1 -14.0 194 227 A Y H <> S+ 0 0 6 -3,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.925 112.9 45.1 -58.3 -45.4 10.4 58.0 -11.7 195 228 A W H X S+ 0 0 4 -4,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.929 113.0 49.1 -64.1 -49.0 9.4 60.7 -14.2 196 229 A E H X S+ 0 0 86 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.902 111.8 48.6 -60.8 -43.4 9.8 58.5 -17.3 197 230 A L H < S+ 0 0 39 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.927 113.1 45.8 -65.8 -43.9 7.8 55.6 -15.9 198 231 A V H < S+ 0 0 0 -4,-1.9 3,-0.4 -5,-0.3 -1,-0.2 0.812 112.3 49.6 -72.7 -27.2 4.9 57.7 -14.8 199 232 A E H >< S+ 0 0 16 -4,-1.9 3,-1.3 1,-0.2 4,-0.4 0.748 94.2 77.9 -80.8 -21.6 4.6 59.8 -18.0 200 233 A R T 3< S+ 0 0 109 -4,-1.2 3,-0.5 1,-0.2 -1,-0.2 0.767 77.4 71.7 -58.1 -30.6 4.6 56.6 -20.1 201 234 A V T 3> S+ 0 0 0 -4,-0.5 4,-1.3 -3,-0.4 -1,-0.2 0.736 87.6 63.9 -62.1 -25.5 1.0 55.7 -19.4 202 235 A Y H <> S+ 0 0 0 -3,-1.3 4,-3.1 -4,-0.2 5,-0.3 0.900 90.4 60.2 -70.2 -43.4 -0.5 58.5 -21.5 203 236 A E H > S+ 0 0 72 -3,-0.5 4,-3.2 -4,-0.4 5,-0.4 0.951 110.2 40.2 -53.0 -57.0 0.7 57.6 -25.0 204 237 A P H > S+ 0 0 8 0, 0.0 4,-2.0 0, 0.0 5,-0.4 0.921 115.1 54.9 -60.3 -38.1 -1.0 54.2 -25.2 205 238 A L H X S+ 0 0 0 -4,-1.3 4,-0.5 1,-0.2 6,-0.3 0.937 118.5 32.1 -58.4 -48.9 -4.1 55.6 -23.5 206 239 A Y H X>S+ 0 0 5 -4,-3.1 5,-1.7 2,-0.1 4,-0.6 0.900 125.6 41.7 -76.3 -43.1 -4.5 58.4 -26.0 207 240 A K H ><5S+ 0 0 142 -4,-3.2 3,-0.6 -5,-0.3 -2,-0.2 0.934 113.4 48.0 -71.0 -51.7 -3.2 56.6 -29.1 208 241 A N H 3<5S+ 0 0 62 -4,-2.0 -1,-0.2 -5,-0.4 -3,-0.2 0.683 122.1 36.0 -67.2 -18.1 -4.7 53.1 -28.7 209 242 A N H 3<5S- 0 0 18 -4,-0.5 -1,-0.2 -5,-0.4 -2,-0.2 0.439 98.2-126.6-113.7 -2.9 -8.2 54.6 -28.0 210 243 A D T + 0 0 70 -4,-0.6 4,-2.2 -3,-0.6 5,-0.9 0.959 43.6 176.2 51.4 49.8 -8.3 57.6 -30.3 211 244 A L H >< + 0 0 0 -5,-1.7 6,-2.2 -6,-0.3 4,-0.9 0.880 66.8 43.7 -55.5 -47.3 -9.2 59.4 -27.1 212 245 A L H >5S+ 0 0 46 -6,-0.3 4,-0.8 4,-0.2 -1,-0.2 0.965 123.1 33.7 -67.0 -51.8 -9.2 63.0 -28.4 213 246 A N H 45S+ 0 0 120 2,-0.2 -2,-0.2 3,-0.1 -1,-0.1 0.968 129.1 31.5 -69.0 -55.7 -11.1 62.3 -31.7 214 247 A T H <5S+ 0 0 80 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.885 133.1 27.1 -73.4 -42.4 -13.5 59.5 -30.6 215 248 A Y H >< - 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