==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-JUN-09 3HXD . COMPND 2 MOLECULE: GERANYLGERANYL TRANSFERASE TYPE-2 SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Z.GUO,K.ALEXANDROV,H.WALDMANN,R.S.GOODY,W.BLANKENFELDT . 633 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 466 73.6 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 . 18 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 20 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 52.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 1 0 1 0 3 2 1 1 7 7 0 1 1 0 0 2 1 0 0 1 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 . 9 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 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 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 17 A K > 0 0 132 0, 0.0 4,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.3 -4.1 12.9 48.9 2 18 A R H >> + 0 0 86 1,-0.2 4,-1.1 2,-0.2 3,-0.8 0.923 360.0 50.9 -63.4 -48.4 -5.3 16.5 48.5 3 19 A L H 3> S+ 0 0 85 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.846 105.4 57.4 -59.4 -36.8 -3.7 17.8 51.7 4 20 A E H 3> S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.752 98.1 60.8 -67.9 -26.7 -0.3 16.2 50.7 5 21 A R H S+ 0 0 48 -4,-2.3 5,-2.8 1,-0.2 4,-0.5 0.821 108.6 55.3 -59.2 -33.8 21.2 31.8 47.2 23 39 A R H ><5S+ 0 0 55 -4,-1.7 3,-1.0 2,-0.2 -2,-0.2 0.921 106.5 46.3 -71.4 -47.1 21.9 32.5 43.5 24 40 A Q H 3<5S+ 0 0 185 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 110.3 57.0 -60.8 -36.9 21.6 36.3 43.6 25 41 A A H 3<5S- 0 0 62 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.666 114.1-120.8 -65.2 -18.8 23.8 36.1 46.8 26 42 A G T <<5 + 0 0 52 -3,-1.0 2,-1.5 -4,-0.5 -3,-0.2 0.766 59.4 152.6 78.3 27.5 26.5 34.3 44.7 27 43 A E < + 0 0 84 -5,-2.8 2,-1.8 -6,-0.1 5,-0.2 -0.577 14.7 174.0 -90.1 71.9 26.4 31.3 47.1 28 44 A L + 0 0 49 -2,-1.5 2,-0.2 -3,-0.1 -1,-0.1 -0.590 35.2 121.2 -79.0 80.9 27.5 28.7 44.5 29 45 A D S >> S- 0 0 47 -2,-1.8 3,-1.3 30,-0.0 4,-0.9 -0.751 78.9 -83.0-139.6-176.7 27.7 25.8 47.0 30 46 A E H 3> S+ 0 0 92 1,-0.3 4,-2.2 -2,-0.2 5,-0.1 0.690 114.5 70.5 -68.3 -22.6 26.5 22.3 47.9 31 47 A S H 3> S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.857 99.0 51.2 -61.0 -33.2 23.3 23.6 49.6 32 48 A V H <> S+ 0 0 7 -3,-1.3 4,-2.9 2,-0.2 5,-0.3 0.900 106.7 51.7 -70.2 -43.9 22.1 24.5 46.1 33 49 A L H X S+ 0 0 16 -4,-0.9 4,-1.8 1,-0.2 -2,-0.2 0.892 111.4 50.5 -56.9 -39.1 22.8 21.0 44.8 34 50 A E H X S+ 0 0 109 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.941 113.0 43.3 -63.7 -49.9 20.8 19.7 47.8 35 51 A L H X S+ 0 0 28 -4,-2.3 4,-1.6 1,-0.2 3,-0.4 0.928 114.4 48.7 -66.5 -45.6 17.8 22.0 47.2 36 52 A T H X S+ 0 0 0 -4,-2.9 4,-3.6 1,-0.2 5,-0.4 0.864 103.5 61.3 -63.9 -34.8 17.7 21.4 43.4 37 53 A S H X S+ 0 0 37 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.2 0.886 105.3 49.3 -59.9 -36.7 17.9 17.6 43.9 38 54 A Q H X S+ 0 0 94 -4,-1.2 4,-0.8 -3,-0.4 -1,-0.2 0.938 118.8 37.4 -63.6 -46.3 14.6 17.8 45.8 39 55 A I H >X S+ 0 0 3 -4,-1.6 4,-2.2 1,-0.2 3,-0.5 0.918 113.7 52.5 -77.1 -45.1 12.9 19.9 43.1 40 56 A L H 3< S+ 0 0 0 -4,-3.6 -1,-0.2 1,-0.2 -3,-0.2 0.757 100.1 65.3 -67.2 -25.0 14.4 18.4 39.9 41 57 A G H 3< S+ 0 0 31 -4,-1.1 -1,-0.2 -5,-0.4 -2,-0.2 0.918 116.0 27.2 -59.1 -46.3 13.4 14.9 41.1 42 58 A A H << S+ 0 0 71 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.742 136.3 31.6 -84.4 -27.9 9.7 15.8 40.8 43 59 A N >< + 0 0 20 -4,-2.2 3,-1.6 -5,-0.1 -1,-0.2 -0.582 59.1 162.1-139.7 69.0 10.1 18.4 38.1 44 60 A P T 3 S+ 0 0 9 0, 0.0 48,-0.1 0, 0.0 -1,-0.1 0.584 72.2 70.5 -69.3 -11.5 13.0 17.7 35.7 45 61 A D T 3 + 0 0 59 1,-0.1 2,-1.8 47,-0.1 3,-0.1 0.446 66.0 107.3 -85.4 0.6 11.6 20.2 33.1 46 62 A F X> - 0 0 2 -3,-1.6 3,-1.0 1,-0.2 4,-0.9 -0.568 51.4-178.7 -75.7 81.1 12.5 23.1 35.4 47 63 A A H 3> + 0 0 41 -2,-1.8 4,-2.0 1,-0.3 3,-0.4 0.795 69.3 62.9 -58.2 -38.0 15.5 24.1 33.1 48 64 A T H 3> S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.853 101.3 54.5 -60.5 -34.2 16.8 27.1 35.2 49 65 A L H <> S+ 0 0 0 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.842 104.5 52.1 -70.0 -34.0 17.6 24.7 38.0 50 66 A W H X S+ 0 0 2 -4,-0.9 4,-2.1 -3,-0.4 -1,-0.2 0.895 108.9 52.7 -63.7 -38.8 19.7 22.4 35.7 51 67 A N H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.908 107.4 51.9 -58.6 -43.3 21.5 25.7 34.8 52 68 A C H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.900 106.7 52.1 -61.6 -44.0 22.1 26.3 38.5 53 69 A R H X S+ 0 0 11 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.945 110.2 49.1 -58.7 -45.9 23.5 22.8 39.0 54 70 A R H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.881 110.1 50.6 -60.9 -40.5 26.0 23.4 36.2 55 71 A E H X S+ 0 0 48 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.883 113.0 46.6 -65.5 -38.2 27.0 26.8 37.6 56 72 A V H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.924 114.0 46.8 -67.9 -46.0 27.6 25.2 41.0 57 73 A L H X S+ 0 0 11 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.906 112.8 50.1 -65.3 -41.3 29.6 22.3 39.6 58 74 A Q H X S+ 0 0 82 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.933 114.2 45.1 -58.4 -45.9 31.6 24.7 37.4 59 75 A H H >X S+ 0 0 62 -4,-2.0 4,-1.1 1,-0.2 3,-0.7 0.890 112.3 50.0 -67.0 -42.9 32.4 26.9 40.5 60 76 A L H 3< S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.826 99.6 67.1 -65.9 -32.8 33.2 23.9 42.8 61 77 A E H >< S+ 0 0 103 -4,-1.9 3,-0.6 -5,-0.2 -1,-0.2 0.825 101.9 48.8 -52.6 -35.9 35.6 22.5 40.1 62 78 A T H << S+ 0 0 105 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.908 116.2 38.4 -75.1 -44.6 37.9 25.5 40.7 63 79 A E T 3< S+ 0 0 127 -4,-1.1 2,-0.3 2,-0.1 -1,-0.2 -0.153 107.3 72.9-105.5 38.6 38.1 25.5 44.5 64 80 A K S < S- 0 0 55 -3,-0.6 0, 0.0 2,-0.0 0, 0.0 -0.973 81.4-100.4-144.3 159.4 38.2 21.7 45.1 65 81 A S > - 0 0 47 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.295 37.0-106.8 -74.0 159.9 40.8 18.9 44.6 66 82 A P H > S+ 0 0 120 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.886 123.3 48.9 -49.7 -42.7 40.8 16.5 41.6 67 83 A E H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.864 110.9 48.7 -69.6 -39.7 39.5 13.7 44.0 68 84 A E H > S+ 0 0 92 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.868 113.5 47.6 -64.3 -38.4 36.8 15.9 45.4 69 85 A S H X S+ 0 0 12 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.857 109.7 52.6 -72.1 -36.5 35.7 16.9 41.8 70 86 A A H X S+ 0 0 51 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.888 109.4 50.3 -62.1 -41.1 35.8 13.3 40.7 71 87 A A H X S+ 0 0 61 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.889 109.1 51.1 -63.5 -41.8 33.5 12.5 43.7 72 88 A L H X S+ 0 0 34 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.898 110.0 50.0 -63.2 -40.0 31.1 15.3 42.7 73 89 A V H X S+ 0 0 25 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.911 109.7 49.5 -66.9 -44.2 30.9 14.0 39.1 74 90 A K H X S+ 0 0 159 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.895 110.8 50.7 -62.2 -39.0 30.2 10.4 40.3 75 91 A A H X S+ 0 0 61 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.875 109.1 52.6 -63.3 -36.8 27.4 11.8 42.6 76 92 A E H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.900 105.7 52.6 -67.1 -41.4 26.1 13.7 39.6 77 93 A L H X S+ 0 0 21 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.894 111.4 47.5 -60.4 -41.2 25.9 10.6 37.4 78 94 A G H X S+ 0 0 37 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.904 111.0 50.3 -66.9 -43.8 23.9 8.8 40.1 79 95 A F H X S+ 0 0 31 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.940 111.5 49.6 -58.6 -45.9 21.6 11.7 40.6 80 96 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.889 109.5 50.1 -60.9 -45.0 21.0 11.8 36.8 81 97 A E H X S+ 0 0 26 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.886 109.9 50.9 -62.5 -39.9 20.3 8.1 36.5 82 98 A S H X S+ 0 0 45 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.871 111.3 48.8 -64.7 -37.9 17.7 8.3 39.4 83 99 A C H X S+ 0 0 7 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.886 109.8 52.0 -66.6 -40.4 16.0 11.2 37.6 84 100 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.869 103.5 57.0 -65.9 -38.3 15.9 9.3 34.3 85 101 A R H < S+ 0 0 160 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.837 112.8 42.1 -59.4 -35.0 14.3 6.2 35.9 86 102 A V H < S+ 0 0 112 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.906 136.8 10.8 -79.2 -48.1 11.4 8.4 37.1 87 103 A N >< + 0 0 48 -4,-2.5 3,-0.9 -5,-0.1 -1,-0.2 -0.766 63.7 174.1-133.5 90.5 11.1 10.5 33.9 88 104 A P T 3 S+ 0 0 39 0, 0.0 41,-0.1 0, 0.0 40,-0.1 0.402 75.4 62.8 -74.9 4.8 13.1 9.0 30.9 89 105 A K T 3 + 0 0 102 39,-0.1 2,-0.5 -5,-0.1 -5,-0.1 0.021 69.7 122.6-120.2 25.1 11.6 11.5 28.4 90 106 A S <> - 0 0 0 -3,-0.9 4,-1.7 1,-0.1 5,-0.2 -0.809 48.4-156.4 -93.9 124.0 12.9 14.8 29.9 91 107 A Y H > S+ 0 0 62 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.867 93.0 54.6 -59.4 -42.1 15.0 17.0 27.5 92 108 A G H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.862 107.7 47.5 -65.6 -38.3 16.7 18.8 30.4 93 109 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.940 113.1 46.9 -72.1 -47.8 17.9 15.6 32.1 94 110 A W H X S+ 0 0 13 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.883 113.0 50.9 -61.3 -38.9 19.4 14.0 29.0 95 111 A H H X S+ 0 0 31 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.892 107.0 52.9 -66.7 -38.9 21.1 17.3 28.1 96 112 A H H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.895 108.3 51.2 -63.2 -38.6 22.7 17.7 31.5 97 113 A R H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.918 111.9 46.6 -63.4 -44.5 24.1 14.1 31.2 98 114 A C H X S+ 0 0 31 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.922 112.3 50.3 -59.9 -48.4 25.6 15.1 27.7 99 115 A W H X S+ 0 0 33 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.932 114.2 45.9 -54.1 -47.3 26.9 18.3 29.2 100 116 A L H >X S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.6 0.935 114.0 45.1 -64.5 -51.0 28.5 16.4 32.0 101 117 A L H >< S+ 0 0 4 -4,-2.9 3,-0.8 1,-0.2 -1,-0.2 0.843 106.5 61.3 -63.3 -35.3 30.1 13.6 30.0 102 118 A S H 3< S+ 0 0 65 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.705 107.7 44.1 -66.7 -22.3 31.4 16.0 27.4 103 119 A R H << S+ 0 0 84 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.490 86.9 111.4-103.2 -3.7 33.6 17.7 30.0 104 120 A L << - 0 0 31 -3,-0.8 -3,-0.0 -4,-0.6 -4,-0.0 -0.436 63.9-138.4 -71.1 143.6 35.0 14.7 31.8 105 121 A P S S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.932 97.6 14.2 -65.6 -49.7 38.8 13.9 31.5 106 122 A E S S- 0 0 92 2,-0.0 2,-0.1 -3,-0.0 -3,-0.0 -0.675 80.4-172.7-129.6 80.5 38.2 10.1 31.1 107 123 A P - 0 0 31 0, 0.0 2,-1.2 0, 0.0 3,-0.2 -0.479 25.5-130.4 -73.3 140.9 34.6 9.3 30.4 108 124 A N > + 0 0 97 1,-0.2 4,-1.2 -2,-0.1 3,-0.4 -0.726 31.5 174.2 -89.6 85.9 33.5 5.7 30.4 109 125 A W H > S+ 0 0 41 -2,-1.2 4,-2.4 1,-0.2 5,-0.2 0.843 73.6 61.4 -65.1 -35.4 31.7 5.5 27.1 110 126 A A H > S+ 0 0 72 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.892 103.5 51.2 -59.2 -37.7 31.1 1.7 27.3 111 127 A R H > S+ 0 0 93 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.861 108.9 51.6 -66.0 -35.6 29.1 2.2 30.5 112 128 A E H X S+ 0 0 2 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.896 106.7 52.3 -68.7 -40.6 27.0 4.9 28.7 113 129 A L H X S+ 0 0 33 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.843 109.7 50.6 -62.2 -33.5 26.3 2.6 25.8 114 130 A E H X S+ 0 0 107 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.857 106.3 53.9 -73.7 -37.1 25.1 -0.0 28.3 115 131 A L H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.941 109.4 49.6 -57.2 -46.7 22.8 2.6 30.0 116 132 A C H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.923 108.2 52.1 -59.5 -48.1 21.3 3.2 26.5 117 133 A A H X S+ 0 0 23 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.875 110.7 48.9 -53.8 -41.8 20.7 -0.5 25.9 118 134 A R H X S+ 0 0 107 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.906 112.0 46.9 -68.7 -43.7 18.9 -0.8 29.2 119 135 A F H X S+ 0 0 24 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.852 110.6 53.3 -66.9 -31.8 16.7 2.2 28.6 120 136 A L H < S+ 0 0 1 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.749 102.7 58.1 -75.9 -24.0 15.9 0.8 25.1 121 137 A E H < S+ 0 0 139 -4,-1.4 3,-0.3 -5,-0.2 -1,-0.2 0.867 110.8 43.7 -64.0 -38.9 14.9 -2.5 26.7 122 138 A A H < S+ 0 0 87 -4,-1.3 2,-0.3 1,-0.3 -2,-0.2 0.879 137.2 6.8 -75.6 -40.5 12.3 -0.5 28.7 123 139 A D >< - 0 0 43 -4,-2.2 3,-1.6 -5,-0.1 -1,-0.3 -0.805 60.2-171.7-146.8 99.6 11.1 1.7 25.8 124 140 A E T 3 S+ 0 0 11 -2,-0.3 39,-0.1 -3,-0.3 -4,-0.1 0.535 88.6 55.1 -69.7 -6.9 12.5 0.8 22.3 125 141 A R T 3 + 0 0 8 38,-0.1 2,-1.0 37,-0.1 -1,-0.3 0.248 69.2 126.6-107.6 8.7 10.8 4.1 21.0 126 142 A N <> - 0 0 3 -3,-1.6 4,-2.0 1,-0.2 3,-0.3 -0.591 38.1-172.1 -73.2 102.5 12.5 6.5 23.4 127 143 A F H > S+ 0 0 25 -2,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.773 81.3 61.5 -71.2 -27.2 14.0 9.0 20.9 128 144 A H H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 108.6 43.9 -60.2 -43.4 15.8 10.9 23.7 129 145 A C H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.879 112.4 50.3 -73.1 -40.1 17.7 7.7 24.4 130 146 A W H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.916 112.1 49.3 -59.9 -43.7 18.4 6.8 20.8 131 147 A D H X S+ 0 0 10 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.907 111.5 48.5 -60.6 -44.8 19.7 10.4 20.3 132 148 A Y H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.890 108.5 54.5 -62.3 -40.5 21.9 10.0 23.4 133 149 A R H X S+ 0 0 15 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.862 107.3 50.1 -61.7 -37.3 23.1 6.6 22.0 134 150 A R H X S+ 0 0 37 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.870 109.5 51.9 -66.2 -38.0 24.2 8.4 18.8 135 151 A F H X S+ 0 0 41 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.943 113.0 44.0 -62.4 -49.4 26.0 11.0 20.8 136 152 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.882 111.6 53.8 -62.3 -41.8 27.9 8.3 22.7 137 153 A A H <>S+ 0 0 8 -4,-2.4 5,-3.1 -5,-0.2 -1,-0.2 0.897 112.8 44.1 -61.5 -40.9 28.6 6.3 19.5 138 154 A A H ><5S+ 0 0 73 -4,-2.1 3,-1.8 3,-0.2 -2,-0.2 0.964 113.6 49.0 -67.4 -53.7 30.1 9.5 17.9 139 155 A Q H 3<5S+ 0 0 100 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.827 117.4 42.0 -55.8 -36.3 32.1 10.5 21.0 140 156 A A T 3<5S- 0 0 40 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.332 109.5-123.8 -93.6 5.9 33.5 6.9 21.4 141 157 A A T < 5 - 0 0 88 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.891 41.9-179.9 48.8 47.2 34.1 6.5 17.6 142 158 A V < - 0 0 38 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.0 -0.652 27.9-116.7 -76.5 131.8 31.9 3.4 17.4 143 159 A A >> - 0 0 37 -2,-0.4 4,-1.6 1,-0.1 3,-1.0 -0.384 12.8-119.3 -74.9 144.5 31.8 2.1 13.8 144 160 A P H 3> S+ 0 0 33 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.796 112.2 61.8 -45.2 -36.9 28.5 1.9 11.7 145 161 A A H 3> S+ 0 0 47 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.880 102.8 48.3 -63.2 -40.3 29.0 -1.9 11.5 146 162 A E H <> S+ 0 0 114 -3,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.924 112.8 47.9 -65.8 -44.9 28.7 -2.4 15.3 147 163 A E H X S+ 0 0 7 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.819 107.0 58.2 -65.5 -30.7 25.6 -0.2 15.5 148 164 A L H X S+ 0 0 29 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.901 105.2 49.3 -64.6 -41.8 24.1 -2.1 12.5 149 165 A A H X S+ 0 0 63 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-2,-0.2 0.788 112.7 40.6 -61.4 -27.3 18.3 3.9 7.2 170 186 A C H << S+ 0 0 32 -4,-1.1 4,-0.5 -3,-1.0 -1,-0.2 0.750 116.2 48.7 -89.2 -30.0 21.0 6.2 8.5 171 187 A L H >X S+ 0 0 4 -4,-1.9 4,-1.3 -5,-0.2 3,-0.7 0.886 102.0 60.8 -79.4 -42.4 23.7 3.6 9.2 172 188 A L H >X S+ 0 0 5 -4,-2.7 4,-0.9 1,-0.3 3,-0.7 0.913 101.7 51.8 -54.6 -51.0 23.5 1.8 5.8 173 189 A P H 34 S+ 0 0 51 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.812 107.0 56.4 -54.8 -29.4 24.5 4.8 3.7 174 190 A Q H <4 S+ 0 0 109 -3,-0.7 -2,-0.2 -4,-0.5 -3,-0.1 0.794 103.2 51.9 -73.2 -31.2 27.5 5.3 6.1 175 191 A L H << S+ 0 0 59 -4,-1.3 -1,-0.2 -3,-0.7 -3,-0.1 0.666 124.8 29.7 -73.8 -18.7 28.8 1.8 5.3 176 192 A H S < S- 0 0 76 -4,-0.9 2,-0.4 -3,-0.2 -1,-0.3 -0.528 90.4-169.3-137.5 64.6 28.5 2.6 1.6 177 193 A P + 0 0 105 0, 0.0 -3,-0.1 0, 0.0 -5,-0.0 -0.462 8.7 175.0 -76.2 117.7 29.1 6.4 1.6 178 194 A Q 0 0 83 -2,-0.4 -2,-0.1 -5,-0.2 4,-0.0 -0.757 360.0 360.0-110.3 159.8 28.4 8.2 -1.7 179 195 A P 0 0 185 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.841 360.0 360.0 -49.7 360.0 28.5 12.0 -2.5 180 ! 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 0.0 181 202 A R 0 0 116 0, 0.0 37,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 62.4 20.9 5.2 -3.4 182 203 A L - 0 0 20 35,-0.2 2,-0.1 1,-0.1 -10,-0.0 -0.200 360.0 -94.7 -66.9 152.6 22.2 1.9 -1.9 183 204 A P > - 0 0 50 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.378 37.4-117.2 -59.4 146.3 24.3 -0.7 -3.8 184 205 A E H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.835 112.0 54.3 -60.9 -36.9 22.1 -3.5 -5.3 185 206 A N H > S+ 0 0 107 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.936 112.8 43.6 -63.1 -44.4 23.7 -6.3 -3.2 186 207 A V H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.907 112.9 52.8 -62.7 -45.2 23.0 -4.4 0.0 187 208 A L H X S+ 0 0 2 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.909 107.1 51.8 -58.8 -45.0 19.5 -3.4 -1.2 188 209 A L H X S+ 0 0 21 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.872 110.2 48.4 -62.4 -40.3 18.6 -7.1 -1.9 189 210 A K H X S+ 0 0 139 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.911 112.9 48.7 -63.2 -44.0 19.7 -8.1 1.6 190 211 A E H X S+ 0 0 7 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.912 108.8 52.7 -64.0 -43.2 17.6 -5.3 3.1 191 212 A L H X S+ 0 0 2 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.888 110.4 48.9 -56.7 -40.4 14.6 -6.3 1.0 192 213 A E H X S+ 0 0 127 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.930 111.8 48.5 -67.3 -44.7 14.9 -9.8 2.3 193 214 A L H X S+ 0 0 43 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.922 115.3 43.2 -61.1 -45.8 15.2 -8.6 5.9 194 215 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.886 109.2 56.9 -71.8 -37.7 12.2 -6.3 5.7 195 216 A Q H X S+ 0 0 31 -4,-2.3 4,-1.8 -5,-0.2 5,-0.2 0.902 106.7 50.3 -58.9 -44.2 10.0 -8.9 3.8 196 217 A N H X S+ 0 0 98 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.913 108.9 54.8 -54.1 -46.1 10.6 -11.3 6.7 197 218 A A H X S+ 0 0 17 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.943 111.6 40.0 -57.2 -52.8 9.5 -8.6 9.1 198 219 A F H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.700 114.4 51.7 -81.2 -15.9 6.2 -7.8 7.4 199 220 A F H < S+ 0 0 69 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.729 111.1 50.4 -83.0 -22.6 5.3 -11.5 6.7 200 221 A T H < S+ 0 0 123 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.938 134.3 10.6 -71.1 -51.2 6.0 -12.2 10.4 201 222 A D >< - 0 0 63 -4,-2.4 3,-2.4 -5,-0.2 -1,-0.2 -0.761 66.8-176.8-131.2 89.0 3.8 -9.3 11.5 202 223 A P T 3 S+ 0 0 19 0, 0.0 49,-0.2 0, 0.0 50,-0.1 0.611 84.8 60.7 -57.1 -17.0 1.7 -7.9 8.6 203 224 A N T 3 S+ 0 0 92 48,-0.1 2,-1.1 46,-0.0 3,-0.1 0.475 74.2 107.0 -89.0 -4.4 0.3 -5.2 11.0 204 225 A D X> - 0 0 6 -3,-2.4 4,-0.9 1,-0.2 3,-0.6 -0.612 50.7-170.3 -78.0 101.2 3.8 -3.7 11.7 205 226 A Q H 3> S+ 0 0 18 -2,-1.1 4,-2.0 1,-0.2 5,-0.2 0.789 75.3 70.3 -63.5 -25.1 3.6 -0.4 9.8 206 227 A S H 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 96.5 49.2 -64.8 -41.2 7.4 0.3 10.3 207 228 A A H <> S+ 0 0 0 -3,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.896 110.9 51.6 -62.7 -39.6 8.5 -2.5 8.0 208 229 A W H X S+ 0 0 3 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.872 109.9 48.4 -66.3 -38.9 6.1 -1.3 5.2 209 230 A F H X S+ 0 0 5 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.912 114.3 46.2 -66.3 -43.7 7.4 2.4 5.5 210 231 A Y H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.872 110.0 54.1 -65.4 -39.7 11.0 1.2 5.3 211 232 A H H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.914 103.7 55.8 -63.1 -41.5 10.2 -1.1 2.4 212 233 A R H X S+ 0 0 44 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.899 107.5 49.8 -57.8 -39.1 8.7 1.8 0.5 213 234 A W H >X S+ 0 0 54 -4,-1.4 4,-1.6 2,-0.2 3,-0.9 0.929 108.7 51.6 -62.8 -45.5 12.0 3.6 0.9 214 235 A L H 3< S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.864 103.8 58.4 -59.9 -38.1 14.0 0.6 -0.4 215 236 A L H 3< S+ 0 0 37 -4,-2.3 3,-0.3 1,-0.2 -1,-0.3 0.732 111.4 42.4 -62.2 -26.1 11.7 0.5 -3.5 216 237 A G H << S+ 0 0 65 -3,-0.9 2,-0.7 -4,-0.8 -2,-0.2 0.718 96.3 77.4 -88.1 -24.9 12.9 4.0 -4.2 217 238 A A S < S+ 0 0 7 -4,-1.6 -35,-0.2 -5,-0.1 -1,-0.2 0.013 81.0 99.1 -77.5 32.2 16.6 3.4 -3.4 218 239 A G S S- 0 0 33 -2,-0.7 3,-0.1 -3,-0.3 -3,-0.0 -0.263 81.5-110.8-107.5-166.3 17.1 1.7 -6.7 219 240 A S S S- 0 0 76 1,-0.3 3,-0.1 -2,-0.1 -2,-0.1 0.171 72.3 -70.5-118.2 14.1 18.6 2.5 -10.2 220 241 A G > - 0 0 46 1,-0.1 3,-0.6 2,-0.1 -1,-0.3 0.006 35.0 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112.6 50.0 -66.7 -40.1 12.8 -11.7 -10.0 231 252 A V H X S+ 0 0 41 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.929 112.2 46.6 -64.3 -46.3 12.9 -10.6 -6.4 232 253 A L H X S+ 0 0 4 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.893 111.9 50.8 -66.0 -39.5 10.3 -7.9 -6.9 233 254 A Q H X S+ 0 0 63 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.892 110.6 50.8 -62.7 -37.4 8.0 -10.3 -8.9 234 255 A S H X S+ 0 0 64 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.902 109.4 49.2 -66.7 -42.4 8.4 -12.7 -6.0 235 256 A E H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.881 108.0 56.5 -58.1 -41.0 7.4 -10.0 -3.5 236 257 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.950 110.4 41.7 -60.2 -49.7 4.4 -9.2 -5.6 237 258 A E H X S+ 0 0 101 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.877 113.1 54.4 -67.8 -34.8 3.0 -12.7 -5.5 238 259 A S H X S+ 0 0 40 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.879 107.8 49.9 -65.9 -36.8 3.8 -13.0 -1.8 239 260 A C H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.899 108.1 52.6 -67.1 -41.1 1.9 -9.8 -1.1 240 261 A K H X S+ 0 0 63 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.899 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0.751 113.6 48.0 -64.2 -20.4 -5.4 16.8 20.3 544 240 B C H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.1 -1,-0.2 0.834 107.7 50.5 -89.5 -38.1 -2.0 18.6 20.0 545 241 B Y H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.865 106.2 61.2 -62.1 -30.4 -0.2 16.1 17.8 546 242 B S H X S+ 0 0 2 -4,-2.2 4,-2.1 -13,-0.3 -2,-0.2 0.950 105.0 46.7 -56.8 -46.4 -3.4 16.6 15.8 547 243 B W H X S+ 0 0 2 -4,-0.8 4,-2.6 1,-0.2 5,-0.3 0.915 110.1 49.7 -64.8 -48.2 -2.4 20.3 15.5 548 244 B W H X S+ 0 0 21 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.900 113.3 48.5 -57.5 -39.3 1.3 19.8 14.5 549 245 B V H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.921 113.1 46.2 -68.2 -43.5 0.2 17.3 11.8 550 246 B L H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.888 112.3 49.3 -69.2 -40.9 -2.5 19.6 10.4 551 247 B A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.924 112.1 48.8 -64.6 -43.9 -0.4 22.7 10.3 552 248 B S H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.934 111.4 49.8 -59.6 -48.5 2.4 20.8 8.6 553 249 B L H <>S+ 0 0 0 -4,-2.4 5,-3.1 1,-0.2 6,-0.5 0.915 111.5 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