==== 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 3HXB . 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 . 632 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 74.1 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 . 19 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 22 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 329 52.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 0 0 1 0 2 3 1 2 7 7 0 0 1 0 1 1 1 0 0 0 0 0 1 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 . 8 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 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 14 A A > 0 0 125 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -34.4 -9.3 12.4 48.5 2 15 A E H > + 0 0 79 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.841 360.0 50.1 -67.3 -36.7 -8.7 15.2 51.2 3 16 A A H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.875 112.2 48.3 -66.0 -38.2 -5.3 13.5 52.3 4 17 A K H > S+ 0 0 71 2,-0.2 4,-1.8 3,-0.2 -2,-0.2 0.907 115.8 44.7 -67.1 -43.9 -4.4 13.4 48.5 5 18 A R H X S+ 0 0 63 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.972 116.1 46.0 -55.8 -58.4 -5.4 17.1 48.2 6 19 A L H X S+ 0 0 50 -4,-3.5 4,-0.9 1,-0.2 -2,-0.2 0.803 111.6 50.5 -63.0 -34.6 -3.7 18.1 51.5 7 20 A E H X S+ 0 0 55 -4,-2.1 4,-2.2 2,-0.2 3,-0.3 0.922 112.7 46.3 -71.0 -45.3 -0.4 16.3 50.7 8 21 A R H X S+ 0 0 33 -4,-1.8 4,-1.6 1,-0.3 -2,-0.2 0.817 109.1 56.0 -65.4 -33.3 -0.1 17.8 47.3 9 22 A E H X S+ 0 0 55 -4,-2.4 4,-1.8 1,-0.2 -1,-0.3 0.791 113.3 41.5 -63.4 -30.8 -0.9 21.2 48.9 10 23 A Q H X S+ 0 0 116 -4,-0.9 4,-3.5 -3,-0.3 -2,-0.2 0.776 104.9 62.1 -84.0 -31.3 2.1 20.6 51.2 11 24 A K H X S+ 0 0 138 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.821 106.9 50.7 -67.3 -33.2 4.2 19.2 48.3 12 25 A L H X>S+ 0 0 32 -4,-1.6 4,-4.7 2,-0.2 5,-0.6 0.991 104.6 51.1 -45.6 -77.0 3.6 22.7 47.2 13 26 A K H X5S+ 0 0 52 -4,-1.8 4,-2.6 1,-0.3 -2,-0.2 0.843 119.9 40.6 -39.8 -39.9 4.7 24.2 50.5 14 27 A L H X5S+ 0 0 98 -4,-3.5 4,-1.7 2,-0.2 -1,-0.3 0.862 119.9 41.1 -79.5 -39.8 7.7 22.1 50.0 15 28 A Y H X5S+ 0 0 25 -4,-2.8 4,-2.1 -3,-0.3 -2,-0.2 0.909 121.5 45.1 -69.1 -43.7 8.2 22.6 46.2 16 29 A Q H X5S+ 0 0 52 -4,-4.7 4,-2.3 2,-0.2 -2,-0.2 0.912 114.9 46.4 -65.7 -45.6 7.3 26.3 46.7 17 30 A S H XX S+ 0 0 40 -4,-2.0 4,-2.0 2,-0.2 3,-0.7 0.922 112.5 52.5 -70.3 -44.0 16.5 31.7 43.9 24 37 A Q H 3X S+ 0 0 67 -4,-2.4 4,-1.8 1,-0.2 3,-0.2 0.961 110.6 49.3 -47.2 -55.6 17.3 33.6 47.2 25 38 A K H 3X>S+ 0 0 46 -4,-2.8 5,-2.1 1,-0.2 4,-0.9 0.731 108.3 57.2 -56.3 -24.6 20.6 31.6 47.3 26 39 A R H <<5S+ 0 0 59 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.908 104.9 44.0 -83.0 -46.8 21.2 32.6 43.6 27 40 A Q H <5S+ 0 0 173 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.1 0.954 111.8 57.8 -57.4 -48.8 21.1 36.3 43.8 28 41 A A H <5S- 0 0 67 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.806 111.3-126.4 -45.9 -38.0 23.2 36.0 46.9 29 42 A G T <5 + 0 0 48 -4,-0.9 2,-1.6 1,-0.2 -3,-0.2 0.690 54.5 153.6 89.4 22.8 25.8 34.1 44.9 30 43 A E < + 0 0 98 -5,-2.1 2,-1.5 -6,-0.1 -1,-0.2 -0.657 15.5 176.7 -82.4 81.7 25.9 31.1 47.2 31 44 A L + 0 0 53 -2,-1.6 2,-0.2 -3,-0.1 -1,-0.1 -0.653 37.2 115.7 -89.3 81.3 27.0 28.6 44.7 32 45 A D S >> S- 0 0 49 -2,-1.5 3,-1.0 30,-0.0 4,-0.8 -0.620 82.8 -74.6-135.4-174.4 27.3 25.7 47.1 33 46 A E H 3> S+ 0 0 119 1,-0.2 4,-1.4 -2,-0.2 5,-0.2 0.719 114.8 72.2 -57.3 -31.3 26.0 22.3 48.3 34 47 A S H 3> S+ 0 0 34 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 98.0 49.6 -50.9 -37.1 22.9 23.8 49.7 35 48 A V H <> S+ 0 0 7 -3,-1.0 4,-2.8 1,-0.2 5,-0.2 0.855 104.2 56.0 -80.2 -40.0 21.6 24.4 46.2 36 49 A L H X S+ 0 0 14 -4,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.797 108.8 48.0 -58.9 -36.0 22.2 20.9 44.9 37 50 A E H X S+ 0 0 131 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.916 113.7 46.5 -73.8 -46.3 20.1 19.4 47.7 38 51 A L H X S+ 0 0 26 -4,-1.7 4,-2.1 2,-0.2 3,-0.5 0.952 116.1 43.9 -59.6 -51.8 17.2 21.8 47.1 39 52 A T H X S+ 0 0 0 -4,-2.8 4,-3.5 1,-0.2 5,-0.3 0.858 106.7 62.5 -64.1 -32.0 17.2 21.3 43.3 40 53 A S H X S+ 0 0 40 -4,-1.3 4,-1.1 -5,-0.2 -1,-0.2 0.879 107.0 45.4 -55.2 -40.8 17.6 17.6 43.9 41 54 A Q H X S+ 0 0 103 -4,-1.4 4,-0.8 -3,-0.5 -2,-0.2 0.922 118.5 39.8 -69.5 -46.8 14.2 17.8 45.6 42 55 A I H X S+ 0 0 15 -4,-2.1 4,-2.3 1,-0.2 3,-0.4 0.935 114.3 51.5 -71.7 -43.2 12.5 19.9 42.9 43 56 A L H < S+ 0 0 0 -4,-3.5 -1,-0.2 1,-0.2 -3,-0.2 0.768 98.1 66.1 -71.5 -27.5 14.0 18.3 39.8 44 57 A G H < S+ 0 0 28 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.918 115.4 28.1 -55.5 -48.6 13.1 14.7 40.9 45 58 A A H < S+ 0 0 86 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.2 0.759 136.5 28.6 -85.9 -29.8 9.4 15.5 40.5 46 59 A N >< + 0 0 21 -4,-2.3 3,-1.2 1,-0.1 -1,-0.2 -0.659 58.2 161.5-132.7 89.4 9.7 18.2 37.8 47 60 A P T 3 + 0 0 4 0, 0.0 48,-0.2 0, 0.0 6,-0.1 0.591 69.9 74.9 -84.8 -4.1 12.7 17.8 35.6 48 61 A D T 3 + 0 0 65 1,-0.1 2,-1.7 47,-0.1 3,-0.1 0.550 65.9 104.9 -78.6 -4.9 11.2 20.1 32.9 49 62 A F X> - 0 0 13 -3,-1.2 3,-1.1 1,-0.2 4,-0.8 -0.568 55.0-177.4 -75.8 84.5 12.0 23.0 35.3 50 63 A A H 3> + 0 0 39 -2,-1.7 4,-1.4 1,-0.3 3,-0.4 0.790 67.7 64.5 -64.3 -40.4 15.0 24.1 33.1 51 64 A T H 3> S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.881 99.4 56.4 -53.6 -37.5 16.4 26.9 35.2 52 65 A L H <> S+ 0 0 0 -3,-1.1 4,-2.2 1,-0.3 -1,-0.2 0.891 101.0 53.8 -71.8 -37.7 17.2 24.5 38.0 53 66 A W H X S+ 0 0 2 -4,-0.8 4,-2.0 -3,-0.4 -1,-0.3 0.830 108.1 54.6 -54.3 -34.2 19.4 22.2 35.8 54 67 A N H X S+ 0 0 4 -4,-1.4 4,-2.7 -3,-0.4 -2,-0.2 0.919 105.4 50.7 -67.8 -44.7 21.2 25.5 35.0 55 68 A C H X S+ 0 0 3 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.923 108.7 52.2 -53.9 -50.9 21.8 26.2 38.7 56 69 A R H X S+ 0 0 11 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.944 110.5 47.9 -53.8 -51.6 23.2 22.7 39.2 57 70 A R H X S+ 0 0 8 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.909 111.9 50.4 -53.9 -47.5 25.6 23.3 36.3 58 71 A E H X S+ 0 0 47 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.906 111.4 47.7 -58.8 -44.8 26.6 26.7 37.8 59 72 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.960 113.2 48.3 -60.3 -49.5 27.2 25.1 41.2 60 73 A L H < S+ 0 0 9 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.810 110.5 51.1 -63.6 -34.0 29.3 22.3 39.7 61 74 A Q H >< S+ 0 0 83 -4,-2.2 3,-0.7 -5,-0.2 -1,-0.2 0.887 110.3 48.9 -68.2 -42.1 31.3 24.7 37.6 62 75 A H H >< S+ 0 0 61 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.871 110.3 51.5 -62.7 -40.5 32.1 26.9 40.6 63 76 A L T 3X S+ 0 0 9 -4,-2.1 4,-0.9 1,-0.3 -1,-0.2 0.402 90.6 73.9 -84.1 -1.5 33.2 23.8 42.7 64 77 A E T <4 S+ 0 0 119 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.504 108.4 38.4 -77.9 -6.5 35.6 22.6 40.0 65 78 A T T <4 S+ 0 0 107 -3,-1.1 -2,-0.2 -4,-0.1 -1,-0.2 0.180 118.9 43.2-131.8 11.5 37.6 25.6 41.3 66 79 A E T 4 S+ 0 0 145 -3,-0.1 2,-0.2 2,-0.1 -3,-0.2 0.447 111.1 54.9-121.3 -14.6 37.0 25.4 45.1 67 80 A K S < S- 0 0 31 -4,-0.9 -1,-0.0 -5,-0.1 0, 0.0 -0.653 86.4-101.6-113.7 170.3 37.3 21.6 45.6 68 81 A S > - 0 0 42 -2,-0.2 4,-3.0 -3,-0.1 5,-0.2 -0.319 38.1 -97.5 -83.7 166.5 40.1 19.2 44.7 69 82 A P H > S+ 0 0 119 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.901 128.0 45.9 -42.1 -49.2 40.3 16.7 41.7 70 83 A E H > S+ 0 0 162 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.906 112.9 47.3 -65.3 -48.1 39.1 14.0 44.1 71 84 A E H > S+ 0 0 122 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.904 115.7 46.1 -60.9 -42.7 36.3 16.1 45.6 72 85 A S H X S+ 0 0 20 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.812 109.8 53.9 -69.9 -34.9 35.2 17.2 42.1 73 86 A A H X S+ 0 0 47 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.827 108.2 50.4 -64.7 -36.3 35.4 13.6 40.8 74 87 A A H X S+ 0 0 59 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.869 106.1 57.1 -69.2 -38.5 33.1 12.5 43.6 75 88 A L H X S+ 0 0 29 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.886 107.4 46.5 -60.3 -39.2 30.7 15.3 42.7 76 89 A V H X S+ 0 0 24 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.919 110.2 50.8 -74.9 -42.9 30.3 14.0 39.1 77 90 A K H X S+ 0 0 156 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.912 112.6 49.6 -56.8 -42.5 29.8 10.4 40.1 78 91 A A H X S+ 0 0 60 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.860 110.2 50.7 -59.7 -40.0 27.1 11.8 42.5 79 92 A E H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.865 107.4 53.2 -64.2 -39.6 25.7 13.7 39.6 80 93 A L H X S+ 0 0 31 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.938 110.2 47.2 -61.5 -46.7 25.6 10.6 37.5 81 94 A G H X S+ 0 0 35 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.952 111.4 50.5 -58.1 -54.2 23.6 8.7 40.1 82 95 A F H X S+ 0 0 27 -4,-2.3 4,-2.1 1,-0.2 3,-0.2 0.961 110.5 50.7 -45.7 -57.7 21.2 11.6 40.5 83 96 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.892 108.4 51.3 -47.4 -46.3 20.7 11.7 36.8 84 97 A E H X S+ 0 0 48 -4,-2.2 4,-1.7 1,-0.3 -1,-0.2 0.879 110.0 49.0 -67.4 -38.2 19.9 8.0 36.5 85 98 A S H X S+ 0 0 48 -4,-2.2 4,-0.9 -3,-0.2 -1,-0.3 0.816 110.1 52.5 -66.1 -30.0 17.4 8.2 39.3 86 99 A C H X S+ 0 0 4 -4,-2.1 4,-2.4 -5,-0.2 3,-0.4 0.931 109.5 49.6 -71.4 -39.6 15.8 11.2 37.4 87 100 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.822 102.1 59.3 -67.3 -36.9 15.6 9.2 34.2 88 101 A R H < S+ 0 0 165 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.880 114.2 40.1 -56.9 -36.0 13.9 6.1 35.8 89 102 A V H < S+ 0 0 107 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.884 136.8 12.4 -86.8 -45.2 11.1 8.4 36.9 90 103 A N >< + 0 0 46 -4,-2.4 3,-1.1 -5,-0.1 -1,-0.3 -0.735 64.9 173.6-129.2 89.5 10.8 10.6 33.8 91 104 A P T 3 S+ 0 0 39 0, 0.0 41,-0.1 0, 0.0 -4,-0.1 0.415 75.7 58.9 -71.5 6.8 12.8 9.0 30.9 92 105 A K T 3 + 0 0 112 39,-0.1 2,-0.4 38,-0.1 -5,-0.1 0.173 68.5 120.4-124.5 14.1 11.5 11.6 28.4 93 106 A S <> - 0 0 1 -3,-1.1 4,-1.4 1,-0.1 5,-0.1 -0.689 52.0-149.5 -86.7 132.4 12.6 15.0 29.8 94 107 A Y H > S+ 0 0 64 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.820 94.4 53.8 -64.3 -37.1 14.8 17.0 27.5 95 108 A G H > S+ 0 0 20 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.861 104.4 52.5 -72.8 -36.1 16.7 18.7 30.3 96 109 A T H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.945 112.7 45.0 -64.2 -47.5 17.7 15.6 32.1 97 110 A W H X S+ 0 0 13 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.867 113.8 49.3 -67.0 -38.8 19.2 14.1 29.0 98 111 A H H X S+ 0 0 33 -4,-2.0 4,-3.3 1,-0.2 5,-0.2 0.938 107.4 54.2 -69.1 -42.7 21.0 17.3 28.0 99 112 A H H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.880 107.4 53.4 -53.4 -38.0 22.4 17.7 31.6 100 113 A R H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.935 111.3 43.3 -66.2 -46.6 23.8 14.2 31.1 101 114 A C H X S+ 0 0 23 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.924 113.8 53.4 -57.7 -46.4 25.6 15.1 27.8 102 115 A W H X S+ 0 0 33 -4,-3.3 4,-1.0 2,-0.2 -2,-0.2 0.970 112.2 44.1 -52.6 -54.5 26.7 18.3 29.4 103 116 A L H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 4,-0.5 0.955 117.9 42.4 -57.7 -59.6 28.2 16.5 32.3 104 117 A L H >< S+ 0 0 3 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.785 106.2 63.9 -54.4 -36.2 29.9 13.7 30.3 105 118 A S H 3< S+ 0 0 64 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.764 106.5 43.9 -65.5 -23.5 31.1 16.2 27.6 106 119 A R T << S+ 0 0 89 -3,-1.2 -1,-0.2 -4,-1.0 -2,-0.2 0.446 90.1 105.4-103.9 -0.6 33.4 17.9 30.1 107 120 A L < - 0 0 35 -3,-0.8 -3,-0.0 -4,-0.5 -4,-0.0 -0.401 67.3-134.0 -72.7 157.2 34.9 14.8 31.8 108 121 A P S S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.994 94.8 8.0 -75.7 -80.3 38.5 13.8 31.2 109 122 A E S S- 0 0 95 2,-0.0 2,-0.3 3,-0.0 0, 0.0 -0.934 83.3-171.1 -91.2 101.5 38.2 10.0 30.6 110 123 A P - 0 0 27 0, 0.0 2,-1.6 0, 0.0 3,-0.2 -0.734 29.7-118.9 -85.9 144.8 34.4 9.3 30.6 111 124 A N >> + 0 0 109 -2,-0.3 4,-1.6 1,-0.2 3,-0.7 -0.555 40.1 170.3 -85.0 80.1 33.2 5.7 30.6 112 125 A W H 3> S+ 0 0 35 -2,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.746 73.3 59.9 -61.9 -29.1 31.4 5.7 27.2 113 126 A A H 3> S+ 0 0 73 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.859 104.7 50.6 -68.9 -35.2 31.0 1.9 27.3 114 127 A R H <> S+ 0 0 42 -3,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.889 110.6 50.1 -59.5 -45.2 29.0 2.2 30.5 115 128 A E H X S+ 0 0 10 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.787 107.5 52.2 -68.0 -33.3 26.9 4.8 28.8 116 129 A L H X S+ 0 0 36 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.720 109.3 51.1 -71.8 -24.4 26.2 2.6 25.8 117 130 A E H X S+ 0 0 108 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.888 105.4 55.2 -81.1 -40.8 25.1 -0.1 28.1 118 131 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 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102.9 42.9 -73.5 -32.9 28.9 -1.8 11.5 149 162 A E H <> S+ 0 0 115 -3,-1.1 4,-4.6 2,-0.2 5,-0.2 0.884 114.3 50.8 -79.5 -42.6 28.4 -2.5 15.3 150 163 A E H X S+ 0 0 6 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.913 113.6 46.5 -57.5 -39.8 25.5 -0.0 15.4 151 164 A L H X S+ 0 0 18 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.881 113.1 48.1 -69.9 -36.4 24.2 -1.9 12.4 152 165 A A H X S+ 0 0 46 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.935 108.9 54.4 -65.6 -45.6 24.9 -5.2 14.2 153 166 A F H X S+ 0 0 49 -4,-4.6 4,-1.6 1,-0.2 -2,-0.2 0.882 107.7 50.9 -50.4 -41.2 23.1 -3.7 17.2 154 167 A T H X S+ 0 0 2 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.878 100.5 61.7 -71.1 -36.5 20.1 -3.0 15.0 155 168 A D H >X S+ 0 0 75 -4,-1.7 4,-1.4 1,-0.2 3,-0.6 0.964 107.6 46.3 -47.7 -55.8 20.0 -6.6 13.6 156 169 A S H 3X S+ 0 0 55 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.913 107.1 54.7 -48.9 -57.1 19.3 -7.8 17.1 157 170 A L H 3X S+ 0 0 18 -4,-1.6 4,-1.4 1,-0.2 6,-0.3 0.742 105.8 50.7 -63.6 -27.4 16.6 -5.4 18.1 158 171 A I H << S+ 0 0 25 -4,-1.4 3,-0.3 -3,-0.6 -1,-0.2 0.975 113.4 43.0 -75.1 -53.5 14.3 -6.0 15.2 159 172 A T H < S+ 0 0 130 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.879 113.5 54.8 -57.1 -41.6 14.1 -9.8 15.5 160 173 A R H < S+ 0 0 187 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.2 0.864 120.2 4.5 -61.7 -42.5 13.8 -9.5 19.4 161 174 A N < - 0 0 56 -4,-1.4 3,-0.0 -3,-0.3 -1,-0.0 -0.840 62.9-119.7-139.2 169.9 10.8 -7.2 19.5 162 175 A F S S+ 0 0 69 -2,-0.3 -4,-0.1 1,-0.1 3,-0.1 -0.313 84.1 94.4-113.4 48.3 8.1 -5.5 17.4 163 176 A S + 0 0 43 -6,-0.3 3,-0.3 -5,-0.1 4,-0.3 -0.547 49.5 136.5-117.6 69.0 8.8 -1.8 18.3 164 177 A N > + 0 0 19 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.389 27.8 96.3-105.7 1.3 11.1 -1.3 15.3 165 178 A Y H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 94.7 46.2 -59.9 -42.0 10.3 2.1 13.6 166 179 A S H > S+ 0 0 1 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.839 114.4 47.5 -67.8 -36.5 13.1 3.6 15.6 167 180 A S H > S+ 0 0 5 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.925 111.8 48.8 -73.3 -45.3 15.5 0.7 14.7 168 181 A W H X S+ 0 0 7 -4,-3.4 4,-1.6 2,-0.2 -2,-0.2 0.810 110.8 52.6 -62.3 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4,-2.3 1,-0.2 -2,-0.2 0.908 110.4 49.8 -51.6 -45.1 19.5 -3.2 -1.3 190 209 A L H X S+ 0 0 24 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.892 109.9 49.1 -63.5 -44.0 18.7 -6.8 -2.0 191 210 A K H X S+ 0 0 150 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.926 114.6 45.8 -60.9 -45.4 19.9 -8.0 1.4 192 211 A E H X S+ 0 0 4 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.782 107.2 57.7 -66.3 -34.7 17.8 -5.2 3.0 193 212 A L H X S+ 0 0 4 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.855 107.6 49.0 -63.1 -32.2 14.8 -6.1 0.8 194 213 A E H X S+ 0 0 147 -4,-1.4 4,-1.5 -3,-0.2 -2,-0.2 0.875 108.9 50.8 -77.9 -41.3 15.1 -9.6 2.3 195 214 A L H X S+ 0 0 58 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.879 112.7 48.3 -53.1 -43.4 15.3 -8.5 5.9 196 215 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.896 109.3 47.2 -77.1 -41.9 12.2 -6.3 5.5 197 216 A Q H X S+ 0 0 13 -4,-1.8 4,-1.9 2,-0.2 5,-0.3 0.938 111.4 54.3 -63.1 -47.8 9.8 -8.8 3.7 198 217 A N H >X S+ 0 0 105 -4,-1.5 4,-2.6 2,-0.2 3,-1.1 0.976 109.1 48.8 -41.2 -63.9 10.7 -11.3 6.4 199 218 A A H 3X S+ 0 0 28 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.903 114.0 44.4 -48.7 -52.5 9.7 -8.7 9.0 200 219 A F H 3< S+ 0 0 1 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.557 114.2 47.6 -81.4 -4.5 6.3 -7.9 7.3 201 220 A F H << S+ 0 0 77 -4,-1.9 -1,-0.2 -3,-1.1 -2,-0.2 0.744 110.8 53.1 -91.7 -32.4 5.3 -11.6 6.6 202 221 A T H < S+ 0 0 108 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.981 136.0 5.9 -53.4 -59.0 6.2 -12.4 10.2 203 222 A D >< - 0 0 63 -4,-2.5 3,-1.8 -5,-0.2 -1,-0.3 -0.797 68.1-177.9-130.8 90.0 3.9 -9.5 11.2 204 223 A P T 3 S+ 0 0 18 0, 0.0 48,-0.2 0, 0.0 49,-0.1 0.523 81.5 63.9 -61.5 -10.5 1.9 -7.9 8.4 205 224 A N T 3 S+ 0 0 105 47,-0.1 2,-1.0 45,-0.0 -5,-0.1 0.441 75.1 111.6 -92.3 5.0 0.3 -5.4 10.7 206 225 A D X> - 0 0 14 -3,-1.8 4,-0.9 1,-0.2 3,-0.6 -0.678 47.5-173.5 -86.2 99.4 3.7 -3.9 11.3 207 226 A Q H 3> S+ 0 0 21 -2,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.767 71.6 68.3 -69.3 -29.5 3.7 -0.5 9.7 208 227 A S H 3> S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 100.0 48.6 -62.0 -37.1 7.3 0.4 10.2 209 228 A A H <> S+ 0 0 1 -3,-0.6 4,-3.2 2,-0.2 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4,-2.2 -5,-0.2 3,-1.3 0.943 110.7 47.9 -76.4 -51.2 0.1 11.3 -15.7 301 321 A E H 3X S+ 0 0 87 -4,-2.0 4,-2.3 1,-0.3 -2,-0.2 0.852 109.7 54.6 -50.3 -41.5 3.4 9.4 -15.7 302 322 A N H 3X S+ 0 0 2 -4,-2.4 4,-0.8 2,-0.2 -1,-0.3 0.723 108.2 49.0 -65.2 -24.1 1.7 6.7 -17.8 303 323 A S H <> S+ 0 0 68 -3,-1.3 4,-1.2 -4,-0.5 -2,-0.2 0.842 109.9 49.7 -85.5 -38.0 0.7 9.3 -20.3 304 324 A V H < S+ 0 0 103 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.901 110.8 51.1 -60.4 -43.9 4.1 10.7 -20.6 305 325 A L H < S+ 0 0 77 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.790 110.1 49.4 -64.0 -33.7 5.5 7.2 -21.1 306 326 A K H >< S+ 0 0 104 -4,-0.8 3,-0.9 1,-0.2 -1,-0.2 0.730 105.1 56.6 -78.7 -27.1 3.0 6.5 -23.9 307 327 A M T 3< S+ 0 0 172 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.533 93.4 69.9 -81.7 -7.6 3.8 9.8 -25.8 308 328 A E T 3 S+ 0 0 85 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.486 82.3 111.9 -81.3 -6.4 7.5 8.7 -25.8 309 329 A Y < 0 0 163 -3,-0.9 -3,-0.0 1,-0.1 -4,-0.0 -0.379 360.0 360.0 -67.6 142.7 6.3 6.0 -28.4 310 330 A A 0 0 157 -2,-0.1 -1,-0.1 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2,-1.1 -4,-0.2 3,-0.1 -0.773 95.1-110.2-109.1 151.9 -6.9 13.8 5.9 564 259 B D > - 0 0 45 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.728 35.1-170.4 -78.7 99.3 -10.5 12.9 6.8 565 260 B R H > S+ 0 0 126 -2,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.869 79.2 51.3 -64.5 -42.1 -11.6 16.4 7.9 566 261 B E H > S+ 0 0 155 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 111.0 47.0 -61.1 -50.6 -14.9 15.3 9.3 567 262 B K H > S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.871 114.7 47.6 -63.2 -35.9 -13.5 12.5 11.5 568 263 B L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.923 108.9 53.0 -71.9 -45.0 -10.7 14.8 12.8 569 264 B R H X S+ 0 0 93 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.915 110.9 48.2 -52.9 -45.3 -13.1 17.6 13.6 570 265 B S H X S+ 0 0 52 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.823 108.8 53.4 -69.2 -34.0 -15.3 15.2 15.6 571 266 B F H < S+ 0 0 0 -4,-1.6 4,-0.4 2,-0.2 -1,-0.2 0.954 110.5 47.3 -60.4 -49.4 -12.2 13.8 17.4 572 267 B I H >< S+ 0 0 1 -4,-2.4 3,-1.7 1,-0.2 4,-0.4 0.922 110.3 51.0 -63.4 -46.8 -11.3 17.3 18.5 573 268 B L H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.867 102.6 61.2 -59.5 -35.7 -14.8 18.3 19.6 574 269 B A T 3< S+ 0 0 2 -4,-1.8 14,-0.6 1,-0.2 -1,-0.3 0.617 95.5 64.1 -62.9 -13.1 -14.9 15.1 21.8 575 270 B C T < S+ 0 0 1 -3,-1.7 9,-2.1 -4,-0.4 -1,-0.2 0.594 80.7 104.8 -88.2 -13.0 -11.9 16.5 23.6 576 271 B Q B < -G 583 0G 6 -3,-1.5 2,-0.7 -4,-0.4 12,-0.3 -0.368 69.9-135.0 -62.1 142.8 -13.9 19.5 25.0 577 272 B D > - 0 0 50 5,-1.9 4,-2.2 1,-0.1 -2,-0.1 -0.930 15.9-164.7 -99.0 107.8 -15.0 19.5 28.6 578 273 B E T 4 S+ 0 0 117 -2,-0.7 -1,-0.1 1,-0.2 4,-0.1 0.636 83.4 44.9 -72.0 -16.4 -18.7 20.6 28.3 579 274 B E T 4 S+ 0 0 75 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.0 0.913 128.4 19.8 -90.1 -55.2 -18.9 21.4 32.1 580 275 B T T 4 S- 0 0 81 1,-0.2 -2,-0.2 2,-0.1 2,-0.1 0.701 100.2-136.0 -88.3 -21.1 -15.7 23.4 32.8 581 276 B G < + 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -251,-0.2 -0.352 57.5 96.3 80.5-172.5 -14.8 24.4 29.3 582 277 B G S S- 0 0 0 -256,-0.2 -5,-1.9 -255,-0.1 2,-0.3 -0.034 72.9 -89.2 71.9 168.2 -11.3 24.3 27.7 583 278 B F E -GH 576 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29.8 593 288 B P H > S+ 0 0 11 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.726 113.5 61.7 -64.3 -21.3 -4.8 26.0 28.0 594 289 B F H > S+ 0 0 48 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.975 112.2 35.0 -64.8 -55.2 -2.2 24.2 25.8 595 290 B H H > S+ 0 0 20 -12,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.654 111.7 63.6 -76.2 -15.0 -4.8 21.8 24.2 596 291 B T H X S+ 0 0 0 -4,-1.3 4,-2.0 -13,-0.3 5,-0.2 0.928 106.3 43.5 -73.4 -45.1 -7.4 24.5 24.2 597 292 B L H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 -2,-0.2 0.929 116.8 45.4 -61.5 -48.6 -5.3 26.6 21.8 598 293 B F H X S+ 0 0 11 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.758 111.8 52.8 -71.7 -28.7 -4.4 23.7 19.6 599 294 B G H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.940 115.8 39.9 -66.0 -50.0 -8.1 22.4 19.6 600 295 B I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.914 117.1 49.0 -66.1 -47.6 -9.4 25.8 18.5 601 296 B A H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.2 13,-0.2 0.930 111.6 50.5 -58.2 -43.6 -6.5 26.3 16.1 602 297 B G H X S+ 0 0 1 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.867 111.3 47.7 -60.5 -38.8 -7.1 22.8 14.6 603 298 B L H X>S+ 0 0 1 -4,-1.9 5,-1.2 2,-0.2 4,-0.7 0.834 110.0 53.2 -74.9 -33.6 -10.8 23.5 14.1 604 299 B S H ><5S+ 0 0 12 -4,-2.3 3,-1.3 3,-0.2 4,-0.2 0.956 107.0 50.7 -65.5 -50.5 -10.1 26.9 12.5 605 300 B L H 3<5S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.828 107.1 54.6 -55.1 -34.4 -7.7 25.3 10.0 606 301 B L H 3<5S- 0 0 37 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.646 132.0 -93.4 -74.1 -15.8 -10.5 22.7 9.2 607 302 B G T <<5 + 0 0 61 -3,-1.3 2,-0.6 -4,-0.7 -3,-0.2 0.816 58.4 169.2 113.1 44.6 -12.8 25.8 8.5 608 303 B E > < - 0 0 36 -5,-1.2 3,-1.2 -4,-0.2 -1,-0.2 -0.753 21.5-157.1 -85.9 117.1 -14.8 26.7 11.6 609 304 B E T 3 S+ 0 0 103 -2,-0.6 -1,-0.1 1,-0.3 -5,-0.0 0.709 87.6 63.4 -76.3 -18.4 -16.4 30.1 10.8 610 305 B Q T 3 S+ 0 0 122 2,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.643 98.2 68.1 -72.4 -14.6 -16.9 31.1 14.4 611 306 B I S < S- 0 0 8 -3,-1.2 -246,-0.2 -8,-0.1 3,-0.1 -0.888 91.1-111.8-110.4 135.9 -13.0 31.1 14.8 612 307 B K - 0 0 50 -248,-2.6 2,-0.2 -2,-0.4 -4,-0.1 -0.191 47.5 -86.9 -53.9 150.4 -10.6 33.6 13.2 613 308 B P - 0 0 88 0, 0.0 9,-2.6 0, 0.0 10,-0.5 -0.491 49.0-148.6 -64.2 135.5 -8.3 32.2 10.5 614 309 B V B -I 621 0H 4 7,-0.3 -3,-0.0 -13,-0.2 3,-0.0 -0.856 11.1-123.1-112.1 135.3 -5.1 30.8 12.1 615 310 B S > - 0 0 4 5,-3.1 4,-1.7 -2,-0.4 5,-0.4 -0.665 11.0-154.6 -72.3 125.4 -1.6 30.7 10.6 616 311 B P T 4 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -60,-0.1 0.602 94.3 50.9 -71.5 -14.9 -0.2 27.1 10.5 617 312 B V T 4 S+ 0 0 3 3,-0.1 -113,-0.1 15,-0.1 -161,-0.0 0.935 127.8 15.8 -83.3 -59.2 3.3 28.6 10.7 618 313 B F T 4 S- 0 0 1 2,-0.2 -1,-0.0 -114,-0.0 -114,-0.0 0.623 91.3-131.8 -94.1 -14.3 3.1 31.0 13.6 619 314 B C S < S+ 0 0 0 -4,-1.7 -18,-0.1 1,-0.3 -5,-0.0 0.981 70.0 115.1 57.2 55.8 -0.1 29.6 15.2 620 315 B M S S- 0 0 0 -5,-0.4 -5,-3.1 -19,-0.0 -1,-0.3 -0.947 80.6 -72.3-148.5 155.0 -1.4 33.2 15.5 621 316 B P B >> -I 614 0H 0 0, 0.0 4,-1.4 0, 0.0 3,-1.0 -0.301 36.7-133.7 -53.9 125.6 -4.4 34.9 13.8 622 317 B E H 3> S+ 0 0 53 -9,-2.6 4,-2.8 1,-0.2 5,-0.2 0.864 107.1 62.4 -39.3 -41.8 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32.9 4.2 633 328 B E - 0 0 87 -126,-0.3 2,-0.2 -125,-0.1 -121,-0.2 -0.574 35.2-152.2 -70.6 137.8 3.9 31.5 0.8 634 329 B L - 0 0 58 -2,-0.2 -77,-0.2 1,-0.1 -78,-0.1 -0.499 24.1 -80.8-106.1 177.0 2.8 27.8 1.4 635 330 B V 0 0 38 -79,-2.8 -77,-0.2 -80,-0.2 -1,-0.1 -0.414 360.0 360.0 -77.5 155.1 2.9 24.9 -1.0 636 331 B S 0 0 149 -79,-0.1 -1,-0.0 -2,-0.1 -80,-0.0 -0.996 360.0 360.0 153.7 360.0 0.4 24.1 -3.7