==== 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 28-AUG-12 4GTM . COMPND 2 MOLECULE: PROTEIN FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFE . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Z.GUO,E.A.STIGTER,R.S.BON,H.WALDMANN,W.BLANKENFELDT,R.S.GOOD . 723 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 515 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 1 0.1 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 . 27 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 339 46.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.2 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 1 1 0 7 1 6 6 2 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 9 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 54 A G 0 0 107 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 11.3 30.3 -57.9 -21.6 2 55 A F - 0 0 91 63,-0.0 2,-0.7 0, 0.0 63,-0.0 -0.828 360.0-148.3-114.5 141.3 31.4 -58.1 -18.0 3 56 A L - 0 0 59 -2,-0.4 8,-0.1 8,-0.1 4,-0.0 -0.892 30.0-132.3-106.5 108.5 30.2 -59.9 -14.9 4 57 A S > - 0 0 55 -2,-0.7 3,-1.4 1,-0.1 6,-0.1 -0.169 9.1-127.6 -61.4 144.1 31.0 -57.8 -11.8 5 58 A L T 3 S+ 0 0 3 1,-0.3 -1,-0.1 5,-0.1 5,-0.0 0.695 111.2 44.6 -64.3 -26.1 32.7 -59.4 -8.8 6 59 A D T 3 S+ 0 0 127 3,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.264 84.0 126.5-101.5 10.2 30.0 -58.1 -6.4 7 60 A S X - 0 0 32 -3,-1.4 3,-1.8 1,-0.1 -4,-0.0 -0.418 66.3-131.2 -60.6 137.4 27.0 -59.0 -8.8 8 61 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.832 111.3 47.0 -59.9 -26.4 24.4 -61.0 -7.0 9 62 A T T 3 S+ 0 0 101 2,-0.1 -2,-0.1 -5,-0.0 -3,-0.0 0.191 79.1 139.6-103.2 16.1 24.6 -63.4 -10.0 10 63 A Y < - 0 0 33 -3,-1.8 2,-0.4 -6,-0.1 -5,-0.1 -0.336 37.3-157.5 -51.3 138.6 28.4 -63.6 -10.1 11 64 A V - 0 0 60 -8,-0.1 5,-0.1 2,-0.0 -2,-0.1 -0.969 19.8-106.8-126.0 139.0 29.4 -67.2 -10.9 12 65 A L > - 0 0 28 -2,-0.4 3,-2.2 1,-0.1 4,-0.1 -0.353 28.6-120.5 -62.7 144.5 32.7 -68.9 -10.2 13 66 A Y G > S+ 0 0 4 1,-0.3 3,-1.5 2,-0.2 6,-0.2 0.796 113.6 62.5 -55.0 -35.6 34.9 -69.6 -13.3 14 67 A R G 3 S+ 0 0 127 1,-0.2 -1,-0.3 9,-0.0 -2,-0.1 0.687 105.0 47.7 -63.9 -19.3 34.8 -73.3 -12.5 15 68 A D G < S+ 0 0 107 -3,-2.2 2,-0.4 4,-0.0 -1,-0.2 0.216 90.8 102.6-104.2 11.5 31.0 -73.1 -13.1 16 69 A R X - 0 0 33 -3,-1.5 3,-1.2 1,-0.1 -3,-0.0 -0.837 61.3-150.9-101.9 133.9 31.2 -71.1 -16.4 17 70 A A G > S+ 0 0 83 -2,-0.4 3,-2.1 1,-0.3 4,-0.3 0.880 93.5 66.2 -70.5 -39.6 30.7 -73.0 -19.7 18 71 A E G 3 S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.1 44,-0.1 0.504 105.9 45.9 -53.3 -11.6 33.0 -70.5 -21.7 19 72 A W G X S+ 0 0 8 -3,-1.2 3,-1.5 -6,-0.2 -1,-0.3 0.228 77.7 106.2-118.5 11.3 35.9 -71.9 -19.6 20 73 A A T < S+ 0 0 80 -3,-2.1 -2,-0.1 1,-0.3 -3,-0.1 0.810 72.8 62.2 -67.5 -30.5 35.3 -75.7 -19.8 21 74 A D T 3 S+ 0 0 102 -4,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.643 96.0 73.0 -66.8 -15.9 38.1 -76.3 -22.2 22 75 A I S < S- 0 0 6 -3,-1.5 31,-0.0 0, 0.0 30,-0.0 -0.852 71.2-142.9-113.4 136.3 40.7 -75.1 -19.7 23 76 A D - 0 0 138 -2,-0.4 -3,-0.1 29,-0.1 -2,-0.0 -0.858 26.7-121.8 -94.3 123.1 41.9 -76.9 -16.5 24 77 A P - 0 0 51 0, 0.0 25,-0.2 0, 0.0 24,-0.1 -0.193 17.7-133.1 -60.3 155.6 42.6 -74.6 -13.5 25 78 A V - 0 0 36 23,-2.4 26,-0.2 22,-0.1 27,-0.1 -0.925 18.2-145.2-116.9 104.2 46.1 -74.6 -12.1 26 79 A P - 0 0 95 0, 0.0 2,-0.2 0, 0.0 19,-0.0 -0.306 31.0 -94.1 -68.8 153.9 46.1 -74.8 -8.3 27 80 A Q - 0 0 39 1,-0.1 2,-0.8 17,-0.1 3,-0.1 -0.481 31.0-137.9 -71.6 135.6 48.8 -73.0 -6.4 28 81 A N + 0 0 103 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 -0.847 38.9 154.2 -97.5 105.9 51.9 -75.1 -5.5 29 82 A D - 0 0 16 -2,-0.8 5,-0.2 1,-0.3 3,-0.2 0.360 54.3-115.3-107.3 -0.6 52.9 -74.2 -1.9 30 83 A G - 0 0 28 1,-0.2 -1,-0.3 -3,-0.1 396,-0.0 -0.184 40.4 -61.3 88.1 173.9 54.6 -77.5 -1.3 31 84 A P S S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.722 131.0 26.8 -69.9 -26.1 53.8 -80.4 1.2 32 85 A S S S- 0 0 48 -3,-0.2 398,-0.1 394,-0.1 -2,-0.0 -0.676 87.2-160.4-138.3 84.7 54.2 -78.2 4.3 33 86 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 3,-0.2 -0.156 7.3-153.1 -64.3 151.9 53.5 -74.5 3.6 34 87 A V S S+ 0 0 0 -5,-0.2 354,-0.3 392,-0.2 3,-0.2 -0.863 79.0 13.2-116.4 161.9 54.5 -71.4 5.5 35 88 A V S S+ 0 0 0 352,-2.7 2,-0.6 -2,-0.3 354,-0.2 0.853 84.3 179.0 36.8 49.6 52.6 -68.1 5.5 36 89 A Q E -a 389 0A 64 352,-2.0 354,-2.9 -3,-0.2 2,-0.4 -0.687 19.5-144.9 -84.4 117.3 49.8 -69.9 3.8 37 90 A I E -a 390 0A 2 -2,-0.6 2,-1.7 352,-0.2 354,-0.2 -0.703 8.8-136.0 -85.4 129.1 46.9 -67.5 3.3 38 91 A I - 0 0 73 352,-2.9 354,-0.3 -2,-0.4 357,-0.1 -0.650 34.5-158.0 -85.5 85.4 43.4 -69.1 3.7 39 92 A Y - 0 0 17 -2,-1.7 353,-0.1 1,-0.1 354,-0.1 -0.275 16.7-107.2 -66.9 149.4 41.9 -67.5 0.6 40 93 A S > - 0 0 39 352,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.280 34.3-109.9 -60.0 155.1 38.2 -67.0 0.0 41 94 A E H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.887 119.4 53.4 -54.4 -45.2 36.6 -69.3 -2.6 42 95 A K H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 110.3 45.7 -60.0 -42.6 36.2 -66.4 -4.9 43 96 A F H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.955 113.6 47.9 -68.7 -51.7 39.9 -65.4 -4.7 44 97 A R H X S+ 0 0 93 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.858 111.7 51.7 -56.3 -41.8 41.3 -68.9 -5.1 45 98 A D H X S+ 0 0 5 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.932 111.0 45.7 -62.9 -53.1 39.0 -69.6 -8.1 46 99 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.952 116.2 46.9 -54.5 -46.5 40.0 -66.4 -10.0 47 100 A Y H X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.783 105.5 57.7 -73.2 -26.3 43.7 -67.1 -9.3 48 101 A D H X S+ 0 0 29 -4,-2.0 -23,-2.4 2,-0.2 4,-1.1 0.881 112.6 42.5 -66.0 -40.0 43.6 -70.8 -10.3 49 102 A Y H X S+ 0 0 15 -4,-1.6 4,-2.5 -25,-0.2 5,-0.2 0.854 110.3 56.2 -75.3 -35.8 42.3 -69.7 -13.8 50 103 A F H X S+ 0 0 7 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.938 106.4 51.1 -58.9 -47.1 44.8 -66.8 -14.0 51 104 A R H X S+ 0 0 32 -4,-2.1 4,-2.5 -26,-0.2 -1,-0.2 0.864 109.1 52.2 -55.5 -37.6 47.7 -69.3 -13.5 52 105 A A H X S+ 0 0 2 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.944 112.6 42.0 -67.6 -48.0 46.2 -71.4 -16.3 53 106 A V H X>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 4,-0.6 0.877 115.1 52.4 -68.9 -33.6 46.1 -68.6 -18.8 54 107 A L H ><5S+ 0 0 29 -4,-2.8 3,-0.9 -5,-0.2 -2,-0.2 0.966 110.7 46.7 -63.3 -51.1 49.5 -67.3 -17.7 55 108 A Q H 3<5S+ 0 0 138 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.853 117.6 41.3 -63.2 -37.6 51.2 -70.7 -18.1 56 109 A R H 3<5S- 0 0 142 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.570 104.8-132.8 -79.8 -9.5 49.6 -71.3 -21.5 57 110 A D T <<5 - 0 0 73 -3,-0.9 2,-0.8 -4,-0.6 -3,-0.2 0.956 34.2-173.3 49.1 55.9 50.3 -67.6 -22.4 58 111 A E < - 0 0 23 -5,-2.3 2,-1.1 -6,-0.1 -1,-0.2 -0.709 13.0-164.9 -85.3 114.2 46.8 -67.4 -23.7 59 112 A R + 0 0 121 -2,-0.8 2,-0.3 -3,-0.2 -1,-0.1 -0.693 39.4 126.5-104.8 81.2 46.3 -64.0 -25.3 60 113 A S S > S- 0 0 27 -2,-1.1 4,-2.0 1,-0.1 5,-0.1 -0.843 72.8-107.1-135.8 164.2 42.6 -63.8 -25.6 61 114 A E H > S+ 0 0 71 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.868 119.9 53.9 -61.8 -40.7 39.7 -61.5 -24.7 62 115 A R H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.887 107.8 50.4 -64.3 -36.3 38.6 -63.9 -22.0 63 116 A A H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.904 108.8 53.6 -64.4 -41.0 42.1 -63.8 -20.4 64 117 A F H X S+ 0 0 12 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.898 109.1 46.7 -60.3 -46.3 41.9 -59.9 -20.6 65 118 A K H X S+ 0 0 54 -4,-2.2 4,-1.0 1,-0.2 3,-0.2 0.860 108.1 56.9 -64.9 -36.3 38.6 -59.9 -18.7 66 119 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 3,-0.4 0.875 99.2 59.4 -62.7 -35.6 40.0 -62.3 -16.1 67 120 A T H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.863 99.6 60.3 -61.4 -33.2 43.0 -59.9 -15.3 68 121 A R H X S+ 0 0 52 -4,-1.0 4,-2.0 -3,-0.2 -1,-0.2 0.892 108.6 40.6 -56.0 -45.9 40.3 -57.4 -14.3 69 122 A D H X S+ 0 0 5 -4,-1.0 4,-1.7 -3,-0.4 -2,-0.2 0.852 113.6 52.7 -76.3 -39.4 39.0 -59.7 -11.7 70 123 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.908 111.9 47.7 -61.0 -40.3 42.4 -60.8 -10.5 71 124 A I H < S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.931 108.4 53.6 -68.1 -45.9 43.5 -57.1 -10.1 72 125 A E H < S+ 0 0 67 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.869 110.7 47.3 -58.0 -35.8 40.3 -56.2 -8.3 73 126 A L H < S+ 0 0 35 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.777 137.1 5.8 -78.2 -30.3 41.0 -59.0 -5.7 74 127 A N >< - 0 0 6 -4,-1.6 3,-1.7 -3,-0.3 -1,-0.3 -0.602 63.5-179.5-152.9 91.1 44.7 -58.0 -5.3 75 128 A A T 3 S+ 0 0 3 -3,-0.3 39,-0.1 1,-0.3 -3,-0.1 0.547 80.2 67.5 -70.4 -8.6 45.7 -54.8 -7.1 76 129 A A T 3 + 0 0 38 320,-0.1 2,-1.4 -5,-0.1 -1,-0.3 0.454 67.4 113.0 -86.5 -3.2 49.3 -55.2 -5.8 77 130 A N <> - 0 0 5 -3,-1.7 4,-1.6 1,-0.2 3,-0.5 -0.553 44.0-177.7 -75.7 97.5 49.8 -58.3 -7.9 78 131 A Y H > S+ 0 0 10 -2,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.740 77.6 64.0 -70.3 -25.0 52.5 -56.9 -10.4 79 132 A T H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 103.7 47.6 -62.7 -40.6 52.5 -60.2 -12.3 80 133 A V H > S+ 0 0 0 -3,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.921 110.1 52.0 -67.7 -43.2 48.9 -59.7 -13.3 81 134 A W H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.884 107.9 52.2 -59.2 -39.5 49.5 -56.1 -14.4 82 135 A H H X S+ 0 0 58 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.947 111.1 46.6 -62.2 -46.2 52.4 -57.2 -16.6 83 136 A F H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.891 108.3 56.2 -63.5 -38.0 50.2 -59.8 -18.3 84 137 A R H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.893 108.0 48.3 -62.5 -39.3 47.4 -57.3 -18.7 85 138 A R H X S+ 0 0 23 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.915 108.2 52.9 -66.2 -45.1 49.8 -55.0 -20.6 86 139 A V H X S+ 0 0 37 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.929 112.4 47.9 -50.7 -43.3 51.0 -57.8 -22.8 87 140 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 6,-0.3 0.894 104.9 57.0 -68.6 -43.5 47.3 -58.4 -23.6 88 141 A L H <>S+ 0 0 3 -4,-2.5 5,-2.2 1,-0.2 4,-0.3 0.923 114.5 40.5 -51.9 -46.5 46.5 -54.7 -24.3 89 142 A R H ><5S+ 0 0 143 -4,-2.0 3,-0.7 3,-0.2 -2,-0.2 0.936 117.2 45.3 -68.1 -51.7 49.3 -54.8 -27.0 90 143 A S H 3<5S+ 0 0 51 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.880 118.5 42.7 -61.6 -40.2 48.5 -58.3 -28.5 91 144 A L T 3<5S- 0 0 52 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.474 105.7-127.7 -84.9 -3.8 44.8 -57.7 -28.7 92 145 A Q T < 5 - 0 0 161 -3,-0.7 -3,-0.2 -4,-0.3 -4,-0.1 0.928 38.6-168.5 56.5 46.9 45.2 -54.2 -29.9 93 146 A K < - 0 0 42 -5,-2.2 2,-0.6 -6,-0.3 -1,-0.1 -0.346 30.3 -99.8 -70.5 148.2 42.9 -52.9 -27.2 94 147 A D >> - 0 0 95 1,-0.2 4,-1.5 2,-0.1 3,-0.5 -0.556 30.8-155.1 -70.6 114.4 41.6 -49.4 -27.3 95 148 A L H 3> S+ 0 0 32 -2,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.654 88.6 59.0 -73.5 -15.7 43.9 -47.4 -25.0 96 149 A Q H 3> S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.852 105.6 50.4 -76.0 -35.8 41.4 -44.6 -24.2 97 150 A E H <> S+ 0 0 111 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.895 110.8 49.2 -61.3 -44.6 39.0 -47.2 -22.9 98 151 A E H X S+ 0 0 6 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.850 107.3 55.6 -65.8 -33.7 41.8 -48.6 -20.7 99 152 A M H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.891 105.8 51.3 -60.7 -41.4 42.5 -45.0 -19.6 100 153 A N H X S+ 0 0 103 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.873 110.2 50.7 -62.5 -40.7 38.9 -44.9 -18.5 101 154 A Y H X S+ 0 0 28 -4,-1.8 4,-2.1 2,-0.2 3,-0.3 0.967 109.4 47.5 -57.9 -55.0 39.4 -48.1 -16.6 102 155 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.3 5,-0.2 0.857 107.0 58.8 -65.4 -31.7 42.6 -47.0 -14.7 103 156 A I H X S+ 0 0 38 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.3 0.944 108.0 45.5 -56.7 -49.9 40.9 -43.7 -13.7 104 157 A A H X S+ 0 0 44 -4,-1.5 4,-1.4 -3,-0.3 -2,-0.2 0.912 114.0 48.1 -62.3 -42.6 38.1 -45.6 -11.9 105 158 A I H X S+ 0 0 17 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.922 110.2 50.9 -68.9 -41.9 40.5 -48.0 -10.2 106 159 A I H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.940 106.4 56.2 -58.4 -43.8 42.8 -45.2 -9.0 107 160 A E H < S+ 0 0 56 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.867 114.4 39.6 -53.2 -40.8 39.8 -43.4 -7.5 108 161 A E H < S+ 0 0 130 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.814 131.3 24.2 -77.8 -37.9 39.0 -46.5 -5.5 109 162 A Q >< + 0 0 78 -4,-2.5 3,-0.9 -5,-0.1 -1,-0.2 -0.566 68.4 160.8-130.4 67.8 42.5 -47.5 -4.5 110 163 A P T 3 + 0 0 36 0, 0.0 38,-0.2 0, 0.0 -1,-0.1 0.689 68.5 60.9 -70.4 -17.4 44.6 -44.3 -4.6 111 164 A K T 3 S+ 0 0 143 37,-0.1 2,-0.4 36,-0.1 -5,-0.0 -0.077 79.5 105.8 -99.7 34.0 47.5 -45.5 -2.4 112 165 A N <> - 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0 0 21 -3,-2.3 -1,-0.3 1,-0.1 -5,-0.2 -0.572 67.1 -99.8 -84.7 151.8 55.2 -65.0 -9.7 448 147 B Y - 0 0 88 -2,-0.2 -5,-0.6 1,-0.1 -4,-0.1 -0.309 47.9 -93.5 -64.8 155.0 57.7 -62.9 -11.6 449 148 B P B +C 442 0C 22 0, 0.0 47,-0.3 0, 0.0 -7,-0.3 -0.330 44.3 177.9 -70.2 152.9 60.8 -61.6 -9.7 450 149 B H > - 0 0 11 -9,-2.2 4,-1.5 45,-0.1 -9,-0.5 -0.972 36.9-121.2-153.6 144.0 60.8 -58.2 -8.1 451 150 B L H > S+ 0 0 1 43,-3.0 4,-2.1 -2,-0.3 5,-0.1 0.760 107.3 59.1 -60.1 -32.0 63.5 -56.4 -5.9 452 151 B A H > S+ 0 0 19 42,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.979 110.6 37.7 -65.2 -60.5 61.3 -56.1 -2.9 453 152 B P H > S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.767 113.2 61.1 -59.2 -26.5 60.5 -59.8 -2.3 454 153 B T H X S+ 0 0 0 -4,-1.5 4,-2.4 -13,-0.3 5,-0.2 0.943 106.4 45.3 -61.6 -48.6 64.2 -60.5 -3.4 455 154 B Y H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.907 114.8 47.1 -55.1 -49.8 65.4 -58.4 -0.4 456 155 B A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.913 112.3 49.9 -62.7 -46.7 62.9 -60.0 2.0 457 156 B A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.964 112.7 45.8 -59.5 -54.0 63.8 -63.5 0.8 458 157 B V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.889 115.0 48.6 -57.0 -40.6 67.6 -62.9 1.2 459 158 B N H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.892 111.6 48.3 -68.3 -39.5 67.1 -61.4 4.6 460 159 B A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.906 111.2 50.8 -63.6 -47.1 64.9 -64.2 5.8 461 160 B L H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.873 110.3 49.7 -60.0 -39.6 67.4 -66.8 4.6 462 161 B C H < S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.910 106.0 56.0 -67.3 -41.8 70.2 -65.0 6.4 463 162 B I H < S+ 0 0 5 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.911 109.7 46.1 -54.6 -43.0 68.1 -64.9 9.7 464 163 B I H < S- 0 0 17 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.965 90.9-175.7 -63.9 -52.8 67.8 -68.7 9.4 465 164 B G < + 0 0 6 -4,-2.6 2,-0.1 1,-0.2 -3,-0.1 0.531 26.4 132.4 77.6 10.6 71.6 -68.7 8.7 466 165 B T S > S- 0 0 59 -5,-0.3 4,-2.2 1,-0.1 -1,-0.2 -0.400 71.1-107.0 -87.0 168.7 72.1 -72.4 8.0 467 166 B E H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.893 120.6 55.9 -62.9 -43.5 74.1 -73.8 5.1 468 167 B E H > S+ 0 0 75 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.907 108.2 48.3 -49.8 -48.7 70.8 -75.0 3.5 469 168 B A H >> S+ 0 0 0 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.928 111.4 48.3 -63.5 -48.7 69.5 -71.4 3.6 470 169 B Y H >< S+ 0 0 7 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.881 108.0 57.2 -58.7 -37.5 72.6 -69.9 2.1 471 170 B N H 3< S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.632 90.0 72.6 -73.3 -16.6 72.5 -72.5 -0.6 472 171 B V H << S+ 0 0 9 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 0.924 80.5 88.2 -59.6 -43.8 69.0 -71.6 -1.8 473 172 B I << - 0 0 12 -4,-0.7 2,-0.9 -3,-0.6 -41,-0.0 -0.385 69.3-149.6 -68.6 119.9 70.3 -68.3 -3.3 474 173 B N > - 0 0 55 -2,-0.3 4,-2.1 1,-0.2 -34,-0.3 -0.792 15.5-173.3 -82.8 103.8 71.5 -68.6 -7.0 475 174 B R H > S+ 0 0 17 -2,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.816 77.1 52.7 -75.1 -31.3 74.2 -65.9 -6.9 476 175 B E H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.942 113.9 42.2 -69.6 -49.1 75.0 -65.9 -10.7 477 176 B K H > S+ 0 0 69 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.890 110.3 58.3 -64.2 -42.0 71.4 -65.4 -11.7 478 177 B L H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.921 107.1 47.5 -53.5 -47.9 70.9 -62.8 -8.9 479 178 B L H X S+ 0 0 12 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.885 111.3 50.5 -62.8 -40.9 73.7 -60.7 -10.4 480 179 B Q H X S+ 0 0 122 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.938 109.9 51.3 -59.9 -49.1 72.3 -61.0 -13.9 481 180 B Y H X S+ 0 0 9 -4,-3.1 4,-0.8 2,-0.2 -2,-0.2 0.925 108.3 51.0 -53.4 -48.7 68.9 -60.0 -12.6 482 181 B L H >X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-1.0 0.916 109.8 50.2 -61.6 -41.2 70.4 -56.9 -10.9 483 182 B Y H 3< S+ 0 0 90 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.877 104.0 59.4 -60.4 -37.1 72.2 -55.9 -14.2 484 183 B S H 3< S+ 0 0 64 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.695 110.7 42.8 -67.6 -16.6 68.8 -56.3 -16.0 485 184 B L H << S+ 0 0 0 -3,-1.0 8,-2.3 -4,-0.8 -1,-0.2 0.660 88.0 107.8-100.6 -22.6 67.3 -53.6 -13.7 486 185 B K B < -D 492 0D 41 -4,-1.3 6,-0.2 -3,-0.3 5,-0.1 -0.415 54.2-155.8 -65.1 126.4 70.2 -51.1 -13.7 487 186 B Q > - 0 0 59 4,-3.2 3,-1.6 -2,-0.2 -2,-0.1 -0.676 26.5-110.8-100.9 156.8 69.6 -47.8 -15.6 488 187 B P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.811 112.7 60.5 -52.7 -37.6 72.1 -45.4 -17.2 489 188 B D T 3 S- 0 0 81 1,-0.1 3,-0.1 39,-0.0 36,-0.1 0.389 125.2 -95.9 -76.4 8.5 71.4 -42.5 -14.7 490 189 B G S < S+ 0 0 0 -3,-1.6 40,-0.1 1,-0.3 -1,-0.1 0.098 88.8 118.1 98.6 -20.4 72.5 -44.7 -11.7 491 190 B S - 0 0 2 -5,-0.1 -4,-3.2 34,-0.1 2,-0.4 -0.118 53.1-137.9 -77.8 171.2 69.0 -45.9 -10.8 492 191 B F B -D 486 0D 0 9,-0.3 9,-0.8 -6,-0.2 -6,-0.2 -0.998 14.9-127.2-127.6 137.7 67.4 -49.5 -10.7 493 192 B L B -E 500 0E 28 -8,-2.3 7,-0.2 -2,-0.4 3,-0.1 -0.497 19.4-129.5 -71.8 152.6 64.0 -50.5 -11.8 494 193 B M S S- 0 0 6 5,-1.3 -43,-3.0 1,-0.3 2,-0.3 0.841 86.8 -15.6 -70.2 -35.8 62.0 -52.5 -9.1 495 194 B H S > S- 0 0 7 -45,-0.2 3,-2.4 4,-0.1 -1,-0.3 -0.948 95.3 -65.6-157.4 166.2 61.3 -55.2 -11.7 496 195 B V T 3 S+ 0 0 85 -47,-0.3 3,-0.1 -2,-0.3 -11,-0.1 -0.432 127.7 13.4 -60.5 129.5 61.4 -55.6 -15.5 497 196 B G T 3 S+ 0 0 44 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.585 112.0 104.7 74.0 10.5 58.9 -53.2 -17.0 498 197 B G < - 0 0 9 -3,-2.4 2,-0.3 1,-0.0 -1,-0.2 -0.263 68.8-108.2-101.1-167.8 58.5 -51.4 -13.6 499 198 B E - 0 0 30 -2,-0.1 -5,-1.3 -3,-0.1 -4,-0.1 -0.827 31.3 -87.2-128.8 171.4 60.0 -48.0 -12.5 500 199 B V B +E 493 0E 25 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.360 39.0 166.2 -86.0 159.3 62.7 -46.7 -10.3 501 200 B D >> - 0 0 1 -9,-0.8 4,-0.9 -2,-0.1 3,-0.6 -0.970 48.8-114.4-162.2 147.5 62.7 -45.8 -6.7 502 201 B V H 3> S+ 0 0 0 40,-1.5 4,-1.6 -2,-0.3 3,-0.4 0.838 117.3 63.1 -57.8 -33.9 65.2 -45.1 -3.9 503 202 B R H 3> S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.861 95.6 57.6 -58.2 -38.2 64.0 -48.3 -2.4 504 203 B S H <> S+ 0 0 3 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.841 103.3 52.4 -65.2 -35.1 65.2 -50.3 -5.4 505 204 B A H X S+ 0 0 1 -4,-0.9 4,-2.8 -3,-0.4 -1,-0.2 0.934 111.8 46.6 -64.6 -48.9 68.8 -49.1 -4.9 506 205 B Y H X S+ 0 0 5 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.914 111.8 50.1 -56.5 -51.1 68.7 -50.2 -1.2 507 206 B C H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.921 114.3 45.8 -55.6 -45.9 67.2 -53.6 -2.1 508 207 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.937 116.1 44.3 -63.4 -46.3 70.0 -54.1 -4.7 509 208 B A H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.902 113.8 51.2 -69.2 -38.0 72.8 -52.9 -2.4 510 209 B S H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.968 116.8 37.9 -59.7 -57.8 71.5 -55.0 0.5 511 210 B V H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.861 118.3 49.6 -64.0 -39.6 71.3 -58.2 -1.4 512 211 B A H <>S+ 0 0 0 -4,-2.4 5,-1.7 -5,-0.2 6,-0.4 0.964 113.7 44.7 -68.4 -48.3 74.5 -57.6 -3.4 513 212 B S H ><5S+ 0 0 25 -4,-2.6 3,-1.1 -5,-0.2 -2,-0.2 0.924 113.6 49.5 -62.5 -47.5 76.7 -56.8 -0.4 514 213 B L H 3<5S+ 0 0 0 -4,-2.2 202,-0.3 -5,-0.3 -1,-0.2 0.901 117.5 40.0 -58.3 -43.4 75.4 -59.6 1.8 515 214 B T T 3<5S- 0 0 0 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.291 108.8-120.4 -94.6 11.5 75.9 -62.3 -1.0 516 215 B N T < 5S+ 0 0 32 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.942 72.4 125.0 53.6 59.4 79.2 -60.9 -2.3 517 216 B I < + 0 0 0 -5,-1.7 2,-0.6 204,-0.2 -4,-0.1 0.215 25.6 134.2-129.1 17.0 78.3 -60.2 -5.9 518 217 B I - 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0 0 79 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 -0.539 38.9 -93.6 -83.3 153.0 84.4 -65.0 -5.7 721 420 B V S S- 0 0 26 -2,-0.2 -204,-0.2 -203,-0.1 2,-0.1 -0.488 75.9 -66.1 -57.8 124.7 82.2 -62.3 -7.2 722 421 B P S S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.370 120.5 8.3 -66.9 133.7 80.7 -64.0 -10.3 723 422 B G 0 0 78 -2,-0.1 -2,-0.1 -3,-0.0 0, 0.0 0.536 360.0 360.0-103.6 129.5 82.7 -64.7 -12.4 724 423 B F 0 0 172 -4,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.979 360.0 360.0-135.3 360.0 86.2 -64.1 -11.1