==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 26-JUN-07 2Z4X . COMPND 2 MOLECULE: GERANYLGERANYL PYROPHOSPHATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.T.GUO,C.K.-M.CHEN,M.HUDOCK,R.CAO,E.OLDFIELD,A.H.-J.WANG . 571 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 78.3 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 . 6 1.1 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 . 2 0.4 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 371 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 0 5 0 2 0 2 0 1 2 4 0 1 2 0 2 0 0 1 0 0 0 3 2 0 0 0 2 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 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 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 4 A N > 0 0 140 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -32.8 29.3 41.6 68.9 2 5 A K H > + 0 0 151 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.905 360.0 38.2 -62.0 -40.8 27.1 43.9 66.7 3 6 A M H >> S+ 0 0 36 2,-0.2 4,-3.1 1,-0.2 3,-1.2 0.958 111.0 55.9 -73.2 -53.3 24.8 40.9 66.0 4 7 A E H 3> S+ 0 0 89 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.790 109.1 53.8 -48.4 -27.2 25.0 39.4 69.5 5 8 A A H 3X S+ 0 0 48 -4,-1.5 4,-1.8 2,-0.2 -1,-0.3 0.808 106.2 47.3 -80.3 -33.9 23.8 42.8 70.5 6 9 A K H < S+ 0 0 26 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.948 113.3 40.7 -52.2 -54.7 15.5 41.0 70.6 11 14 A I H 3< S+ 0 0 12 -4,-2.9 -1,-0.2 1,-0.2 469,-0.2 0.689 109.7 58.7 -75.4 -15.8 15.2 38.4 73.3 12 15 A N H 3< S+ 0 0 83 -4,-1.3 2,-0.3 -3,-0.3 -1,-0.2 0.493 104.0 61.1 -90.7 -0.5 15.0 40.9 76.1 13 16 A N S << S- 0 0 93 -3,-1.1 3,-0.1 -4,-0.6 -4,-0.0 -0.775 93.6 -90.2-122.7 163.4 11.9 42.6 74.7 14 17 A D - 0 0 145 -2,-0.3 -1,-0.1 1,-0.1 437,-0.1 -0.318 66.0 -79.2 -63.7 153.6 8.4 41.7 73.9 15 18 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.324 50.8-112.6 -57.5 141.7 7.9 40.5 70.3 16 19 A V + 0 0 77 -3,-0.1 2,-0.3 431,-0.1 435,-0.1 -0.584 41.1 171.2 -80.3 131.9 7.8 43.3 67.7 17 20 A W - 0 0 44 -2,-0.3 2,-0.1 434,-0.0 407,-0.0 -0.836 14.7-155.1-145.2 112.4 4.5 43.8 66.0 18 21 A S > - 0 0 38 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.321 29.0-121.9 -86.5 160.3 3.7 46.8 63.7 19 22 A S H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.846 119.2 56.6 -66.9 -29.2 0.3 48.3 62.8 20 23 A Q H > S+ 0 0 130 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.938 106.1 47.9 -64.2 -48.5 1.4 47.5 59.2 21 24 A N H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.917 109.5 54.6 -55.4 -47.3 1.8 43.8 60.2 22 25 A E H X S+ 0 0 38 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.902 109.2 47.5 -55.3 -43.9 -1.7 43.9 61.8 23 26 A S H < S+ 0 0 76 -4,-1.9 4,-0.4 2,-0.2 3,-0.4 0.924 108.9 53.7 -66.2 -45.2 -3.3 45.2 58.6 24 27 A L H >< S+ 0 0 37 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.955 112.6 42.5 -56.0 -48.7 -1.6 42.6 56.4 25 28 A I H 3< S+ 0 0 6 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.678 106.1 64.5 -76.0 -11.6 -2.9 39.7 58.5 26 29 A S T 3X + 0 0 11 -4,-1.0 4,-2.7 -3,-0.4 3,-0.4 0.479 69.4 104.3 -88.3 0.9 -6.3 41.2 58.9 27 30 A K H <> S+ 0 0 76 -3,-1.2 4,-1.9 -4,-0.4 -1,-0.2 0.852 78.5 48.4 -51.1 -47.5 -7.2 41.0 55.2 28 31 A P H > S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.870 114.9 46.3 -62.2 -39.2 -9.6 38.0 55.4 29 32 A Y H > S+ 0 0 16 -3,-0.4 4,-1.5 -4,-0.2 -2,-0.2 0.934 111.0 50.7 -71.9 -43.8 -11.5 39.4 58.3 30 33 A N H X S+ 0 0 80 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.865 106.5 57.8 -64.1 -30.8 -11.8 42.9 56.8 31 34 A H H >< S+ 0 0 36 -4,-1.9 3,-0.6 -5,-0.3 -1,-0.2 0.926 105.8 46.7 -63.2 -44.8 -13.2 41.4 53.6 32 35 A I H 3< S+ 0 0 7 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.755 97.0 72.3 -73.7 -20.7 -16.1 39.6 55.4 33 36 A L H 3< 0 0 70 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.923 360.0 360.0 -56.0 -40.3 -17.0 42.8 57.3 34 37 A L << 0 0 129 -4,-1.0 -1,-0.1 -3,-0.6 48,-0.1 -0.286 360.0 360.0 -52.7 360.0 -18.3 44.1 54.0 35 ! 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 36 46 A N > 0 0 162 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -8.3 -30.0 44.1 66.1 37 47 A L H > + 0 0 52 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.870 360.0 51.5 -70.1 -39.0 -30.6 41.3 68.6 38 48 A I H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.944 109.4 49.8 -64.7 -44.8 -28.2 42.8 71.1 39 49 A V H 4 S+ 0 0 89 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.950 114.9 46.3 -58.5 -45.7 -30.0 46.1 70.9 40 50 A Q H >< S+ 0 0 72 -4,-2.1 3,-2.3 1,-0.2 4,-0.2 0.971 111.2 48.2 -59.6 -59.0 -33.3 44.3 71.4 41 51 A I H >X S+ 0 0 11 -4,-3.0 3,-1.6 1,-0.3 4,-1.4 0.806 103.1 66.0 -51.8 -32.8 -32.3 42.1 74.3 42 52 A N H 3X S+ 0 0 23 -4,-2.0 4,-2.6 1,-0.3 -1,-0.3 0.649 78.7 78.8 -67.0 -17.6 -30.8 45.2 76.0 43 53 A R H <4 S+ 0 0 168 -3,-2.3 -1,-0.3 -4,-0.5 -2,-0.2 0.665 109.8 29.1 -64.8 -13.0 -34.3 46.8 76.4 44 54 A V H <4 S+ 0 0 103 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.2 0.707 122.3 47.6-113.3 -38.4 -34.6 44.4 79.3 45 55 A M H < S- 0 0 20 -4,-1.4 137,-0.2 135,-0.1 -3,-0.2 0.810 84.6-159.6 -74.9 -33.4 -31.0 43.9 80.5 46 56 A N < - 0 0 121 -4,-2.6 -3,-0.1 1,-0.2 -4,-0.1 0.953 15.1-176.4 49.0 69.5 -30.3 47.7 80.4 47 57 A L - 0 0 10 -5,-0.2 -1,-0.2 1,-0.1 133,-0.1 -0.670 34.1-100.4 -94.0 147.5 -26.5 47.7 80.3 48 58 A P > - 0 0 69 0, 0.0 4,-1.9 0, 0.0 3,-0.3 -0.252 41.6-111.1 -57.5 160.8 -24.5 50.8 80.4 49 59 A K H > S+ 0 0 185 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.799 111.3 55.0 -73.1 -29.0 -23.4 51.8 76.8 50 60 A D H > S+ 0 0 116 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.836 112.3 46.5 -74.2 -23.5 -19.7 51.2 76.9 51 61 A Q H > S+ 0 0 32 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.897 110.6 51.7 -76.7 -42.7 -20.3 47.6 78.1 52 62 A L H X S+ 0 0 34 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.868 107.6 54.1 -59.9 -37.9 -23.0 47.0 75.5 53 63 A A H X S+ 0 0 52 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.863 110.3 45.6 -63.2 -40.4 -20.5 48.3 72.8 54 64 A I H X S+ 0 0 17 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.897 109.9 52.7 -71.9 -40.8 -17.9 45.7 74.0 55 65 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.916 111.5 50.6 -60.2 -38.9 -20.4 42.8 74.1 56 66 A S H X S+ 0 0 49 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.897 108.5 48.5 -66.1 -42.3 -21.2 43.8 70.6 57 67 A Q H X S+ 0 0 92 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.915 112.5 50.9 -62.4 -44.4 -17.6 43.9 69.4 58 68 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.934 112.1 44.0 -58.0 -52.5 -17.1 40.4 71.0 59 69 A V H X S+ 0 0 23 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.828 114.1 51.9 -62.8 -34.9 -20.1 38.8 69.4 60 70 A E H X S+ 0 0 93 -4,-2.0 4,-2.4 -5,-0.2 5,-0.3 0.901 110.1 47.7 -68.9 -42.6 -19.2 40.5 66.0 61 71 A L H X S+ 0 0 22 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.940 116.4 44.4 -64.6 -47.4 -15.6 39.1 66.1 62 72 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.910 114.6 48.2 -65.3 -44.3 -16.8 35.6 67.0 63 73 A H H X S+ 0 0 77 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.983 115.8 41.6 -61.7 -51.9 -19.6 35.6 64.5 64 74 A N H X S+ 0 0 6 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.887 116.3 49.2 -63.4 -37.6 -17.6 36.8 61.5 65 75 A S H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.877 108.2 53.5 -69.3 -40.1 -14.6 34.7 62.3 66 76 A S H X S+ 0 0 21 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.817 108.0 52.1 -66.3 -31.6 -16.8 31.6 62.7 67 77 A L H X S+ 0 0 19 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.868 103.7 55.6 -73.7 -35.4 -18.2 32.2 59.2 68 78 A L H X S+ 0 0 4 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.922 114.9 40.3 -60.3 -42.0 -14.7 32.5 57.7 69 79 A I H X S+ 0 0 4 -4,-1.5 4,-2.8 2,-0.2 3,-0.5 0.920 114.0 53.0 -71.8 -47.8 -13.9 29.0 59.1 70 80 A D H X S+ 0 0 26 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.888 106.5 53.9 -55.5 -38.9 -17.4 27.6 58.3 71 81 A D H <>S+ 0 0 7 -4,-2.7 5,-2.4 2,-0.2 4,-0.4 0.859 110.3 45.1 -66.9 -30.8 -17.1 28.7 54.7 72 82 A I H ><5S+ 0 0 15 -4,-1.1 3,-1.5 -3,-0.5 -2,-0.2 0.949 114.3 50.2 -72.9 -45.9 -13.8 26.9 54.3 73 83 A E H 3<5S+ 0 0 6 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.846 116.7 41.8 -58.9 -34.2 -15.4 23.8 56.1 74 84 A D T 3<5S- 0 0 12 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.387 106.2-124.8 -94.5 3.3 -18.4 24.0 53.7 75 85 A N T < 5 - 0 0 131 -3,-1.5 -3,-0.2 -4,-0.4 -4,-0.1 0.876 46.6-179.5 55.4 37.5 -16.4 24.7 50.5 76 86 A A < - 0 0 10 -5,-2.4 -1,-0.2 -6,-0.2 8,-0.2 -0.585 27.3-167.9 -78.2 129.7 -18.5 27.8 50.0 77 87 A P S S+ 0 0 59 0, 0.0 7,-1.8 0, 0.0 2,-0.3 0.781 72.7 37.2 -83.2 -25.8 -18.0 30.1 47.0 78 88 A L E +A 83 0A 83 5,-0.3 2,-0.3 -7,-0.0 5,-0.2 -0.962 53.1 173.8-134.7 143.7 -20.1 33.0 48.2 79 89 A R E > S-A 82 0A 69 3,-2.9 3,-2.1 -2,-0.3 -11,-0.0 -0.967 78.3 -4.5-146.3 127.8 -20.8 34.7 51.5 80 90 A R T 3 S- 0 0 118 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.873 129.9 -56.9 56.5 38.1 -22.9 38.0 51.8 81 91 A G T 3 S+ 0 0 74 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.490 121.6 92.0 75.1 0.8 -23.2 38.2 48.1 82 92 A Q E < S-A 79 0A 84 -3,-2.1 -3,-2.9 -48,-0.1 -1,-0.2 -0.868 88.3 -80.0-126.0 164.1 -19.4 38.2 47.6 83 93 A T E -A 78 0A 68 -2,-0.3 -5,-0.3 -5,-0.2 -1,-0.1 -0.288 59.1-104.1 -54.5 137.3 -16.6 35.7 46.9 84 94 A T >> - 0 0 1 -7,-1.8 3,-1.2 -8,-0.2 4,-1.0 -0.300 25.3-116.2 -66.6 153.4 -15.6 34.0 50.2 85 95 A S H >>>S+ 0 0 4 1,-0.3 4,-3.0 2,-0.2 3,-0.8 0.864 111.2 60.4 -58.7 -39.4 -12.3 35.1 51.8 86 96 A H H 3>5S+ 0 0 15 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.762 102.5 53.7 -64.9 -21.9 -10.6 31.8 51.4 87 97 A L H <45S+ 0 0 100 -3,-1.2 -1,-0.3 3,-0.2 -2,-0.2 0.735 118.0 36.5 -79.8 -21.8 -11.0 32.0 47.6 88 98 A I H <<5S+ 0 0 80 -4,-1.0 -2,-0.2 -3,-0.8 -3,-0.1 0.908 133.0 20.8 -91.5 -52.3 -9.3 35.3 47.6 89 99 A F H <5S- 0 0 44 -4,-3.0 4,-0.4 1,-0.2 -3,-0.2 0.551 112.3-106.3 -96.0 -8.7 -6.6 35.2 50.2 90 100 A G X< - 0 0 22 -4,-0.7 4,-1.7 -5,-0.6 5,-0.2 0.033 27.2 -87.5 98.9 152.3 -6.2 31.4 50.4 91 101 A V H > S+ 0 0 47 -5,-0.2 4,-2.8 2,-0.2 5,-0.3 0.944 120.9 57.1 -60.1 -46.2 -7.3 28.8 53.0 92 102 A P H > S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.944 111.1 40.0 -53.4 -56.6 -4.0 29.2 55.0 93 103 A S H > S+ 0 0 11 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.875 115.7 52.5 -61.6 -37.6 -4.3 33.0 55.7 94 104 A T H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.929 110.5 46.2 -67.8 -45.0 -8.1 32.8 56.3 95 105 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 5,-0.2 0.955 114.7 47.3 -59.6 -46.9 -7.9 30.0 58.8 96 106 A N H X S+ 0 0 3 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.914 114.0 46.7 -65.5 -39.9 -5.1 31.8 60.7 97 107 A T H X S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.927 111.6 51.1 -69.1 -41.5 -6.8 35.2 60.7 98 108 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.927 112.5 45.8 -57.5 -43.0 -10.1 33.7 61.8 99 109 A N H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.849 109.3 56.2 -69.3 -33.6 -8.4 31.9 64.7 100 110 A Y H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 3,-0.3 0.929 105.8 52.0 -63.9 -40.0 -6.5 35.1 65.6 101 111 A M H X S+ 0 0 11 -4,-2.4 4,-2.7 1,-0.3 -1,-0.2 0.829 100.0 61.1 -70.3 -29.1 -9.8 37.0 65.9 102 112 A Y H X S+ 0 0 7 -4,-1.5 4,-2.0 1,-0.2 -1,-0.3 0.913 109.2 44.1 -60.7 -40.9 -11.2 34.4 68.3 103 113 A F H X S+ 0 0 1 -4,-1.3 4,-1.7 -3,-0.3 -2,-0.2 0.825 110.2 53.2 -76.3 -27.8 -8.3 35.3 70.6 104 114 A R H X S+ 0 0 73 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.908 108.9 52.0 -68.6 -37.2 -8.7 39.0 70.1 105 115 A A H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 3,-0.3 0.953 108.4 50.5 -60.2 -50.2 -12.4 38.5 71.0 106 116 A M H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 4,-0.4 0.861 104.8 56.9 -55.2 -39.3 -11.3 36.7 74.2 107 117 A Q H >< S+ 0 0 66 -4,-1.7 3,-1.4 1,-0.2 4,-0.3 0.907 99.4 61.3 -62.0 -37.9 -9.0 39.6 75.0 108 118 A L H >< S+ 0 0 16 -4,-1.8 3,-1.6 -3,-0.3 4,-0.3 0.721 84.1 78.6 -61.5 -24.6 -12.0 42.0 74.9 109 119 A V G X< S+ 0 0 0 -3,-0.8 3,-1.4 -4,-0.8 4,-0.4 0.860 88.2 56.1 -56.9 -32.9 -13.7 40.2 77.8 110 120 A S G < S+ 0 0 47 -3,-1.4 3,-0.4 -4,-0.4 -1,-0.3 0.637 94.2 66.8 -77.6 -9.7 -11.5 41.9 80.3 111 121 A Q G < S+ 0 0 115 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.533 90.5 69.9 -80.4 -7.3 -12.5 45.3 79.1 112 122 A L S < S- 0 0 6 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 0.796 113.9 -23.6 -81.2 -28.1 -16.0 44.4 80.5 113 123 A T - 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0 0 24 -4,-1.1 4,-1.7 -5,-0.5 -1,-0.2 0.028 28.7 -87.1 94.2 157.2 -10.6 15.8 55.7 379 101 B V H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.934 121.8 57.4 -68.7 -44.2 -9.7 19.4 56.1 380 102 B P H > S+ 0 0 21 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.939 111.0 39.4 -53.2 -56.5 -13.1 20.4 57.6 381 103 B S H > S+ 0 0 9 -4,-0.5 4,-2.6 1,-0.2 5,-0.2 0.902 114.9 53.6 -60.9 -39.5 -13.0 18.0 60.6 382 104 B T H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.920 110.1 46.5 -63.6 -41.7 -9.2 18.5 61.2 383 105 B I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.958 115.0 47.0 -65.4 -45.5 -9.6 22.4 61.5 384 106 B N H X S+ 0 0 4 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.924 113.3 47.9 -64.9 -38.2 -12.7 22.1 63.7 385 107 B T H X S+ 0 0 3 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.916 111.8 49.0 -67.6 -43.4 -11.0 19.5 66.0 386 108 B A H X S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.930 113.7 46.2 -61.4 -46.6 -7.8 21.5 66.3 387 109 B N H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.887 109.4 55.7 -66.0 -36.1 -9.8 24.7 67.2 388 110 B Y H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.3 3,-0.3 0.935 106.3 50.9 -59.8 -44.1 -11.9 22.8 69.6 389 111 B M H X S+ 0 0 11 -4,-2.2 4,-2.0 1,-0.3 -1,-0.2 0.760 100.6 62.6 -68.4 -27.3 -8.7 21.6 71.4 390 112 B Y H X S+ 0 0 6 -4,-1.3 4,-1.9 -3,-0.2 -1,-0.3 0.938 108.7 43.0 -59.6 -43.4 -7.5 25.2 71.6 391 113 B F H X S+ 0 0 0 -4,-1.5 4,-1.7 -3,-0.3 -2,-0.2 0.781 108.9 56.1 -74.9 -24.9 -10.6 25.8 73.7 392 114 B R H X S+ 0 0 67 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.870 108.1 50.4 -69.8 -35.9 -10.2 22.6 75.7 393 115 B A H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 3,-0.2 0.896 107.4 53.7 -66.2 -41.9 -6.7 24.0 76.6 394 116 B M H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 4,-0.5 0.915 105.0 54.0 -58.5 -41.2 -8.3 27.3 77.6 395 117 B Q H >X S+ 0 0 72 -4,-1.7 3,-1.1 1,-0.3 4,-0.5 0.825 99.6 61.5 -65.7 -32.3 -10.6 25.4 80.0 396 118 B L H >< S+ 0 0 30 -4,-1.3 3,-0.8 1,-0.2 -1,-0.3 0.745 87.9 74.0 -68.1 -20.0 -7.7 23.7 81.7 397 119 B V G X< S+ 0 0 0 -3,-1.0 3,-1.1 -4,-0.8 4,-0.4 0.848 91.3 56.5 -62.5 -29.0 -6.3 27.1 82.8 398 120 B S G <4 S+ 0 0 45 -3,-1.1 3,-0.4 -4,-0.5 -1,-0.2 0.766 97.4 60.6 -74.5 -24.1 -9.1 27.3 85.4 399 121 B Q G << S+ 0 0 140 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.445 90.0 77.1 -81.5 5.3 -8.1 24.1 87.0 400 122 B L S < S- 0 0 6 -3,-1.1 2,-0.3 1,-0.3 -1,-0.2 0.903 107.0 -10.3 -80.2 -40.8 -4.8 25.7 87.8 401 123 B T - 0 0 18 -4,-0.4 -1,-0.3 -3,-0.4 66,-0.0 -0.993 38.9-148.1-157.0 159.5 -5.8 27.9 90.7 402 124 B T S S+ 0 0 129 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.684 70.2 105.8-101.1 -26.3 -8.7 29.3 92.7 403 125 B K > - 0 0 130 1,-0.2 4,-3.0 3,-0.1 5,-0.1 -0.389 60.9-153.8 -59.9 113.5 -7.0 32.6 93.6 404 126 B E H > S+ 0 0 46 -2,-0.4 4,-1.8 2,-0.2 5,-0.2 0.795 92.0 57.2 -62.7 -32.6 -8.7 35.2 91.3 405 127 B P H > S+ 0 0 85 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.999 115.6 38.0 -61.1 -55.1 -5.8 37.6 91.3 406 128 B L H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.858 110.8 60.2 -56.2 -43.5 -3.7 34.7 89.9 407 129 B Y H X S+ 0 0 5 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.878 104.5 49.1 -56.0 -42.0 -6.4 33.3 87.6 408 130 B H H X S+ 0 0 34 -4,-1.8 4,-2.5 -3,-0.5 -1,-0.2 0.909 109.8 52.0 -64.7 -43.4 -6.7 36.5 85.7 409 131 B N H X S+ 0 0 96 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.904 109.0 49.7 -61.6 -41.7 -3.0 36.7 85.2 410 132 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.913 111.0 49.0 -65.5 -41.9 -2.9 33.1 83.8 411 133 B I H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 -2,-0.2 0.925 111.2 50.7 -63.3 -42.9 -5.7 33.7 81.3 412 134 B T H X S+ 0 0 40 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.868 110.7 48.3 -62.8 -39.3 -4.0 36.9 80.2 413 135 B I H X S+ 0 0 14 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.942 114.0 47.2 -63.5 -47.5 -0.7 35.0 79.7 414 136 B F H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 5,-0.3 0.959 115.8 45.8 -57.0 -51.2 -2.6 32.3 77.7 415 137 B N H X S+ 0 0 6 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.940 112.4 48.9 -58.6 -54.8 -4.4 35.0 75.7 416 138 B E H X S+ 0 0 67 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.902 112.8 46.3 -57.6 -45.4 -1.3 37.0 74.9 417 139 B E H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.855 110.0 52.1 -73.2 -27.9 0.8 34.2 73.8 418 140 B L H X S+ 0 0 2 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.874 111.2 50.8 -71.0 -32.0 -1.9 32.6 71.5 419 141 B I H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.966 111.3 46.3 -65.1 -47.5 -2.1 36.1 70.0 420 142 B N H X S+ 0 0 18 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.907 109.8 55.3 -58.5 -43.3 1.6 36.2 69.5 421 143 B L H X S+ 0 0 22 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.947 111.3 43.4 -56.5 -50.3 1.6 32.7 68.0 422 144 B H H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.826 109.8 56.2 -68.1 -31.8 -1.0 33.7 65.4 423 145 B R H X S+ 0 0 43 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.938 112.0 42.7 -64.8 -43.5 0.7 36.9 64.6 424 146 B G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 115.5 47.3 -70.5 -36.9 3.9 35.2 63.7 425 147 B Q H X S+ 0 0 17 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.903 110.2 54.9 -69.6 -39.1 2.2 32.3 61.8 426 148 B G H X S+ 0 0 3 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.872 110.2 45.6 -63.9 -33.2 0.2 34.9 60.0 427 149 B L H X S+ 0 0 5 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.908 111.4 51.3 -75.8 -39.9 3.3 36.7 58.9 428 150 B D H X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 82,-0.3 0.960 115.0 44.0 -59.4 -48.9 5.1 33.5 57.9 429 151 B I H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.902 112.1 53.6 -62.8 -39.9 2.0 32.5 55.8 430 152 B Y H X S+ 0 0 5 -4,-1.9 4,-2.7 -5,-0.3 5,-0.3 0.958 108.5 47.0 -63.2 -50.6 1.7 36.0 54.3 431 153 B W H X S+ 0 0 6 -4,-2.6 4,-0.8 1,-0.2 7,-0.3 0.921 116.1 46.9 -58.0 -42.6 5.3 36.2 53.1 432 154 B R H < S+ 0 0 9 -4,-2.0 3,-0.3 -5,-0.3 -2,-0.2 0.950 117.8 39.4 -63.1 -49.9 5.0 32.8 51.5 433 155 B D H < S+ 0 0 52 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.711 120.1 43.6 -77.2 -23.8 1.7 33.3 49.8 434 156 B F H >< S+ 0 0 60 -4,-2.7 3,-3.0 -5,-0.2 -1,-0.2 0.461 92.4 163.9 -98.9 -2.0 2.3 36.9 48.6 435 157 B L T 3< + 0 0 13 -4,-0.8 4,-0.1 1,-0.4 -3,-0.0 -0.298 58.7 30.7 -52.5 140.6 5.8 36.1 47.4 436 158 B P T 3 S+ 0 0 73 0, 0.0 -1,-0.4 0, 0.0 3,-0.1 -0.789 105.1 78.6 -94.9 35.4 7.4 37.9 45.6 437 159 B E S < S+ 0 0 121 -3,-3.0 2,-0.4 1,-0.2 -2,-0.2 0.901 105.9 22.2 -65.2 -43.6 5.6 40.9 47.0 438 160 B I - 0 0 40 -7,-0.3 -1,-0.2 -8,-0.1 -4,-0.1 -0.989 62.7-165.0-129.8 127.5 7.7 41.2 50.2 439 161 B I - 0 0 25 -2,-0.4 2,-0.0 -3,-0.1 -8,-0.0 -0.943 27.3-134.7-109.9 111.3 11.1 39.7 50.7 440 162 B P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 79,-0.1 -0.357 9.2-135.7 -66.8 147.0 11.8 39.6 54.4 441 163 B T > - 0 0 55 1,-0.1 4,-2.5 77,-0.1 5,-0.2 -0.431 34.3 -99.5 -86.4 172.6 15.1 40.8 55.8 442 164 B Q H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.878 125.3 53.7 -62.8 -36.5 16.9 38.8 58.5 443 165 B E H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 108.6 47.6 -64.1 -46.0 15.5 41.2 61.1 444 166 B M H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.924 111.8 52.0 -60.4 -44.9 11.9 40.8 59.9 445 167 B Y H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.942 109.2 48.6 -57.0 -47.7 12.4 37.0 60.0 446 168 B L H X S+ 0 0 12 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.865 110.0 51.6 -64.8 -36.6 13.7 37.0 63.6 447 169 B N H X S+ 0 0 26 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.899 109.5 50.2 -64.4 -39.8 10.8 39.2 64.7 448 170 B M H X S+ 0 0 2 -4,-2.1 4,-3.6 2,-0.2 3,-0.4 0.947 111.3 49.8 -61.3 -46.4 8.4 36.7 63.0 449 171 B V H X>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 4,-0.7 0.917 104.5 56.7 -59.3 -42.2 10.2 33.8 64.9 450 172 B M H <5S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.851 116.6 37.5 -57.8 -36.6 9.9 35.6 68.3 451 173 B N H X5S+ 0 0 0 -4,-1.4 4,-0.9 -3,-0.4 -2,-0.2 0.925 126.0 37.2 -79.1 -52.7 6.1 35.8 67.8 452 174 B K H >X5S+ 0 0 32 -4,-3.6 4,-0.6 -5,-0.2 3,-0.5 0.995 131.2 19.9 -66.1 -74.8 5.7 32.4 66.1 453 175 B T H 3X5S+ 0 0 13 -4,-0.7 4,-1.2 1,-0.2 3,-0.4 0.863 123.7 56.6 -66.6 -37.5 8.2 29.9 67.8 454 176 B G H 3> S+ 0 0 48 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.401 77.3 100.5 -94.2 5.3 14.1 32.7 82.1 476 200 B V H > S+ 0 0 27 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.916 78.2 51.1 -58.1 -48.2 12.1 34.4 79.2 477 201 B P H > S+ 0 0 32 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.931 113.4 47.2 -55.8 -44.5 15.2 35.8 77.4 478 202 B F H > S+ 0 0 81 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.959 113.2 46.6 -62.3 -48.3 16.8 32.4 77.5 479 203 B I H X S+ 0 0 3 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.860 110.8 54.6 -63.6 -34.0 13.6 30.6 76.3 480 204 B N H X S+ 0 0 3 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.939 110.3 45.5 -63.5 -43.3 13.3 33.3 73.6 481 205 B L H X S+ 0 0 5 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.893 111.0 53.0 -69.0 -33.9 16.9 32.5 72.5 482 206 B L H X S+ 0 0 48 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.918 107.7 53.0 -63.3 -43.8 16.1 28.7 72.6 483 207 B G H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.918 109.8 46.5 -57.2 -48.8 13.1 29.4 70.4 484 208 B I H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.926 113.0 48.9 -61.7 -44.7 15.1 31.2 67.7 485 209 B I H X S+ 0 0 22 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.957 111.8 51.6 -60.1 -43.7 17.8 28.5 67.8 486 210 B Y H X S+ 0 0 131 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.909 111.2 45.3 -58.1 -51.1 15.1 25.9 67.4 487 211 B Q H X S+ 0 0 8 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.932 113.8 47.1 -60.5 -47.6 13.4 27.5 64.4 488 212 B I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.874 112.2 51.5 -66.9 -34.4 16.6 28.3 62.5 489 213 B R H X S+ 0 0 126 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.907 107.2 52.5 -67.5 -39.9 17.8 24.7 63.2 490 214 B D H X S+ 0 0 73 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.918 114.9 43.7 -60.3 -39.2 14.4 23.3 61.9 491 215 B D H X S+ 0 0 1 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.871 114.4 48.8 -73.8 -42.5 14.9 25.4 58.7 492 216 B Y H >X S+ 0 0 21 -4,-2.7 4,-2.3 1,-0.2 3,-1.1 0.966 114.1 45.0 -61.0 -55.6 18.6 24.5 58.3 493 217 B L H 3X S+ 0 0 46 -4,-2.9 4,-2.8 1,-0.3 5,-0.3 0.836 98.7 69.3 -61.0 -36.6 18.0 20.7 58.8 494 218 B N H 3< S+ 0 0 38 -4,-1.8 8,-0.5 -5,-0.3 -1,-0.3 0.843 114.7 30.0 -50.8 -33.8 15.0 20.6 56.4 495 219 B L H XX S+ 0 0 2 -3,-1.1 4,-2.7 -4,-0.7 3,-1.0 0.861 118.3 52.1 -93.9 -45.0 17.6 21.2 53.6 496 220 B K H 3< S+ 0 0 65 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.873 103.5 58.7 -64.1 -36.6 20.8 19.7 54.9 497 221 B D T 3< S+ 0 0 129 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.1 0.753 112.6 42.4 -63.5 -20.4 19.1 16.4 55.6 498 222 B F T <4 0 0 21 -3,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.853 360.0 360.0 -87.7 -45.1 18.2 16.4 51.9 499 223 B Q < 0 0 90 -4,-2.7 -2,-0.2 52,-0.0 -3,-0.2 0.993 360.0 360.0 -58.3 360.0 21.7 17.6 50.9 500 ! 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 0.0 501 230 B F 0 0 159 0, 0.0 4,-0.1 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 -28.9 12.6 15.5 51.2 502 231 B A >> + 0 0 3 -8,-0.5 3,-1.8 -9,-0.1 4,-0.9 0.942 360.0 175.6 51.4 50.7 13.2 19.3 51.8 503 232 B E H 3> + 0 0 58 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.792 68.0 74.9 -57.8 -23.0 9.4 19.9 51.9 504 233 B D H 3>>S+ 0 0 15 1,-0.2 4,-1.7 2,-0.2 5,-1.4 0.845 94.4 51.2 -57.9 -32.1 10.2 23.6 52.8 505 234 B I H <45S+ 0 0 4 -3,-1.8 35,-0.3 2,-0.2 36,-0.2 0.930 109.6 48.0 -67.9 -46.3 11.2 24.1 49.2 506 235 B T H <5S+ 0 0 22 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.842 112.0 51.4 -60.5 -39.3 7.9 22.6 47.9 507 236 B E H <5S- 0 0 24 -4,-2.6 -1,-0.2 33,-0.1 -2,-0.2 0.836 104.2-133.6 -69.5 -34.6 6.1 24.8 50.5 508 237 B G T <5 + 0 0 0 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.641 41.4 173.7 87.1 17.0 7.9 28.0 49.2 509 238 B K < - 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