==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 29-AUG-12 4GTV . COMPND 2 MOLECULE: GERANYLGERANYL TRANSFERASE TYPE-2 SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Z.GUO,E.A.STIGTER,R.S.BON,H.WALDMANN,W.BLANKENFELDT,R.S.GOOD . 631 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 455 72.1 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 . 18 2.9 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 . 17 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 327 51.8 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 1 0 1 0 0 2 3 2 1 6 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 16 A A > 0 0 118 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -54.2 -4.9 13.4 53.1 2 17 A K H > + 0 0 88 2,-0.2 4,-0.9 1,-0.2 0, 0.0 0.937 360.0 36.8 -67.9 -49.7 -4.1 12.9 49.5 3 18 A R H 4 S+ 0 0 80 1,-0.2 -1,-0.2 2,-0.2 4,-0.0 0.762 118.0 54.6 -71.8 -27.0 -5.2 16.4 48.4 4 19 A L H >> S+ 0 0 61 1,-0.2 3,-1.5 2,-0.2 4,-1.2 0.891 103.8 53.1 -71.6 -42.3 -3.9 17.7 51.7 5 20 A E H 3X S+ 0 0 52 -4,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.754 99.0 64.0 -65.6 -26.3 -0.4 16.3 51.1 6 21 A R H 3< S+ 0 0 136 -4,-0.9 4,-0.4 2,-0.2 -1,-0.3 0.428 102.2 50.4 -81.2 -0.4 -0.2 18.0 47.7 7 22 A E H <> S+ 0 0 38 -3,-1.5 4,-1.9 2,-0.1 -1,-0.2 0.674 108.8 51.2 -92.3 -35.4 -0.3 21.3 49.6 8 23 A Q H X S+ 0 0 54 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.902 112.6 46.3 -63.6 -44.1 2.5 20.0 51.9 9 24 A K H X S+ 0 0 108 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.932 109.2 55.9 -58.6 -49.4 4.5 19.2 48.7 10 25 A L H > S+ 0 0 27 -4,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.879 108.9 45.9 -52.5 -45.7 3.6 22.6 47.2 11 26 A K H X S+ 0 0 140 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.843 111.7 49.9 -73.8 -35.9 5.1 24.5 50.1 12 27 A L H X S+ 0 0 118 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.941 114.5 44.7 -66.2 -48.3 8.3 22.5 50.4 13 28 A Y H X S+ 0 0 30 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.939 115.3 50.1 -57.5 -47.5 9.0 22.9 46.7 14 29 A Q H X S+ 0 0 94 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.920 114.7 42.2 -55.5 -50.7 8.0 26.6 47.0 15 30 A S H X S+ 0 0 68 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.866 115.2 50.2 -67.9 -38.4 10.3 27.1 50.0 16 31 A A H X S+ 0 0 5 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.945 112.5 46.9 -63.8 -48.4 13.1 25.1 48.4 17 32 A T H X S+ 0 0 21 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.929 110.7 52.5 -58.4 -49.3 12.8 27.1 45.2 18 33 A Q H X S+ 0 0 121 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.920 110.2 50.1 -47.5 -49.1 12.8 30.4 47.2 19 34 A A H X S+ 0 0 35 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.904 107.6 51.6 -63.0 -45.4 16.0 29.2 48.9 20 35 A V H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.937 111.7 47.0 -57.0 -48.3 17.8 28.4 45.7 21 36 A F H X S+ 0 0 49 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.918 111.0 50.5 -65.0 -43.8 17.1 31.7 44.1 22 37 A Q H X S+ 0 0 65 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.944 112.8 47.3 -56.4 -48.1 18.1 33.7 47.3 23 38 A K H <>S+ 0 0 46 -4,-2.5 5,-3.0 1,-0.2 4,-0.4 0.896 111.0 52.6 -60.3 -39.7 21.4 31.8 47.4 24 39 A R H ><5S+ 0 0 54 -4,-2.4 3,-1.0 2,-0.2 -2,-0.2 0.910 110.5 45.0 -64.8 -46.2 22.0 32.3 43.7 25 40 A Q H 3<5S+ 0 0 190 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.885 111.6 55.0 -63.1 -38.4 21.5 36.1 43.9 26 41 A A T 3<5S- 0 0 63 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.535 115.8-118.0 -70.7 -8.0 23.8 36.1 47.0 27 42 A G T < 5 + 0 0 52 -3,-1.0 2,-1.6 -4,-0.4 -3,-0.2 0.718 61.3 152.1 76.2 21.4 26.5 34.3 45.0 28 43 A E < + 0 0 85 -5,-3.0 2,-1.6 -6,-0.2 -1,-0.2 -0.574 13.7 172.0 -87.6 76.7 26.4 31.2 47.2 29 44 A L + 0 0 50 -2,-1.6 2,-0.2 -3,-0.1 -1,-0.1 -0.599 33.4 121.7 -85.7 77.9 27.5 28.6 44.7 30 45 A D S >> S- 0 0 44 -2,-1.6 3,-1.5 30,-0.0 4,-0.8 -0.729 78.7 -84.5-134.9-178.5 27.8 25.7 47.1 31 46 A E H 3> S+ 0 0 90 1,-0.3 4,-1.8 -2,-0.2 5,-0.1 0.650 114.1 72.5 -67.3 -18.2 26.6 22.1 47.8 32 47 A S H 3> S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.846 95.9 53.5 -62.4 -31.9 23.5 23.3 49.7 33 48 A V H <> S+ 0 0 6 -3,-1.5 4,-2.7 2,-0.2 5,-0.2 0.885 105.5 52.0 -69.5 -41.8 22.1 24.3 46.2 34 49 A L H X S+ 0 0 15 -4,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.877 111.0 49.7 -56.9 -39.7 22.7 20.8 44.9 35 50 A E H X S+ 0 0 108 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.943 112.7 45.1 -65.4 -49.5 20.8 19.6 48.0 36 51 A L H < S+ 0 0 33 -4,-2.4 4,-0.4 1,-0.2 3,-0.3 0.902 114.1 48.0 -64.0 -42.7 17.9 21.9 47.4 37 52 A T H >X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 3,-1.0 0.805 103.0 61.5 -71.6 -29.5 17.6 21.3 43.7 38 53 A S H 3X S+ 0 0 34 -4,-1.5 4,-1.0 1,-0.3 -1,-0.2 0.863 102.1 54.0 -63.3 -34.5 17.7 17.5 44.0 39 54 A Q H 3< S+ 0 0 95 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.613 119.4 33.1 -71.2 -16.9 14.5 17.8 46.1 40 55 A I H X> S+ 0 0 2 -3,-1.0 4,-2.1 -4,-0.4 3,-0.6 0.781 111.0 57.3-107.4 -43.9 12.8 19.7 43.3 41 56 A L H 3< S+ 0 0 0 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.1 0.755 96.6 65.1 -67.3 -26.0 14.2 18.3 40.0 42 57 A G T 3< S+ 0 0 27 -4,-1.0 -1,-0.2 -5,-0.3 -3,-0.1 0.887 118.0 25.6 -61.1 -40.7 13.2 14.7 40.8 43 58 A A T <4 S+ 0 0 55 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.698 134.1 37.7 -92.1 -25.1 9.5 15.7 40.6 44 59 A N >< + 0 0 25 -4,-2.1 3,-1.8 1,-0.1 -1,-0.2 -0.505 62.7 157.9-130.8 61.8 9.9 18.7 38.3 45 60 A P T 3 + 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.608 69.8 65.7 -67.6 -14.0 12.6 17.8 35.7 46 61 A D T 3 + 0 0 67 1,-0.1 2,-2.1 47,-0.1 3,-0.2 0.463 66.8 109.7 -88.8 1.2 11.4 20.4 33.2 47 62 A F X> - 0 0 17 -3,-1.8 3,-1.1 1,-0.2 4,-1.0 -0.515 50.4-177.3 -73.6 78.3 12.4 23.3 35.5 48 63 A A H >> S+ 0 0 40 -2,-2.1 4,-2.0 1,-0.3 3,-0.6 0.824 70.4 61.6 -53.1 -42.2 15.3 24.3 33.2 49 64 A T H 3> S+ 0 0 7 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.858 100.8 54.6 -59.2 -36.3 16.6 27.2 35.4 50 65 A L H <> S+ 0 0 0 -3,-1.1 4,-1.8 2,-0.2 -1,-0.3 0.839 105.8 51.9 -66.5 -32.1 17.4 24.7 38.3 51 66 A W H X S+ 0 0 63 -4,-2.1 4,-1.2 1,-0.2 3,-0.9 0.894 111.8 50.9 -66.7 -44.1 32.4 26.8 40.5 61 76 A L H 3< S+ 0 0 0 -4,-2.9 4,-0.5 1,-0.3 -1,-0.2 0.854 100.8 63.4 -65.3 -36.0 33.2 23.8 42.7 62 77 A E H 3< S+ 0 0 102 -4,-1.9 -1,-0.3 -5,-0.2 3,-0.2 0.768 104.5 49.6 -54.1 -28.8 35.5 22.5 40.0 63 78 A T H << S+ 0 0 106 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.871 118.9 34.1 -79.7 -39.2 37.6 25.7 40.6 64 79 A E S < S+ 0 0 105 -4,-1.2 2,-0.3 -3,-0.1 -2,-0.2 0.056 106.9 77.5-109.8 24.0 37.8 25.5 44.4 65 80 A K S S- 0 0 54 -4,-0.5 5,-0.0 -3,-0.2 0, 0.0 -0.922 81.2-101.6-130.7 159.0 38.0 21.7 45.0 66 81 A S >> - 0 0 45 -2,-0.3 4,-2.8 1,-0.1 3,-0.6 -0.429 36.4-110.6 -73.3 147.1 40.6 19.0 44.7 67 82 A P H 3> S+ 0 0 115 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.824 122.9 51.6 -41.4 -39.7 40.6 16.7 41.6 68 83 A E H 3> S+ 0 0 165 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.851 110.7 47.0 -69.0 -37.4 39.6 13.9 43.9 69 84 A E H <> S+ 0 0 100 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.855 111.9 50.6 -70.7 -37.3 36.7 16.0 45.3 70 85 A S H X S+ 0 0 14 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.859 108.6 52.9 -65.5 -37.5 35.7 17.0 41.7 71 86 A A H X S+ 0 0 50 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.870 108.6 49.4 -66.3 -38.7 35.7 13.3 40.8 72 87 A A H X S+ 0 0 62 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.891 109.3 52.1 -65.1 -42.3 33.4 12.4 43.7 73 88 A L H X S+ 0 0 32 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.882 109.1 50.5 -62.5 -40.7 31.0 15.3 42.7 74 89 A V H X S+ 0 0 30 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.914 109.4 49.6 -63.1 -46.8 30.8 13.9 39.2 75 90 A K H X S+ 0 0 159 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.892 110.6 50.6 -60.8 -38.9 30.0 10.4 40.3 76 91 A A H X S+ 0 0 64 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.904 109.9 51.6 -63.0 -39.4 27.3 11.7 42.6 77 92 A E H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.892 106.5 52.8 -66.5 -40.4 25.9 13.7 39.6 78 93 A L H X S+ 0 0 20 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.892 112.2 45.7 -60.8 -41.5 25.8 10.6 37.4 79 94 A G H X S+ 0 0 31 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.877 111.4 51.2 -70.2 -41.9 23.8 8.7 40.0 80 95 A F H X S+ 0 0 31 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.950 111.9 48.4 -57.0 -48.9 21.4 11.6 40.6 81 96 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.889 109.6 51.5 -58.7 -43.7 20.8 11.8 36.9 82 97 A E H X S+ 0 0 32 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.893 110.3 49.5 -61.9 -40.0 20.2 8.0 36.6 83 98 A S H X S+ 0 0 43 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.878 111.3 49.5 -66.6 -38.3 17.6 8.2 39.4 84 99 A C H X S+ 0 0 7 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.897 109.3 51.6 -65.4 -42.8 15.9 11.1 37.7 85 100 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.839 104.1 57.2 -64.9 -36.1 15.8 9.3 34.4 86 101 A R H < S+ 0 0 169 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.875 112.6 41.7 -59.3 -38.6 14.2 6.2 36.0 87 102 A V H < S+ 0 0 109 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.889 136.7 11.0 -77.7 -45.7 11.3 8.5 37.3 88 103 A N >< + 0 0 51 -4,-2.6 3,-0.8 -5,-0.1 -1,-0.3 -0.762 61.8 172.6-137.2 93.8 10.9 10.5 34.0 89 104 A P T 3 S+ 0 0 38 0, 0.0 41,-0.2 0, 0.0 40,-0.1 0.396 75.2 64.1 -80.3 4.5 12.8 9.1 31.0 90 105 A K T 3 + 0 0 115 39,-0.1 2,-0.6 38,-0.1 -5,-0.0 0.039 68.4 118.5-117.5 26.5 11.2 11.6 28.6 91 106 A S <> - 0 0 0 -3,-0.8 4,-1.6 1,-0.2 3,-0.3 -0.831 50.3-155.4 -98.0 121.0 12.5 15.0 30.0 92 107 A Y H > S+ 0 0 58 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.903 94.0 56.1 -52.1 -45.1 14.6 17.0 27.5 93 108 A G H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.825 105.3 48.9 -64.2 -36.2 16.3 18.8 30.4 94 109 A T H > S+ 0 0 0 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.919 112.9 46.5 -70.9 -45.8 17.6 15.7 32.2 95 110 A W H X S+ 0 0 13 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.872 111.9 52.1 -65.0 -37.9 19.0 14.1 29.0 96 111 A H H X S+ 0 0 27 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.917 106.4 53.1 -65.2 -42.5 20.7 17.5 28.1 97 112 A H H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.890 108.4 50.8 -59.1 -38.4 22.3 17.8 31.5 98 113 A R H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.925 110.8 47.9 -66.0 -41.6 23.8 14.3 31.1 99 114 A C H X S+ 0 0 32 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.918 112.4 49.8 -61.6 -46.0 25.2 15.3 27.7 100 115 A W H X S+ 0 0 34 -4,-2.9 4,-0.7 2,-0.2 -2,-0.2 0.916 113.5 47.0 -55.9 -46.6 26.6 18.5 29.2 101 116 A L H >X S+ 0 0 1 -4,-2.5 3,-0.9 1,-0.2 4,-0.7 0.942 113.8 44.8 -63.7 -51.6 28.2 16.5 32.0 102 117 A L H 3< S+ 0 0 4 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.803 106.0 61.9 -65.2 -32.2 29.8 13.7 29.9 103 118 A S H 3< S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.718 108.6 42.1 -68.2 -22.8 31.1 16.2 27.3 104 119 A R H << S+ 0 0 86 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.516 86.9 113.0-105.0 -5.7 33.3 17.9 29.9 105 120 A L < - 0 0 29 -4,-0.7 -3,-0.0 -3,-0.5 -4,-0.0 -0.368 61.8-140.4 -64.5 144.8 34.7 14.9 31.8 106 121 A P S S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.954 96.9 18.8 -70.4 -52.1 38.4 14.1 31.5 107 122 A E S S- 0 0 90 2,-0.0 2,-0.2 0, 0.0 -2,-0.0 -0.720 82.2-171.8-121.6 78.7 38.0 10.3 31.3 108 123 A P - 0 0 33 0, 0.0 2,-1.1 0, 0.0 3,-0.2 -0.481 23.0-134.6 -71.4 139.3 34.4 9.6 30.3 109 124 A N > + 0 0 93 1,-0.2 4,-1.3 -2,-0.2 3,-0.1 -0.752 31.0 171.9 -91.8 87.8 33.4 6.0 30.4 110 125 A W H > S+ 0 0 40 -2,-1.1 4,-2.5 1,-0.2 5,-0.2 0.823 73.7 59.7 -70.0 -32.5 31.5 5.7 27.1 111 126 A A H > S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 105.5 50.4 -60.4 -40.7 31.1 1.9 27.3 112 127 A R H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.867 109.6 50.9 -63.9 -38.2 29.1 2.4 30.5 113 128 A E H X S+ 0 0 2 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.890 108.1 51.2 -68.6 -39.5 27.0 5.1 28.8 114 129 A L H X S+ 0 0 32 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.855 109.5 51.5 -64.3 -34.0 26.2 2.7 25.8 115 130 A E H X S+ 0 0 93 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.883 106.5 53.2 -70.6 -39.3 25.1 0.1 28.3 116 131 A L H X S+ 0 0 16 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.912 109.3 50.2 -58.3 -43.7 22.8 2.5 30.1 117 132 A C H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.920 108.1 51.5 -60.0 -47.5 21.3 3.2 26.6 118 133 A A H X S+ 0 0 22 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.891 111.3 49.6 -55.5 -41.8 20.8 -0.5 26.0 119 134 A R H X S+ 0 0 160 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.923 112.0 45.4 -63.0 -48.9 19.1 -0.8 29.3 120 135 A F H X S+ 0 0 35 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.867 112.2 52.6 -66.1 -35.1 16.7 2.1 28.8 121 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-4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.255 109.4-120.1 -96.0 9.4 33.5 7.3 21.2 142 157 A A T < 5 + 0 0 88 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.908 43.8 178.7 47.8 48.7 34.0 6.8 17.5 143 158 A V < - 0 0 37 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.0 -0.707 28.1-122.3 -77.1 129.1 31.8 3.7 17.4 144 159 A A >> - 0 0 54 -2,-0.4 3,-1.5 1,-0.1 4,-1.4 -0.453 13.6-114.5 -81.3 149.2 31.7 2.5 13.8 145 160 A P H 3> S+ 0 0 32 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.804 113.4 58.6 -47.6 -41.5 28.5 2.2 11.7 146 161 A A H 3> S+ 0 0 57 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.812 104.0 52.5 -63.0 -31.7 28.8 -1.6 11.4 147 162 A E H <> S+ 0 0 132 -3,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.926 111.9 44.1 -68.6 -46.6 28.8 -1.9 15.2 148 163 A E H X S+ 0 0 6 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.834 109.0 58.5 -66.8 -33.1 25.6 0.1 15.5 149 164 A L H X S+ 0 0 25 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.895 103.5 52.4 -62.1 -40.6 24.1 -1.9 12.6 150 165 A A H X S+ 0 0 59 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.883 106.9 53.7 -59.8 -40.3 24.6 -5.1 14.6 151 166 A F H X S+ 0 0 35 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.914 106.8 51.0 -62.0 -42.7 22.8 -3.5 17.5 152 167 A T H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.867 105.4 56.5 -64.5 -37.4 19.7 -2.7 15.4 153 168 A D H X S+ 0 0 67 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.891 106.2 48.3 -64.7 -42.5 19.4 -6.2 14.0 154 169 A S H X S+ 0 0 54 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.876 112.8 49.6 -65.1 -37.7 19.2 -7.8 17.4 155 170 A L H X S+ 0 0 1 -4,-1.5 4,-0.8 1,-0.2 -2,-0.2 0.856 108.5 52.9 -68.5 -35.0 16.5 -5.3 18.4 156 171 A I H < S+ 0 0 14 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.875 114.4 39.0 -71.9 -37.0 14.4 -5.8 15.3 157 172 A T H < S+ 0 0 101 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.783 105.9 62.9 -86.4 -28.0 14.1 -9.7 15.5 158 173 A R H < S- 0 0 113 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.2 0.769 119.9 -24.1 -72.2 -29.2 13.7 -10.1 19.3 159 174 A N S < S- 0 0 83 -4,-0.8 -1,-0.1 1,-0.1 0, 0.0 -0.954 70.3 -89.6-164.5-177.8 10.3 -8.2 19.5 160 175 A F S S+ 0 0 47 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.265 77.1 91.7 -84.3-148.3 8.1 -5.5 17.8 161 176 A S + 0 0 61 1,-0.1 3,-0.2 3,-0.0 4,-0.2 0.946 54.4 151.4 54.4 55.4 8.1 -1.7 18.3 162 177 A N > + 0 0 12 1,-0.2 4,-2.9 2,-0.1 5,-0.3 0.414 29.2 98.7-101.9 -2.7 10.6 -1.4 15.5 163 178 A Y H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 89.6 47.4 -56.7 -43.4 10.1 2.0 13.8 164 179 A S H > S+ 0 0 1 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.863 114.0 47.6 -64.5 -38.4 12.9 3.6 15.8 165 180 A S H > S+ 0 0 0 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.921 112.4 47.7 -69.5 -45.8 15.3 0.7 15.0 166 181 A W H X S+ 0 0 1 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.903 110.4 53.5 -60.7 -41.7 14.4 0.7 11.3 167 182 A H H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.940 106.9 51.2 -57.8 -46.3 14.9 4.4 11.2 168 183 A Y H >X S+ 0 0 9 -4,-1.9 4,-1.7 1,-0.2 3,-0.7 0.935 108.7 52.5 -58.0 -43.9 18.4 4.0 12.7 169 184 A R H 3X S+ 0 0 14 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.874 102.9 57.3 -56.8 -43.3 19.2 1.4 10.0 170 185 A S H 3< S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.799 111.8 43.1 -61.2 -29.3 18.2 3.8 7.2 171 186 A C H << S+ 0 0 32 -4,-1.2 4,-0.3 -3,-0.7 -1,-0.2 0.765 116.5 46.2 -83.9 -31.5 20.8 6.3 8.6 172 187 A L H >X S+ 0 0 5 -4,-1.7 3,-1.1 -5,-0.2 4,-1.1 0.862 102.1 62.2 -80.9 -40.6 23.6 3.7 9.2 173 188 A L H >X S+ 0 0 5 -4,-2.8 3,-1.1 1,-0.3 4,-0.7 0.928 101.0 52.1 -54.3 -52.4 23.4 1.8 5.9 174 189 A P H 34 S+ 0 0 52 0, 0.0 5,-0.3 0, 0.0 -1,-0.3 0.710 105.0 58.9 -54.6 -23.4 24.3 4.8 3.7 175 190 A Q H <4 S+ 0 0 109 -3,-1.1 -2,-0.2 -4,-0.3 -3,-0.1 0.761 100.7 53.2 -78.2 -28.9 27.4 5.3 6.0 176 191 A L H << S+ 0 0 65 -4,-1.1 -1,-0.2 -3,-1.1 -3,-0.1 0.617 121.7 33.3 -75.6 -15.1 28.7 1.9 5.2 177 192 A H S < S- 0 0 63 -4,-0.7 2,-0.7 2,-0.1 -1,-0.2 -0.463 86.0-170.7-135.5 62.6 28.4 2.8 1.5 178 193 A P - 0 0 103 0, 0.0 -3,-0.1 0, 0.0 -5,-0.0 -0.416 5.7-178.4 -72.1 104.3 29.2 6.6 1.5 179 194 A Q 0 0 125 -2,-0.7 -2,-0.1 -5,-0.3 4,-0.0 -0.896 360.0 360.0-105.5 126.3 28.4 8.0 -1.9 180 195 A P 0 0 183 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.162 360.0 360.0 -42.5 360.0 29.0 11.8 -2.6 181 ! 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 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0 0 1 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.890 109.6 49.5 -59.3 -38.2 14.6 -6.3 0.9 193 213 A E H X S+ 0 0 126 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.942 111.7 47.4 -65.9 -47.9 14.9 -9.9 2.2 194 214 A L H X S+ 0 0 37 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.905 115.0 44.3 -60.5 -45.2 15.2 -8.7 5.9 195 215 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.868 108.7 57.6 -72.2 -34.6 12.2 -6.4 5.7 196 216 A Q H X S+ 0 0 30 -4,-2.0 4,-1.7 -5,-0.3 5,-0.2 0.898 105.8 50.7 -61.5 -41.4 10.1 -8.9 3.8 197 217 A N H X S+ 0 0 91 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.893 108.8 54.8 -56.8 -41.8 10.6 -11.3 6.7 198 218 A A H X S+ 0 0 23 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.950 112.1 38.8 -62.5 -51.6 9.5 -8.6 9.1 199 219 A F H < S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.702 115.8 51.5 -80.3 -16.4 6.2 -7.8 7.4 200 220 A F H < S+ 0 0 66 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.801 111.1 49.5 -82.9 -28.5 5.3 -11.4 6.7 201 221 A T H < S+ 0 0 123 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.970 135.2 10.3 -66.0 -55.3 6.1 -12.3 10.3 202 222 A D >< - 0 0 63 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