==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 14-JUN-11 3SFY . COMPND 2 MOLECULE: CRYPTOCOCCUS NEOFORMANS PROTEIN FARNESYLTRANSFERA . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOCOCCUS NEOFORMANS; . AUTHOR M.A.HAST,L.S.BEESE . 797 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 29 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 346 43.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.4 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 2 0 2 0 0 1 3 5 1 7 4 3 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 5 A T 0 0 191 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.7 56.2 -63.4 -3.2 2 6 A Y - 0 0 51 1,-0.1 31,-0.0 0, 0.0 0, 0.0 -0.400 360.0-141.2 -60.2 133.2 52.5 -63.2 -2.4 3 7 A I - 0 0 100 -2,-0.1 5,-0.1 2,-0.0 -1,-0.1 -0.909 21.7-127.8 -97.3 118.6 51.0 -66.4 -1.0 4 8 A P > - 0 0 27 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.319 13.5-123.8 -64.6 148.7 47.4 -66.9 -2.5 5 9 A M G > S+ 0 0 4 1,-0.3 3,-1.2 2,-0.2 6,-0.2 0.756 109.0 67.6 -67.3 -26.3 44.6 -67.4 0.0 6 10 A S G 3 S+ 0 0 84 1,-0.2 -1,-0.3 6,-0.0 -3,-0.0 0.604 102.8 49.5 -63.2 -13.3 43.7 -70.7 -1.7 7 11 A Q G < S+ 0 0 136 -3,-1.6 2,-0.4 3,-0.0 -1,-0.2 0.399 87.8 100.0-107.3 -2.1 47.1 -72.0 -0.4 8 12 A R X - 0 0 92 -3,-1.2 3,-1.6 -4,-0.2 4,-0.3 -0.765 65.8-144.6 -91.0 130.1 46.7 -70.8 3.2 9 13 A R G > S+ 0 0 237 -2,-0.4 3,-1.2 1,-0.3 4,-0.3 0.862 99.4 62.0 -58.5 -39.2 45.7 -73.5 5.8 10 14 A S G 3 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.628 112.3 37.0 -61.5 -15.7 43.7 -71.0 7.7 11 15 A W G X S+ 0 0 19 -3,-1.6 3,-1.8 -6,-0.2 -1,-0.2 0.294 80.8 111.3-121.5 6.5 41.4 -70.4 4.7 12 16 A A T < S+ 0 0 76 -3,-1.2 -2,-0.1 -4,-0.3 -3,-0.1 0.785 75.5 54.5 -56.1 -37.1 41.2 -74.0 3.3 13 17 A D T 3 S+ 0 0 109 -4,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.586 92.0 91.4 -74.1 -12.1 37.5 -74.5 4.1 14 18 A V < - 0 0 12 -3,-1.8 31,-0.0 1,-0.0 -3,-0.0 -0.758 62.5-154.7 -94.8 127.2 36.5 -71.4 2.2 15 19 A K - 0 0 178 -2,-0.5 -2,-0.1 29,-0.1 -3,-0.0 -0.889 26.6-128.3 -93.9 114.6 35.5 -71.5 -1.4 16 20 A P - 0 0 37 0, 0.0 2,-0.5 0, 0.0 25,-0.2 -0.203 14.4-138.6 -61.2 152.2 36.1 -68.0 -2.9 17 21 A I - 0 0 68 23,-2.6 26,-0.3 22,-0.1 27,-0.2 -0.979 17.4-129.3-115.6 127.7 33.3 -66.3 -4.8 18 22 A M - 0 0 93 -2,-0.5 2,-0.2 1,-0.1 431,-0.0 -0.341 31.2 -93.6 -72.1 150.1 34.2 -64.4 -8.0 19 23 A Q - 0 0 49 1,-0.1 2,-0.6 -2,-0.1 -1,-0.1 -0.440 37.9-150.3 -58.7 128.7 33.1 -60.8 -8.7 20 24 A D + 0 0 85 -2,-0.2 429,-0.3 1,-0.1 428,-0.3 -0.664 48.3 131.9-112.0 81.2 29.8 -60.9 -10.6 21 25 A D - 0 0 14 -2,-0.6 414,-0.2 1,-0.4 -1,-0.1 0.088 68.2-121.7-105.5 22.6 29.4 -57.9 -12.9 22 26 A G - 0 0 20 413,-0.1 -1,-0.4 -3,-0.1 2,-0.3 -0.201 50.1 -32.9 75.0-168.1 28.4 -60.2 -15.8 23 27 A P S S+ 0 0 90 0, 0.0 409,-0.0 0, 0.0 408,-0.0 -0.628 122.1 5.2 -87.2 150.3 30.2 -60.5 -19.1 24 28 A N S S- 0 0 110 -2,-0.3 408,-0.2 1,-0.1 407,-0.1 0.866 82.4-166.3 49.9 50.2 31.9 -57.5 -20.8 25 29 A P - 0 0 22 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.327 15.2-126.0 -65.3 149.6 31.4 -55.0 -17.9 26 30 A V S S+ 0 0 17 402,-0.5 381,-0.1 1,-0.2 377,-0.0 -0.464 88.9 23.0 -82.3 169.0 32.0 -51.3 -18.6 27 31 A V S S+ 0 0 22 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.807 80.9 177.2 35.2 49.1 34.4 -49.4 -16.3 28 32 A P - 0 0 32 0, 0.0 364,-2.5 0, 0.0 2,-0.4 -0.507 20.0-140.3 -73.7 146.0 36.3 -52.5 -15.2 29 33 A I B -a 392 0A 8 362,-0.2 2,-0.7 -2,-0.1 365,-0.1 -0.901 14.7-121.4-107.9 134.6 39.3 -51.8 -13.0 30 34 A M - 0 0 93 362,-2.6 2,-0.3 -2,-0.4 367,-0.2 -0.653 38.7-157.0 -73.7 110.9 42.6 -53.6 -13.3 31 35 A Y - 0 0 55 -2,-0.7 363,-0.1 1,-0.1 364,-0.1 -0.706 14.5-116.8 -95.3 145.3 43.0 -55.2 -9.8 32 36 A S > - 0 0 56 -2,-0.3 4,-2.5 362,-0.2 5,-0.2 -0.350 30.1-114.3 -64.4 155.0 46.1 -56.3 -8.2 33 37 A E H > S+ 0 0 112 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 118.2 54.6 -56.0 -44.5 46.3 -60.0 -7.4 34 38 A E H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 110.7 43.4 -58.2 -42.5 46.3 -59.1 -3.7 35 39 A Y H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 114.6 48.2 -74.7 -45.0 43.1 -57.1 -4.0 36 40 A K H X S+ 0 0 96 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.927 113.5 48.2 -57.0 -47.7 41.2 -59.6 -6.2 37 41 A D H X S+ 0 0 21 -4,-2.6 4,-1.8 -5,-0.2 5,-0.2 0.941 112.1 48.2 -62.0 -49.1 42.2 -62.5 -3.9 38 42 A A H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.898 114.6 46.5 -57.9 -44.1 41.1 -60.6 -0.7 39 43 A M H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.838 106.5 57.4 -70.7 -34.5 37.8 -59.6 -2.3 40 44 A D H X S+ 0 0 7 -4,-2.5 -23,-2.6 2,-0.2 4,-1.1 0.877 113.7 40.8 -59.1 -40.3 37.1 -63.1 -3.6 41 45 A Y H X S+ 0 0 6 -4,-1.8 4,-2.6 -25,-0.2 -2,-0.2 0.849 111.3 56.1 -80.7 -33.8 37.4 -64.4 -0.1 42 46 A F H X S+ 0 0 4 -4,-2.5 4,-3.2 -5,-0.2 5,-0.3 0.909 104.1 54.1 -58.7 -43.7 35.5 -61.4 1.3 43 47 A R H X S+ 0 0 9 -4,-2.7 4,-1.9 -26,-0.3 -1,-0.2 0.895 112.0 45.1 -56.7 -40.3 32.6 -62.2 -1.0 44 48 A A H X S+ 0 0 7 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.921 115.2 46.5 -68.3 -47.9 32.5 -65.8 0.4 45 49 A I H X>S+ 0 0 1 -4,-2.6 5,-2.1 1,-0.2 4,-0.5 0.927 115.8 45.2 -57.9 -50.4 32.9 -64.6 4.1 46 50 A A H ><5S+ 0 0 29 -4,-3.2 3,-0.5 3,-0.2 -1,-0.2 0.864 109.9 54.7 -69.4 -35.5 30.2 -62.0 3.7 47 51 A A H 3<5S+ 0 0 69 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.941 114.0 40.7 -62.6 -46.0 27.8 -64.3 1.8 48 52 A K H 3<5S- 0 0 118 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.494 108.5-130.0 -78.6 -3.9 28.0 -66.9 4.7 49 53 A E T <<5 - 0 0 141 -3,-0.5 2,-0.3 -4,-0.5 -3,-0.2 0.820 38.1-178.1 55.2 38.7 27.8 -64.0 7.2 50 54 A E < - 0 0 24 -5,-2.1 2,-0.7 -6,-0.2 -1,-0.2 -0.502 16.3-164.0 -69.7 126.8 30.9 -65.3 9.1 51 55 A K + 0 0 74 -2,-0.3 2,-0.3 31,-0.1 -1,-0.1 -0.883 39.0 126.6-113.2 96.3 31.8 -63.2 12.1 52 56 A S S > S- 0 0 25 -2,-0.7 4,-2.0 1,-0.1 5,-0.1 -0.903 73.0-102.6-144.3 166.8 35.3 -64.3 13.0 53 57 A E H > S+ 0 0 82 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.877 121.3 53.4 -58.9 -41.9 38.8 -63.0 13.7 54 58 A R H > S+ 0 0 45 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.921 109.0 49.2 -64.5 -39.0 39.9 -64.1 10.2 55 59 A A H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.886 110.6 51.2 -63.4 -39.2 37.1 -62.1 8.7 56 60 A L H X S+ 0 0 14 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.948 110.8 47.8 -60.9 -49.8 38.2 -59.2 10.9 57 61 A E H X S+ 0 0 125 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.912 110.0 53.4 -56.7 -46.1 41.8 -59.5 9.6 58 62 A L H X S+ 0 0 8 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.892 105.3 53.0 -58.7 -41.3 40.5 -59.8 6.0 59 63 A T H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.895 108.7 50.7 -64.9 -35.7 38.5 -56.5 6.3 60 64 A E H X S+ 0 0 48 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.911 108.2 52.3 -63.5 -44.6 41.7 -54.8 7.5 61 65 A I H X S+ 0 0 88 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.901 113.4 45.4 -53.8 -43.6 43.6 -56.1 4.6 62 66 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.5 0.952 110.8 48.3 -72.8 -49.5 41.0 -54.7 2.2 63 67 A V H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.722 106.8 58.9 -68.6 -21.1 40.4 -51.3 3.7 64 68 A R H < S+ 0 0 74 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.880 113.1 39.1 -67.2 -38.9 44.2 -50.7 3.7 65 69 A M H < S+ 0 0 58 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.1 0.833 136.5 19.3 -77.0 -34.7 44.2 -51.3 -0.1 66 70 A N >< - 0 0 1 -4,-2.7 3,-1.9 -5,-0.1 -1,-0.3 -0.717 62.5-179.0-140.8 88.9 41.0 -49.4 -0.5 67 71 A P T 3 S+ 0 0 24 0, 0.0 39,-0.2 0, 0.0 40,-0.2 0.597 83.5 59.6 -63.2 -11.6 40.0 -47.0 2.3 68 72 A A T 3 + 0 0 29 38,-0.1 2,-1.9 37,-0.1 3,-0.1 0.361 66.8 119.4-100.6 6.3 36.8 -46.0 0.5 69 73 A H X> - 0 0 0 -3,-1.9 4,-1.9 1,-0.2 3,-0.6 -0.468 40.0-178.4 -73.3 84.4 35.3 -49.5 0.4 70 74 A Y H 3> S+ 0 0 14 -2,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.825 75.5 55.9 -59.7 -35.9 32.1 -48.6 2.4 71 75 A T H 3> S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.905 108.8 46.8 -60.3 -45.0 30.7 -52.2 2.3 72 76 A V H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.889 111.8 50.9 -67.7 -38.7 33.9 -53.6 3.8 73 77 A W H X S+ 0 0 11 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.878 110.0 50.5 -60.3 -43.3 34.0 -50.9 6.5 74 78 A Q H X S+ 0 0 37 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.920 112.0 47.0 -61.7 -45.1 30.3 -51.7 7.3 75 79 A Y H X S+ 0 0 17 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.893 109.3 55.6 -64.8 -39.8 31.2 -55.4 7.6 76 80 A R H X S+ 0 0 6 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.921 106.9 48.7 -57.1 -47.1 34.2 -54.5 9.8 77 81 A F H X S+ 0 0 33 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.901 109.0 53.4 -63.7 -37.9 32.0 -52.6 12.3 78 82 A S H X S+ 0 0 27 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.870 109.4 49.9 -58.6 -41.2 29.6 -55.5 12.5 79 83 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 6,-0.3 0.917 106.8 53.9 -63.1 -45.9 32.5 -57.8 13.3 80 84 A L H <>S+ 0 0 3 -4,-2.3 5,-2.4 1,-0.2 4,-0.3 0.897 115.6 39.6 -56.5 -42.3 33.8 -55.4 16.1 81 85 A T H ><5S+ 0 0 37 -4,-1.9 3,-0.5 3,-0.2 -2,-0.2 0.898 115.5 49.7 -80.4 -39.2 30.4 -55.5 17.8 82 86 A S H 3<5S+ 0 0 72 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.907 117.4 41.3 -60.8 -43.7 29.6 -59.2 17.2 83 87 A L T 3<5S- 0 0 52 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.471 105.7-129.7 -84.6 -4.5 33.0 -60.2 18.5 84 88 A N T < 5 - 0 0 146 -3,-0.5 -3,-0.2 -4,-0.3 -4,-0.1 0.912 43.1-178.1 54.7 43.0 32.8 -57.7 21.4 85 89 A K < - 0 0 69 -5,-2.4 2,-0.6 -6,-0.3 -1,-0.1 -0.309 39.3 -87.1 -68.4 155.7 36.3 -56.5 20.3 86 90 A S > - 0 0 47 1,-0.2 4,-1.4 2,-0.1 -1,-0.1 -0.548 36.8-165.4 -63.9 111.4 38.1 -53.7 22.2 87 91 A L H > S+ 0 0 18 -2,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.768 88.0 60.0 -73.0 -23.7 36.8 -50.5 20.5 88 92 A E H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 103.6 50.5 -67.3 -42.0 39.6 -48.6 22.2 89 93 A D H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.876 108.8 52.9 -58.4 -41.1 42.2 -50.8 20.4 90 94 A E H X S+ 0 0 9 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.873 105.7 52.5 -66.0 -38.9 40.3 -50.1 17.2 91 95 A L H X S+ 0 0 24 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.899 108.6 51.5 -59.9 -41.8 40.6 -46.3 17.8 92 96 A R H X S+ 0 0 136 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.869 109.2 50.5 -60.6 -39.4 44.3 -46.8 18.2 93 97 A L H X S+ 0 0 21 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.905 107.6 52.2 -65.3 -41.7 44.3 -48.7 14.9 94 98 A M H X S+ 0 0 2 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.867 109.3 50.9 -61.8 -36.2 42.4 -45.8 13.3 95 99 A N H X S+ 0 0 50 -4,-2.1 4,-1.7 2,-0.2 3,-0.4 0.950 108.9 50.3 -59.8 -51.5 45.2 -43.5 14.8 96 100 A E H X S+ 0 0 105 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.830 105.5 57.9 -56.4 -36.2 47.8 -45.9 13.2 97 101 A F H <>S+ 0 0 1 -4,-2.4 5,-1.6 2,-0.2 3,-0.5 0.909 104.0 52.2 -56.0 -44.6 45.9 -45.5 9.9 98 102 A A H ><5S+ 0 0 50 -4,-1.5 3,-1.6 -3,-0.4 -2,-0.2 0.901 105.2 53.4 -61.3 -43.2 46.4 -41.7 10.1 99 103 A V H 3<5S+ 0 0 131 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.761 110.1 50.3 -61.4 -25.5 50.2 -42.2 10.5 100 104 A Q T 3<5S- 0 0 100 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.194 118.0-112.2-101.4 13.5 50.1 -44.3 7.3 101 105 A N T < 5 + 0 0 148 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.296 65.4 145.7 82.3 -4.3 48.1 -41.7 5.3 102 106 A L < + 0 0 36 -5,-1.6 2,-0.3 -8,-0.0 -1,-0.2 -0.547 19.4 151.4 -77.4 118.1 44.8 -43.6 4.9 103 107 A K + 0 0 86 -2,-0.5 2,-0.2 4,-0.0 3,-0.1 -0.923 4.3 126.2-142.4 159.6 41.7 -41.3 5.0 104 108 A S S > S- 0 0 17 -2,-0.3 4,-1.5 1,-0.1 5,-0.3 -0.953 70.0 -70.3 172.9 174.5 38.0 -41.0 3.7 105 109 A Y H > S+ 0 0 65 -2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.788 131.8 50.7 -46.2 -26.9 34.2 -40.5 4.2 106 110 A Q H > S+ 0 0 24 -39,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.852 102.4 51.6 -91.6 -40.7 34.6 -44.0 5.8 107 111 A V H > S+ 0 0 12 2,-0.2 4,-1.7 1,-0.2 -2,-0.1 0.881 115.6 42.8 -66.6 -41.0 37.6 -43.7 8.2 108 112 A W H X S+ 0 0 27 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.882 114.3 51.0 -72.5 -38.6 36.1 -40.6 9.9 109 113 A H H X S+ 0 0 31 -4,-0.9 4,-2.5 -5,-0.3 -2,-0.2 0.893 108.5 52.0 -64.9 -37.8 32.6 -42.2 9.9 110 114 A H H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.906 108.5 51.9 -61.6 -44.2 34.1 -45.4 11.5 111 115 A R H X S+ 0 0 7 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.917 108.6 50.8 -57.3 -45.2 35.6 -43.2 14.2 112 116 A L H X S+ 0 0 33 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6.7 182 186 A N X> - 0 0 2 -3,-1.8 4,-1.5 1,-0.2 3,-0.9 -0.648 43.1-175.4 -80.8 92.3 40.4 -20.0 7.9 183 187 A N H 3> S+ 0 0 1 -2,-1.5 4,-2.1 439,-0.4 -1,-0.2 0.747 78.7 63.0 -60.2 -26.9 36.7 -20.1 7.2 184 188 A S H 3> S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.875 104.5 46.5 -66.1 -37.8 36.3 -23.5 8.8 185 189 A A H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.825 108.6 54.7 -76.6 -31.7 37.4 -22.0 12.2 186 190 A W H X S+ 0 0 2 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.899 107.4 52.2 -61.8 -40.5 35.0 -19.1 11.7 187 191 A G H X S+ 0 0 11 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.908 109.9 48.1 -59.9 -44.5 32.3 -21.7 11.2 188 192 A W H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.923 107.8 54.2 -63.9 -45.2 33.3 -23.4 14.5 189 193 A R H X S+ 0 0 11 -4,-2.7 4,-2.9 1,-0.2 5,-0.4 0.930 105.6 55.3 -52.0 -43.8 33.4 -20.0 16.3 190 194 A W H X>S+ 0 0 16 -4,-2.3 4,-2.6 1,-0.2 5,-2.1 0.915 109.7 45.4 -57.2 -46.2 29.8 -19.6 15.1 191 195 A Y H <>S+ 0 0 2 -4,-1.8 5,-2.2 3,-0.2 -1,-0.2 0.939 115.8 46.7 -59.3 -48.6 28.8 -22.9 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B D S S+ 0 0 92 -2,-0.3 5,-0.1 6,-0.1 -2,-0.0 0.458 86.4 103.1 -82.9 -3.0 11.9 -49.3 -22.8 472 157 B S S > S- 0 0 44 1,-0.1 3,-1.2 3,-0.0 6,-0.5 -0.099 92.0 -94.3 -70.6 177.3 12.6 -52.6 -24.5 473 158 B S T 3 S+ 0 0 89 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.737 127.8 40.0 -67.0 -23.4 13.2 -55.9 -22.7 474 159 B T T 3 S+ 0 0 87 1,-0.1 -1,-0.2 4,-0.0 -43,-0.1 0.284 93.4 90.1-104.4 8.7 17.0 -55.4 -22.7 475 160 B G S < S- 0 0 0 -3,-1.2 -5,-1.7 -6,-0.1 2,-0.3 0.415 85.7-130.9 -91.7 0.3 16.8 -51.6 -21.9 476 161 B G B > S+d 470 0D 0 -3,-0.2 4,-2.0 -7,-0.2 5,-0.1 0.106 85.7 96.2 78.5 -26.1 16.9 -51.7 -18.1 477 162 B W H > S+ 0 0 16 -7,-1.3 4,-2.4 -2,-0.3 5,-0.1 0.913 83.3 54.2 -63.2 -41.3 14.0 -49.4 -17.5 478 163 B K H > S+ 0 0 100 -6,-0.5 4,-2.1 -8,-0.4 -1,-0.2 0.879 107.6 50.6 -59.3 -41.2 11.6 -52.4 -17.1 479 164 B D H > S+ 0 0 59 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.886 109.6 50.6 -61.6 -42.1 14.0 -53.8 -14.4 480 165 B L H < S+ 0 0 0 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.901 108.5 52.4 -62.3 -42.1 13.9 -50.4 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15.7 -49.5 0.9 491 176 B F H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.925 110.6 49.3 -59.1 -44.4 15.0 -45.7 1.1 492 177 B M H >< S+ 0 0 31 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.842 107.6 54.1 -65.4 -35.1 12.7 -46.3 4.1 493 178 B R H 3< S+ 0 0 132 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.856 108.1 51.6 -62.2 -35.5 15.5 -48.4 5.8 494 179 B C H 3< S+ 0 0 2 -4,-1.9 8,-2.5 -5,-0.1 -1,-0.2 0.669 89.8 109.6 -72.4 -17.7 17.8 -45.5 5.3 495 180 B K B << -E 501 0E 33 -4,-0.7 6,-0.2 -3,-0.5 5,-0.0 -0.406 50.9-161.2 -76.2 133.7 15.4 -43.0 6.9 496 181 B R > - 0 0 99 4,-2.8 3,-1.9 -2,-0.2 -2,-0.0 -0.802 30.2-116.1-105.9 151.4 16.0 -41.4 10.3 497 182 B P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.771 111.4 61.8 -61.3 -25.3 13.3 -39.9 12.4 498 183 B D T 3 S- 0 0 22 61,-0.1 40,-0.1 1,-0.1 3,-0.1 0.545 123.4 -98.1 -77.7 -6.7 14.8 -36.4 12.2 499 184 B G S < S+ 0 0 0 -3,-1.9 40,-0.1 1,-0.4 2,-0.1 0.271 87.8 119.1 106.5 -8.5 14.5 -36.3 8.4 500 185 B G - 0 0 0 38,-0.1 -4,-2.8 53,-0.1 -1,-0.4 -0.397 51.0-145.1 -79.4 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-2,-0.2 0.887 110.1 56.0 -64.9 -42.2 28.7 -26.3 -15.4 702 418 B L H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.909 106.0 52.7 -53.1 -43.2 29.7 -25.1 -18.9 703 419 B S H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.924 107.3 50.2 -62.4 -46.1 26.2 -26.2 -20.1 704 420 B I H < S+ 0 0 6 -4,-1.7 5,-0.3 1,-0.2 -1,-0.2 0.839 113.3 47.3 -58.6 -37.1 24.5 -24.1 -17.4 705 421 B A H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.856 113.9 46.6 -74.2 -37.5 26.6 -21.1 -18.3 706 422 B Q H < S+ 0 0 0 -4,-2.4 63,-2.6 -5,-0.2 2,-0.5 0.841 114.8 48.4 -72.5 -34.6 26.0 -21.5 -22.1 707 423 B H S < S- 0 0 0 -4,-2.3 2,-0.9 61,-0.2 -1,-0.2 -0.935 79.7-132.3-119.9 121.3 22.2 -22.0 -21.8 708 424 B K - 0 0 35 -2,-0.5 56,-3.1 56,-0.3 2,-0.4 -0.556 29.6-162.7 -69.5 105.7 19.9 -19.8 -19.7 709 425 B M E +L 763 0L 19 -2,-0.9 2,-0.3 -5,-0.3 54,-0.2 -0.801 12.7 174.2 -98.5 130.9 17.8 -22.3 -17.7 710 426 B S E -L 762 0L 28 52,-2.5 52,-3.1 -2,-0.4 2,-0.7 -0.952 34.4-127.8-127.7 151.1 14.5 -21.3 -16.1 711 427 B H E -L 761 0L 5 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0 154 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.748 113.8 40.0 -66.7 -28.8 -3.0 -30.0 -18.5 722 438 B K H < S+ 0 0 133 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.573 86.9 117.3 -98.1 -11.2 -1.6 -33.0 -20.4 723 439 B F < - 0 0 24 -4,-1.3 2,-0.7 -3,-0.4 29,-0.1 -0.301 53.5-149.3 -61.2 136.0 -1.0 -35.4 -17.4 724 440 B D > - 0 0 67 1,-0.1 3,-1.3 76,-0.1 -1,-0.1 -0.893 14.0-177.4-110.7 101.8 -3.0 -38.6 -17.5 725 441 B A T 3 S+ 0 0 41 -2,-0.7 -1,-0.1 1,-0.3 26,-0.0 0.629 78.9 68.3 -73.9 -15.7 -3.7 -39.7 -13.9 726 442 B S T 3 S+ 0 0 104 22,-0.0 2,-0.4 2,-0.0 -1,-0.3 0.578 92.5 73.0 -78.4 -9.9 -5.5 -42.9 -15.0 727 443 B K < + 0 0 98 -3,-1.3 2,-0.3 73,-0.1 -3,-0.1 -0.888 65.8 106.1-108.2 135.0 -2.1 -44.2 -16.2 728 444 B G - 0 0 38 -2,-0.4 72,-0.1 73,-0.1 3,-0.1 -0.919 61.0 -89.2 171.0 164.8 0.6 -45.3 -13.8 729 445 B L - 0 0 40 70,-0.6 3,-0.1 -2,-0.3 70,-0.0 -0.406 68.6 -65.9 -85.5 166.3 2.6 -48.1 -12.2 730 446 B P - 0 0 101 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.262 58.9-104.2 -59.4 138.9 1.4 -49.8 -9.0 731 447 B A - 0 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1,-0.1 -1,-0.2 -212,-0.1 6,-0.1 -0.459 51.1-114.0 -65.6 146.7 -1.3 -40.7 0.6 742 458 B K S S- 0 0 167 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.824 85.9 -20.5 -57.6 -37.6 -4.7 -40.3 2.4 743 459 B N S > S- 0 0 65 1,-0.1 4,-2.1 0, 0.0 5,-0.1 -0.920 74.7 -83.2-159.0-174.6 -6.5 -41.4 -0.8 744 460 B E H > S+ 0 0 102 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.839 121.2 54.3 -74.0 -35.0 -6.4 -41.8 -4.5 745 461 B D H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 112.3 46.2 -59.3 -42.6 -7.3 -38.1 -5.3 746 462 B E H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.889 113.1 48.2 -69.1 -40.2 -4.4 -37.0 -3.1 747 463 B R H X S+ 0 0 41 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.939 113.3 47.0 -66.2 -47.0 -1.9 -39.5 -4.6 748 464 B Q H X S+ 0 0 31 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.875 110.9 52.1 -63.3 -39.0 -2.9 -38.6 -8.2 749 465 B N H X S+ 0 0 69 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.912 111.6 47.7 -62.5 -40.4 -2.6 -34.9 -7.4 750 466 B A H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.920 111.3 49.7 -64.2 -47.6 0.9 -35.6 -5.9 751 467 B R H X S+ 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