==== 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 TRANSFERASE 03-FEB-05 1WY0 . COMPND 2 MOLECULE: GERANYLGERANYL PYROPHOSPHATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR M.SUGAHARA,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 327 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 79.8 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 . 0 0.0 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 . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.1 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 2 0 0 0 4 0 1 1 0 1 1 0 1 0 0 1 0 1 1 0 0 0 0 2 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 E >> 0 0 187 0, 0.0 4,-1.1 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 -52.2 -16.5 36.3 26.3 2 3 A K H 3> + 0 0 105 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.834 360.0 63.5 -58.8 -31.7 -16.3 34.0 29.3 3 4 A Y H 3> S+ 0 0 27 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.857 96.6 57.3 -56.3 -36.5 -15.3 31.4 26.7 4 5 A E H <4 S+ 0 0 114 -3,-0.8 4,-0.5 2,-0.2 -1,-0.2 0.865 110.8 41.9 -61.9 -37.9 -12.3 33.6 26.2 5 6 A E H X S+ 0 0 136 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.855 111.4 54.9 -76.5 -35.9 -11.4 33.2 29.9 6 7 A L H X S+ 0 0 2 -4,-3.0 4,-3.1 1,-0.3 3,-0.3 0.949 110.0 46.7 -60.7 -46.6 -12.2 29.5 29.9 7 8 A F H X S+ 0 0 50 -4,-2.9 4,-2.2 1,-0.2 -1,-0.3 0.734 107.5 59.4 -66.5 -20.8 -9.8 29.1 27.0 8 9 A A H > S+ 0 0 52 -4,-0.5 4,-0.9 -5,-0.2 -1,-0.2 0.870 110.2 40.9 -73.2 -38.1 -7.4 31.2 29.1 9 10 A R H X S+ 0 0 51 -4,-2.0 4,-2.5 -3,-0.3 3,-0.3 0.941 114.3 51.3 -71.5 -51.2 -7.7 28.6 31.9 10 11 A I H X S+ 0 0 10 -4,-3.1 4,-2.1 1,-0.3 -2,-0.2 0.928 112.8 46.0 -50.7 -50.3 -7.5 25.7 29.5 11 12 A K H X S+ 0 0 163 -4,-2.2 4,-0.9 1,-0.2 -1,-0.3 0.773 109.0 58.2 -65.0 -27.4 -4.4 27.2 27.9 12 13 A E H X S+ 0 0 122 -4,-0.9 4,-0.6 -3,-0.3 3,-0.5 0.925 109.6 41.5 -68.0 -47.0 -3.0 27.9 31.4 13 14 A K H >X S+ 0 0 25 -4,-2.5 4,-1.9 1,-0.2 3,-0.6 0.849 102.4 71.0 -68.6 -35.5 -3.2 24.2 32.4 14 15 A A H 3X S+ 0 0 12 -4,-2.1 4,-3.4 -5,-0.3 -1,-0.2 0.839 90.3 62.0 -49.8 -38.6 -1.9 23.1 29.0 15 16 A K H 3X S+ 0 0 157 -4,-0.9 4,-1.9 -3,-0.5 -1,-0.2 0.923 105.3 43.7 -54.9 -51.3 1.5 24.5 30.0 16 17 A L H X S+ 0 0 63 -4,-1.6 4,-1.1 1,-0.2 3,-0.7 0.892 110.5 54.0 -63.2 -40.8 5.4 16.6 31.2 21 22 A I H >X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 3,-0.8 0.955 111.0 44.4 -58.9 -51.9 4.5 15.4 27.7 22 23 A F H 3< S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.507 107.0 58.2 -76.1 -2.7 7.8 16.5 26.2 23 24 A E H << S+ 0 0 85 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.681 110.2 45.9 -93.4 -20.6 9.9 15.2 29.0 24 25 A L H << S+ 0 0 1 -4,-1.1 -2,-0.2 -3,-0.8 -3,-0.1 0.842 124.8 32.2 -83.5 -40.0 8.5 11.8 28.3 25 26 A I S < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.671 86.4 159.2-120.4 75.7 8.9 12.2 24.5 26 27 A P - 0 0 40 0, 0.0 2,-1.8 0, 0.0 -3,-0.1 -0.289 56.9 -82.5 -86.6 173.4 12.1 14.3 24.1 27 28 A E S S+ 0 0 125 -5,-0.1 2,-0.3 -2,-0.1 4,-0.1 -0.574 82.1 127.8 -81.0 83.4 14.4 14.6 21.1 28 29 A K - 0 0 89 -2,-1.8 6,-0.4 2,-0.3 5,-0.1 -0.816 53.4 -26.8-133.8 172.8 16.5 11.5 21.7 29 30 A D S S+ 0 0 126 -2,-0.3 2,-0.0 1,-0.2 -1,-0.0 -0.462 126.0 34.7 -70.5 131.9 17.7 8.3 20.0 30 31 A P S > S+ 0 0 70 0, 0.0 4,-1.8 0, 0.0 -2,-0.3 0.431 78.7 175.2 -85.8 135.0 16.1 7.3 17.9 31 32 A R H >>S+ 0 0 142 2,-0.2 4,-3.9 1,-0.2 5,-0.5 0.927 75.8 59.1 -68.2 -48.8 15.1 10.8 16.8 32 33 A V H >5S+ 0 0 68 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.874 112.5 43.7 -48.9 -37.8 13.2 9.8 13.6 33 34 A L H >5S+ 0 0 28 2,-0.2 4,-2.2 3,-0.2 -1,-0.3 0.887 116.5 45.5 -71.5 -41.0 11.0 7.8 16.0 34 35 A Y H X5S+ 0 0 17 -4,-1.8 4,-1.4 -6,-0.4 -2,-0.2 0.774 114.4 46.9 -81.1 -23.8 10.8 10.5 18.6 35 36 A E H X5S+ 0 0 56 -4,-3.9 4,-1.7 2,-0.2 -1,-0.2 0.841 111.6 51.6 -79.4 -35.8 10.1 13.3 16.2 36 37 A A H X<>S+ 0 0 8 -4,-0.5 3,-1.4 -3,-0.3 5,-0.5 0.937 117.1 52.8 -70.3 -43.0 1.0 15.6 16.7 41 42 A P G >45S+ 0 0 1 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.848 109.0 52.9 -57.5 -33.2 1.7 16.7 20.3 42 43 A L G 3<5S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.1 0.569 83.7 85.4 -76.6 -15.5 3.8 19.6 18.8 43 44 A A G < 5S- 0 0 38 -3,-1.4 -1,-0.2 -4,-0.5 -3,-0.1 0.683 109.9-113.5 -63.5 -13.1 0.9 20.6 16.6 44 45 A G T < 5 - 0 0 50 -3,-0.9 -2,-0.1 -4,-0.3 -1,-0.1 0.840 41.4-166.8 87.0 34.1 -0.2 22.5 19.7 45 46 A G < - 0 0 11 -5,-0.5 -1,-0.1 -4,-0.4 -5,-0.0 -0.092 28.1-120.6 -47.6 154.1 -3.4 20.6 20.6 46 47 A K - 0 0 145 1,-0.0 -32,-0.1 -32,-0.0 -1,-0.1 0.629 32.1-132.5 -80.8 -10.1 -5.5 22.4 23.1 47 48 A R > + 0 0 8 3,-0.1 4,-2.2 1,-0.1 5,-0.2 0.896 44.8 160.7 62.8 41.9 -5.4 19.5 25.6 48 49 A V H > S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.882 71.0 52.6 -60.6 -41.0 -9.1 19.4 26.3 49 50 A R H > S+ 0 0 27 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.954 110.9 44.7 -62.4 -50.9 -8.9 15.8 27.6 50 51 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.901 110.3 57.4 -60.3 -38.0 -6.2 16.5 30.1 51 52 A F H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.3 5,-0.2 0.890 103.9 52.0 -58.1 -39.7 -8.0 19.7 31.1 52 53 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 -3,-0.2 -1,-0.3 0.862 108.8 52.9 -66.1 -33.0 -11.0 17.6 32.0 53 54 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 3,-0.3 0.996 115.1 36.0 -63.6 -65.5 -8.8 15.5 34.2 54 55 A L H < S+ 0 0 1 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.855 119.7 50.6 -57.4 -38.9 -7.3 18.3 36.3 55 56 A T H >X S+ 0 0 0 -4,-2.6 4,-1.0 -5,-0.3 3,-0.5 0.844 108.4 52.9 -69.8 -32.7 -10.5 20.2 36.3 56 57 A S H 3< S+ 0 0 0 -4,-1.9 4,-0.3 -3,-0.3 -2,-0.2 0.833 103.3 56.2 -71.7 -32.6 -12.4 17.1 37.4 57 58 A T T 3X>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 4,-1.3 0.646 108.6 49.7 -71.5 -14.8 -10.1 16.6 40.3 58 59 A E T <45S+ 0 0 74 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.685 101.2 60.4 -93.7 -23.3 -11.0 20.1 41.4 59 60 A A T <5S+ 0 0 4 -4,-1.0 -2,-0.2 254,-0.2 -1,-0.1 0.520 118.7 30.0 -79.5 -4.3 -14.7 19.6 41.2 60 61 A V T 45S- 0 0 22 -4,-0.3 -2,-0.2 248,-0.1 -3,-0.1 0.726 140.0 -22.9-119.0 -50.5 -14.5 16.9 43.8 61 62 A G T <5S- 0 0 55 -4,-1.3 2,-0.2 -5,-0.2 -3,-0.2 0.568 84.4-114.7-132.2 -63.5 -11.6 17.4 46.2 62 63 A G S - 0 0 85 -2,-0.2 3,-1.4 1,-0.1 4,-0.2 0.997 37.7-175.6 59.7 68.8 -5.1 19.8 44.0 64 65 A P G > + 0 0 14 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.645 69.9 89.6 -63.6 -15.5 -5.3 18.8 40.3 65 66 A L G > S+ 0 0 102 1,-0.3 3,-0.9 2,-0.2 4,-0.2 0.792 81.7 54.0 -54.8 -30.1 -1.5 18.9 40.6 66 67 A R G < S+ 0 0 110 -3,-1.4 62,-0.4 1,-0.2 -1,-0.3 0.612 101.5 60.2 -82.5 -9.1 -1.4 15.3 41.5 67 68 A A G <> S+ 0 0 0 -3,-2.2 4,-1.0 -4,-0.2 -1,-0.2 0.072 76.3 102.0-100.9 24.7 -3.5 14.4 38.5 68 69 A I H <> S+ 0 0 12 -3,-0.9 4,-2.3 2,-0.2 5,-0.2 0.965 81.8 39.8 -76.1 -53.2 -0.8 15.7 36.0 69 70 A Y H > S+ 0 0 19 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.896 115.8 52.0 -65.1 -35.8 0.8 12.5 34.9 70 71 A P H > S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.840 111.2 48.3 -68.2 -29.7 -2.5 10.6 34.7 71 72 A A H X S+ 0 0 0 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.862 109.8 52.4 -74.0 -37.1 -3.8 13.5 32.5 72 73 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.905 104.3 57.2 -63.4 -40.5 -0.7 13.2 30.4 73 74 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.937 106.8 48.6 -54.5 -50.4 -1.3 9.5 30.0 74 75 A I H X S+ 0 0 1 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.869 110.6 49.2 -61.2 -38.3 -4.7 10.3 28.5 75 76 A E H X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.843 111.2 50.8 -71.8 -31.2 -3.4 12.9 26.1 76 77 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.899 110.7 48.9 -70.0 -39.7 -0.7 10.5 25.0 77 78 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.932 110.2 51.0 -65.0 -44.5 -3.3 7.8 24.4 78 79 A H H X S+ 0 0 33 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.910 111.4 49.1 -58.4 -43.4 -5.4 10.3 22.4 79 80 A N H X S+ 0 0 5 -4,-2.0 4,-1.8 1,-0.2 3,-0.3 0.896 107.6 52.4 -66.4 -40.9 -2.4 11.2 20.3 80 81 A Y H X S+ 0 0 24 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.864 107.1 54.4 -63.5 -33.8 -1.5 7.6 19.6 81 82 A S H X S+ 0 0 11 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.815 106.1 52.8 -68.7 -29.9 -5.0 6.9 18.4 82 83 A L H X S+ 0 0 25 -4,-1.2 4,-1.9 -3,-0.3 -1,-0.2 0.896 108.4 49.4 -69.8 -41.6 -4.7 9.8 16.0 83 84 A V H X S+ 0 0 2 -4,-1.8 4,-1.0 2,-0.2 18,-0.2 0.950 117.5 39.0 -61.7 -50.4 -1.5 8.5 14.4 84 85 A H H X S+ 0 0 30 -4,-2.1 4,-1.7 1,-0.2 3,-0.3 0.892 115.7 51.8 -68.5 -40.9 -2.9 5.0 13.9 85 86 A D H X S+ 0 0 22 -4,-2.0 4,-3.2 -5,-0.2 6,-0.2 0.841 105.2 56.5 -65.3 -33.2 -6.4 6.2 12.8 86 87 A D H X>S+ 0 0 2 -4,-1.9 5,-1.6 2,-0.2 4,-0.5 0.823 104.9 52.8 -66.3 -30.7 -4.9 8.5 10.3 87 88 A I H <5S+ 0 0 36 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.914 115.3 40.8 -68.3 -43.4 -3.1 5.5 8.7 88 89 A M H <5S+ 0 0 85 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.920 115.6 47.3 -71.2 -47.5 -6.4 3.7 8.4 89 90 A D H <5S- 0 0 93 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.546 105.3-126.5 -72.5 -8.2 -8.6 6.6 7.4 90 91 A M T <5 - 0 0 151 -4,-0.5 2,-0.3 -5,-0.2 -3,-0.2 0.867 40.6-174.6 62.1 35.2 -6.0 7.5 4.7 91 92 A D < - 0 0 54 -5,-1.6 8,-0.2 -6,-0.2 -1,-0.2 -0.451 15.8-161.6 -67.6 122.6 -6.0 11.1 6.2 92 93 A E + 0 0 113 -2,-0.3 7,-2.1 1,-0.2 2,-0.4 0.978 68.1 6.9 -70.8 -57.3 -3.8 13.3 4.2 93 94 A T - 0 0 68 5,-0.2 -1,-0.2 2,-0.1 2,-0.2 -0.934 55.8-156.1-141.0 117.1 -3.2 16.2 6.6 94 95 A R S > S- 0 0 71 -2,-0.4 3,-2.5 3,-0.4 -8,-0.0 -0.601 78.6 -19.7 -76.8 146.0 -4.0 16.8 10.2 95 96 A R T 3 S- 0 0 149 1,-0.3 -2,-0.1 -2,-0.2 4,-0.1 -0.223 126.8 -38.4 52.6-140.4 -4.2 20.5 11.1 96 97 A G T 3 S+ 0 0 73 -53,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.052 125.3 74.9-102.1 23.8 -2.4 22.5 8.5 97 98 A K S < S- 0 0 121 -3,-2.5 -3,-0.4 1,-0.1 -54,-0.0 -0.898 88.7 -86.4-133.3 162.9 0.4 19.8 8.1 98 99 A P - 0 0 54 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.246 51.2-103.6 -59.3 151.4 1.0 16.4 6.6 99 100 A T > - 0 0 0 -7,-2.1 4,-1.8 -8,-0.2 3,-0.2 -0.329 30.6-106.1 -75.9 163.1 0.1 13.3 8.7 100 101 A V H >>S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.5 0.935 117.9 50.7 -56.7 -47.0 2.7 11.2 10.5 101 102 A H H >5S+ 0 0 24 1,-0.2 4,-1.4 -18,-0.2 -1,-0.2 0.867 108.5 51.7 -64.2 -31.6 2.4 8.3 8.1 102 103 A R H 45S+ 0 0 126 -3,-0.2 -1,-0.2 -11,-0.2 -2,-0.2 0.863 116.2 40.5 -72.2 -34.3 2.8 10.5 5.0 103 104 A I H <5S+ 0 0 75 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.1 0.914 134.6 17.2 -78.7 -47.0 6.0 12.2 6.4 104 105 A W H <5S- 0 0 69 -4,-2.6 4,-0.5 1,-0.2 -3,-0.2 0.477 112.5-108.2-106.3 -5.1 7.7 9.2 7.9 105 106 A G X< - 0 0 30 -4,-1.4 4,-1.6 -5,-0.5 -1,-0.2 -0.130 35.4 -75.9 96.3 162.0 5.9 6.3 6.2 106 107 A V H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.894 125.5 52.0 -64.1 -43.9 3.3 3.8 7.5 107 108 A N H > S+ 0 0 135 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 112.9 42.9 -61.6 -49.3 5.8 1.6 9.3 108 109 A M H > S+ 0 0 51 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.830 113.0 55.2 -67.7 -29.3 7.4 4.4 11.3 109 110 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.894 106.3 50.3 -68.9 -40.0 3.9 5.9 11.9 110 111 A I H X S+ 0 0 70 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.974 112.8 46.9 -60.9 -51.5 2.8 2.6 13.4 111 112 A L H X S+ 0 0 91 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.841 109.6 53.5 -57.9 -37.4 5.8 2.5 15.7 112 113 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.920 109.2 48.8 -64.8 -44.1 5.3 6.2 16.7 113 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.916 111.8 50.6 -59.7 -42.2 1.7 5.3 17.7 114 115 A D H X S+ 0 0 75 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.895 110.2 48.5 -62.3 -42.6 3.1 2.4 19.6 115 116 A L H X S+ 0 0 24 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.914 110.5 51.3 -64.3 -44.4 5.7 4.5 21.4 116 117 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.901 111.5 47.7 -58.6 -41.8 3.0 7.1 22.3 117 118 A F H X S+ 0 0 48 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.930 111.5 50.4 -65.5 -47.1 0.8 4.3 23.7 118 119 A S H X S+ 0 0 76 -4,-2.6 4,-1.4 1,-0.2 3,-0.3 0.879 109.0 51.6 -58.4 -39.9 3.7 2.8 25.7 119 120 A K H X S+ 0 0 16 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.848 97.3 66.4 -77.4 -19.6 4.6 6.2 27.2 120 121 A A H X S+ 0 0 1 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.932 107.1 43.0 -57.3 -41.7 1.0 6.8 28.3 121 122 A F H X S+ 0 0 59 -4,-1.1 4,-2.2 -3,-0.3 -1,-0.2 0.778 108.8 56.1 -78.7 -24.0 1.5 3.9 30.7 122 123 A E H X S+ 0 0 63 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.909 108.8 49.4 -72.4 -29.0 5.0 5.2 31.7 123 124 A A H < S+ 0 0 0 -4,-2.7 4,-0.5 2,-0.2 -2,-0.2 0.893 108.2 53.1 -68.2 -40.1 3.1 8.4 32.6 124 125 A V H >< S+ 0 0 8 -4,-1.7 3,-0.9 -5,-0.2 -1,-0.2 0.897 108.4 50.6 -61.6 -41.0 0.6 6.4 34.6 125 126 A A H 3< S+ 0 0 56 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.907 103.8 57.4 -64.8 -43.3 3.5 4.7 36.5 126 127 A R T 3< S+ 0 0 102 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.561 81.8 121.4 -65.2 -8.5 5.1 8.1 37.4 127 128 A A < - 0 0 6 -3,-0.9 2,-0.7 -4,-0.5 -60,-0.1 -0.208 62.2-137.2 -57.6 148.9 1.9 9.2 39.1 128 129 A E + 0 0 79 -62,-0.4 -1,-0.1 6,-0.0 -2,-0.1 -0.735 56.7 116.2-109.8 80.2 2.2 10.2 42.7 129 130 A I S S- 0 0 22 -2,-0.7 62,-0.0 -62,-0.0 -62,-0.0 -0.954 71.1 -74.3-144.7 162.2 -0.9 8.6 44.3 130 131 A P > - 0 0 70 0, 0.0 4,-3.1 0, 0.0 3,-0.3 -0.226 47.8-114.4 -54.5 142.9 -2.0 6.0 46.9 131 132 A P H > S+ 0 0 105 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.863 117.5 51.3 -46.6 -44.1 -1.6 2.4 45.6 132 133 A E H > S+ 0 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-1,-0.2 1,-0.3 -2,-0.2 0.790 103.9 57.2 -40.1 -39.8 -10.9 9.3 41.6 191 192 A I H 3< S+ 0 0 23 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.707 122.7 22.8 -71.1 -17.9 -7.7 11.2 42.1 192 193 A G H << S+ 0 0 26 -3,-3.7 2,-0.3 -4,-0.6 -2,-0.2 0.404 120.8 42.7-129.6 2.5 -9.3 13.7 44.4 193 194 A T < - 0 0 15 -4,-1.6 -1,-0.2 -5,-0.1 -132,-0.1 -0.994 42.3-161.2-155.6 144.2 -12.5 12.0 45.8 194 195 A D + 0 0 126 -2,-0.3 2,-1.0 -134,-0.1 -4,-0.1 0.023 60.8 118.5-107.4 24.0 -13.8 8.8 47.3 195 196 A N >> - 0 0 55 1,-0.2 4,-2.0 -6,-0.1 3,-1.0 -0.783 48.7-164.4 -95.2 100.4 -17.4 9.8 46.7 196 197 A E H 3> S+ 0 0 99 -2,-1.0 4,-1.3 1,-0.3 -1,-0.2 0.665 88.2 60.4 -59.2 -15.0 -18.8 7.2 44.3 197 198 A E H 3> S+ 0 0 107 2,-0.2 4,-1.0 3,-0.1 -1,-0.3 0.859 105.0 46.2 -81.0 -37.7 -21.7 9.5 43.5 198 199 A Y H X> S+ 0 0 46 -3,-1.0 4,-3.3 2,-0.2 3,-0.8 0.966 112.4 50.5 -60.5 -55.1 -19.4 12.2 42.2 199 200 A I H 3X S+ 0 0 2 -4,-2.0 4,-2.9 1,-0.3 5,-0.2 0.882 109.4 50.6 -53.5 -41.9 -17.4 9.8 40.1 200 201 A K H 3X S+ 0 0 139 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0 0 65 -5,-2.8 2,-0.9 -6,-0.1 -1,-0.2 -0.636 30.7-124.8 -83.0 136.5 -18.4 8.8 6.6 242 243 A K + 0 0 25 -2,-0.3 2,-0.2 -87,-0.1 -1,-0.1 -0.701 46.0 158.7 -83.0 104.3 -20.9 7.0 8.9 243 244 A T > - 0 0 3 -2,-0.9 4,-1.8 -25,-0.1 5,-0.1 -0.638 57.4-101.4-115.9 176.2 -22.3 9.7 11.2 244 245 A L H > S+ 0 0 2 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.802 122.2 57.9 -68.6 -28.4 -25.5 9.9 13.3 245 246 A I H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 108.1 43.8 -66.1 -45.8 -27.0 12.1 10.5 246 247 A V H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.847 112.3 53.6 -69.4 -34.5 -26.4 9.5 7.9 247 248 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -81,-0.3 0.922 109.0 48.6 -66.7 -42.9 -27.7 6.7 10.2 248 249 A H H X S+ 0 0 20 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.912 111.6 50.6 -62.6 -41.5 -30.9 8.6 10.8 249 250 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 3,-0.3 0.931 109.8 48.0 -63.1 -47.7 -31.4 9.2 7.1 250 251 A F H < S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.832 112.4 51.8 -61.7 -31.2 -30.9 5.5 6.2 251 252 A E H < S+ 0 0 107 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.797 122.8 27.3 -73.5 -26.8 -33.4 4.6 8.9 252 253 A N H < S+ 0 0 89 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.2 0.649 94.7 100.4-112.4 -17.9 -36.1 7.0 7.7 253 254 A A < - 0 0 9 -4,-2.8 2,-0.1 -5,-0.2 28,-0.0 -0.356 68.7-116.7 -80.5 152.6 -35.7 7.6 4.0 254 255 A D > - 0 0 69 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.372 35.7-100.5 -77.8 165.4 -37.8 5.8 1.3 255 256 A E H > S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.866 119.6 55.4 -53.7 -44.2 -36.1 3.5 -1.2 256 257 A K H > S+ 0 0 160 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.935 113.5 40.8 -56.9 -48.6 -36.0 6.0 -4.0 257 258 A D H > S+ 0 0 5 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.936 112.3 55.3 -67.7 -44.9 -34.1 8.5 -1.9 258 259 A K H X S+ 0 0 40 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.877 110.3 46.4 -47.6 -51.7 -31.8 5.9 -0.2 259 260 A Q H X S+ 0 0 100 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.838 113.7 46.3 -69.0 -37.6 -30.7 4.7 -3.6 260 261 A R H X S+ 0 0 78 -4,-1.7 4,-1.7 -5,-0.2 3,-0.2 0.916 111.5 52.2 -70.8 -42.5 -30.0 8.1 -5.1 261 262 A F H < S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.878 107.3 54.1 -56.6 -38.1 -28.2 9.2 -1.9 262 263 A L H >< S+ 0 0 43 -4,-1.7 3,-0.9 -5,-0.2 -1,-0.2 0.819 102.6 56.3 -70.8 -31.0 -26.0 6.1 -2.2 263 264 A K H 3< S+ 0 0 134 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.953 116.4 35.7 -60.3 -47.7 -25.0 6.9 -5.7 264 265 A I T 3< S+ 0 0 8 -4,-1.7 2,-0.5 9,-0.1 -1,-0.2 0.035 99.9 101.2 -98.2 27.3 -23.7 10.3 -4.6 265 266 A F S < S- 0 0 18 -3,-0.9 -27,-0.2 1,-0.2 -28,-0.1 -0.945 96.7 -10.7-115.6 122.1 -22.4 9.1 -1.3 266 267 A G 0 0 39 -29,-3.0 -28,-0.2 -2,-0.5 -1,-0.2 0.843 360.0 360.0 64.7 30.0 -18.7 8.4 -0.7 267 268 A K 0 0 158 -30,-0.2 -1,-0.2 -3,-0.1 -27,-0.1 -0.564 360.0 360.0 -96.5 360.0 -18.0 8.7 -4.4 268 ! 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 0.0 269 282 A D > 0 0 173 0, 0.0 4,-1.0 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-124.4 -20.0 18.6 -11.0 270 283 A I H > + 0 0 87 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.760 360.0 69.1 -77.3 -26.4 -19.5 17.6 -7.4 271 284 A K H > S+ 0 0 180 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 102.7 47.2 -57.2 -43.6 -21.0 20.8 -5.9 272 285 A S H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.884 113.3 45.9 -66.2 -41.8 -24.4 19.7 -7.2 273 286 A D H X S+ 0 0 34 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.884 111.5 52.3 -70.0 -39.9 -24.2 16.1 -5.9 274 287 A V H X S+ 0 0 17 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.941 114.3 42.8 -59.9 -48.4 -23.0 17.3 -2.5 275 288 A M H X S+ 0 0 120 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.881 110.6 54.8 -66.9 -39.2 -25.9 19.7 -2.2 276 289 A E H X S+ 0 0 60 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.831 110.4 49.1 -62.8 -30.0 -28.4 17.1 -3.6 277 290 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.871 110.3 47.9 -76.6 -40.2 -27.1 14.8 -0.8 278 291 A I H X S+ 0 0 12 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.866 110.2 54.2 -69.0 -33.0 -27.5 17.4 1.9 279 292 A D H X S+ 0 0 85 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.876 104.7 53.6 -66.6 -37.6 -31.0 18.2 0.6 280 293 A L H X S+ 0 0 18 -4,-1.3 4,-0.6 1,-0.2 -1,-0.2 0.879 109.5 49.4 -63.5 -36.9 -31.9 14.5 0.9 281 294 A L H ><>S+ 0 0 0 -4,-1.5 5,-1.7 1,-0.2 3,-0.5 0.857 109.8 49.3 -69.8 -38.4 -30.8 14.6 4.5 282 295 A K H ><5S+ 0 0 120 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.836 97.7 69.7 -70.5 -35.3 -32.8 17.7 5.4 283 296 A K H 3<5S+ 0 0 118 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.847 108.5 36.5 -48.3 -36.7 -35.9 16.2 3.8 284 297 A Y T <<5S- 0 0 52 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.213 113.2-113.6-107.0 12.8 -36.0 13.8 6.7 285 298 A G T <>5 + 0 0 30 -3,-1.9 4,-3.4 1,-0.1 -3,-0.2 0.628 69.9 142.0 71.5 9.5 -34.8 16.1 9.5 286 299 A S H >< + 0 0 0 -5,-1.7 4,-2.1 2,-0.2 5,-0.2 0.891 68.9 45.0 -53.6 -46.2 -31.6 14.0 9.8 287 300 A I H > S+ 0 0 9 -6,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.983 116.4 45.1 -63.5 -54.5 -29.3 17.0 10.4 288 301 A D H > S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.893 109.8 58.5 -53.6 -42.4 -31.6 18.6 12.9 289 302 A Y H X S+ 0 0 71 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.949 108.2 43.1 -52.4 -55.5 -32.2 15.2 14.5 290 303 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.852 110.3 57.2 -61.3 -36.7 -28.4 14.8 15.3 291 304 A A H X S+ 0 0 11 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.919 108.8 46.5 -60.5 -43.1 -28.2 18.4 16.4 292 305 A E H X S+ 0 0 65 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.900 109.1 53.4 -66.8 -43.2 -30.9 17.8 19.0 293 306 A I H X S+ 0 0 43 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.932 110.1 49.1 -57.4 -45.2 -29.3 14.5 20.2 294 307 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.928 112.4 47.0 -60.1 -47.5 -26.1 16.4 20.8 295 308 A K H X S+ 0 0 81 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.906 111.0 52.0 -62.8 -42.5 -27.8 19.2 22.7 296 309 A D H X S+ 0 0 93 -4,-3.0 4,-3.4 1,-0.2 5,-0.2 0.948 108.7 49.6 -59.7 -48.0 -29.7 16.8 24.8 297 310 A M H X S+ 0 0 23 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.857 111.0 51.3 -59.1 -35.1 -26.6 14.8 25.8 298 311 A I H X S+ 0 0 3 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.925 111.5 46.6 -66.7 -45.3 -25.0 18.2 26.7 299 312 A K H X S+ 0 0 127 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.939 113.9 48.1 -62.8 -46.1 -28.0 19.1 28.9 300 313 A K H < S+ 0 0 96 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 109.8 54.2 -61.8 -39.1 -28.0 15.7 30.5 301 314 A A H >< S+ 0 0 0 -4,-2.3 3,-1.1 -5,-0.2 4,-0.4 0.946 114.5 37.2 -61.1 -53.2 -24.2 15.9 31.1 302 315 A N H >X S+ 0 0 19 -4,-2.2 3,-2.1 1,-0.3 4,-0.7 0.905 110.8 60.6 -66.9 -41.2 -24.3 19.2 33.0 303 316 A E T 3< S+ 0 0 104 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.481 103.5 55.3 -65.1 1.2 -27.6 18.3 34.7 304 317 A A T X4 S+ 0 0 9 -3,-1.1 3,-0.5 -5,-0.1 -1,-0.3 0.546 97.6 59.6-106.9 -15.2 -25.5 15.4 36.1 305 318 A L G X4 S+ 0 0 0 -3,-2.1 3,-1.8 -4,-0.4 -2,-0.2 0.516 79.0 91.1 -87.8 -10.7 -22.8 17.7 37.5 306 319 A R G 3< S+ 0 0 148 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.816 75.9 67.1 -47.9 -32.7 -25.5 19.3 39.6 307 320 A I G < S+ 0 0 101 -3,-0.5 -1,-0.3 -110,-0.1 -2,-0.1 0.777 89.3 77.6 -65.8 -28.6 -24.6 16.8 42.2 308 321 A L S < S- 0 0 3 -3,-1.8 -248,-0.1 1,-0.1 3,-0.1 -0.437 93.2 -94.6 -80.1 160.0 -21.2 18.3 42.8 309 322 A P - 0 0 71 0, 0.0 2,-0.5 0, 0.0 5,-0.2 -0.164 47.4 -89.2 -67.6 162.6 -20.6 21.5 44.8 310 323 A K + 0 0 152 4,-0.1 2,-0.3 3,-0.1 -4,-0.0 -0.657 66.4 137.1 -76.8 121.8 -20.5 24.9 43.3 311 324 A S > - 0 0 32 -2,-0.5 4,-1.3 -3,-0.1 -252,-0.1 -0.936 66.8-106.4-148.5 172.4 -17.0 25.8 42.2 312 325 A K H > S+ 0 0 143 -2,-0.3 4,-2.6 2,-0.2 5,-0.1 0.681 119.3 62.1 -76.8 -15.6 -15.4 27.5 39.2 313 326 A A H > S+ 0 0 0 2,-0.2 4,-2.3 -255,-0.2 5,-0.2 0.981 105.3 42.7 -70.5 -51.4 -14.1 24.0 38.3 314 327 A R H > S+ 0 0 44 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.871 112.4 59.8 -55.5 -34.3 -17.6 22.7 37.9 315 328 A M H >X S+ 0 0 76 -4,-1.3 4,-2.8 2,-0.2 3,-0.6 0.961 104.8 45.0 -59.7 -53.9 -18.2 26.0 36.2 316 329 A D H 3X S+ 0 0 14 -4,-2.6 4,-3.4 1,-0.3 5,-0.2 0.889 110.7 54.5 -59.1 -40.2 -15.6 25.4 33.5 317 330 A L H 3X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.3 0.799 112.1 45.0 -64.6 -28.3 -16.9 21.8 33.0 318 331 A E H < S+ 0 0 85 -4,-1.9 3,-0.8 1,-0.2 4,-0.4 0.867 113.3 48.7 -72.4 -36.2 -22.0 24.2 26.6 323 336 A F H >X S+ 0 0 45 -4,-3.2 4,-1.9 1,-0.2 3,-1.7 0.923 100.3 64.4 -66.4 -45.7 -19.3 25.5 24.2 324 337 A I T 3< S+ 0 0 7 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.684 112.8 36.1 -54.0 -16.3 -18.7 22.2 22.6 325 338 A V T <4 S+ 0 0 12 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.410 115.7 50.1-118.0 -0.4 -22.3 22.4 21.3 326 339 A E T <4 S+ 0 0 111 -3,-1.7 -2,-0.2 -4,-0.4 -3,-0.1 0.621 88.7 96.1-109.7 -19.7 -22.7 26.2 20.5 327 340 A R < 0 0 51 -4,-1.9 -107,-0.0 -5,-0.1 -3,-0.0 -0.025 360.0 360.0 -64.5 168.8 -19.6 26.8 18.5 328 341 A E 0 0 120 -100,-0.0 -1,-0.1 -104,-0.0 -2,-0.1 -0.759 360.0 360.0-125.4 360.0 -19.4 26.8 14.7