==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JAN-10 3LMD . COMPND 2 MOLECULE: GERANYLGERANYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR Y.PATSKOVSKY,M.HO,R.TORO,M.RUTTER,J.M.SAUDER,S.K.BURLEY, . 317 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 81.7 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 . 0 0.0 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 . 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 . 8 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 1 1 1 2 0 1 1 1 1 0 0 0 0 1 0 1 1 1 0 1 0 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 18 A G > 0 0 67 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-134.5 -1.9 36.7 12.4 2 19 A V H > + 0 0 68 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.828 360.0 59.9 -58.3 -34.4 -4.6 39.1 13.5 3 20 A S H > S+ 0 0 0 204,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.956 109.1 39.1 -59.0 -57.3 -2.1 41.2 15.5 4 21 A T H > S+ 0 0 25 -3,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.824 120.6 48.5 -64.4 -32.5 0.1 42.2 12.5 5 22 A T H >X S+ 0 0 85 -4,-1.9 4,-0.5 2,-0.2 3,-0.5 0.940 112.2 45.5 -71.0 -53.0 -3.0 42.5 10.3 6 23 A G H >< S+ 0 0 11 -4,-3.5 3,-0.8 1,-0.2 -2,-0.2 0.804 104.1 66.2 -60.1 -31.3 -5.0 44.7 12.7 7 24 A A H >< S+ 0 0 1 -4,-1.8 3,-1.2 -5,-0.3 -1,-0.2 0.867 95.6 54.8 -59.8 -41.5 -2.0 46.9 13.3 8 25 A S H << S+ 0 0 5 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.742 108.6 51.4 -61.5 -24.1 -1.9 48.2 9.7 9 26 A Q T << S+ 0 0 115 -3,-0.8 2,-0.8 -4,-0.5 -1,-0.2 0.047 70.8 118.2-112.4 23.8 -5.5 49.3 10.1 10 27 A V S < S- 0 0 26 -3,-1.2 297,-0.1 293,-0.1 2,-0.0 -0.842 72.2-120.4 -85.4 111.7 -5.4 51.3 13.3 11 28 A E - 0 0 184 -2,-0.8 2,-0.3 1,-0.1 -2,-0.1 -0.296 16.4-127.9 -61.7 128.8 -6.4 54.8 12.0 12 29 A F - 0 0 33 1,-0.1 -1,-0.1 2,-0.1 6,-0.1 -0.586 8.2-141.7 -70.3 135.8 -3.9 57.6 12.5 13 30 A G S S+ 0 0 86 -2,-0.3 -1,-0.1 286,-0.2 -2,-0.1 0.355 86.1 83.5 -78.2 7.3 -5.6 60.6 14.2 14 31 A D > - 0 0 27 1,-0.1 4,-2.6 285,-0.1 -2,-0.1 -0.930 63.7-165.2-117.8 105.7 -3.5 62.7 11.9 15 32 A P H > S+ 0 0 93 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.801 90.7 46.3 -59.8 -36.9 -5.1 63.2 8.4 16 33 A E H > S+ 0 0 121 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.938 110.1 52.3 -73.2 -46.6 -1.8 64.5 6.8 17 34 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.958 110.5 51.7 -45.1 -52.6 0.3 61.8 8.4 18 35 A T H X S+ 0 0 43 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.903 111.6 44.8 -53.0 -47.7 -2.3 59.4 6.9 19 36 A A H X S+ 0 0 48 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.895 113.9 47.5 -66.6 -44.8 -2.0 60.9 3.4 20 37 A R H X S+ 0 0 97 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.935 115.8 45.4 -62.5 -47.2 1.8 61.1 3.3 21 38 A I H X S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.3 -2,-0.2 0.949 111.9 51.4 -62.9 -51.7 2.2 57.5 4.5 22 39 A N H X S+ 0 0 66 -4,-2.9 4,-1.5 -5,-0.3 -2,-0.2 0.904 110.4 49.6 -50.6 -46.6 -0.5 56.2 2.1 23 40 A D H X S+ 0 0 103 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.883 111.6 47.9 -61.1 -41.8 1.3 57.9 -0.9 24 41 A A H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.872 106.5 57.9 -70.7 -32.7 4.6 56.4 0.2 25 42 A M H X S+ 0 0 26 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.834 103.5 53.4 -63.8 -32.9 3.0 52.9 0.5 26 43 A V H X S+ 0 0 79 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.917 108.1 50.1 -65.7 -42.6 1.9 53.1 -3.1 27 44 A Q H X S+ 0 0 92 -4,-1.4 4,-2.1 2,-0.2 5,-0.2 0.891 110.7 49.3 -63.0 -40.5 5.5 53.8 -4.1 28 45 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.933 110.7 50.5 -58.9 -50.9 6.6 50.8 -2.0 29 46 A E H X S+ 0 0 58 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.880 110.2 50.3 -56.4 -39.7 4.0 48.7 -3.7 30 47 A E H X S+ 0 0 123 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.934 114.1 42.5 -66.2 -46.0 5.1 49.8 -7.2 31 48 A L H X S+ 0 0 46 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.902 114.1 51.8 -71.7 -39.7 8.8 49.1 -6.6 32 49 A L H X S+ 0 0 1 -4,-2.8 4,-3.0 -5,-0.2 5,-0.3 0.951 110.5 48.0 -57.8 -49.9 8.1 45.8 -4.9 33 50 A H H X S+ 0 0 106 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.923 109.3 54.4 -61.9 -39.8 5.9 44.7 -7.8 34 51 A T H < S+ 0 0 75 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.957 112.1 43.6 -56.1 -48.6 8.6 45.7 -10.2 35 52 A E H >< S+ 0 0 27 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.938 112.5 51.0 -62.7 -47.3 11.2 43.5 -8.3 36 53 A L H 3< S+ 0 0 4 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.829 113.7 46.3 -62.0 -28.8 8.8 40.6 -7.9 37 54 A S T 3< S+ 0 0 41 -4,-2.1 2,-0.4 -5,-0.3 -1,-0.3 0.115 90.5 109.9-102.9 24.0 8.1 40.7 -11.7 38 55 A S < + 0 0 41 -3,-1.8 2,-0.2 6,-0.1 82,-0.1 -0.796 56.9 37.1 -97.8 141.2 11.7 41.1 -12.8 39 56 A G S S- 0 0 60 -2,-0.4 -3,-0.0 4,-0.1 5,-0.0 -0.672 98.4 -12.2 119.2-172.9 13.6 38.3 -14.6 40 57 A E >> - 0 0 123 -2,-0.2 4,-3.1 1,-0.1 3,-0.9 -0.281 64.6-118.2 -65.4 144.0 12.9 35.6 -17.2 41 58 A D H 3> S+ 0 0 111 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.873 112.5 54.0 -48.7 -45.3 9.2 35.0 -18.0 42 59 A F H 3> S+ 0 0 133 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.824 114.6 42.3 -66.4 -29.4 9.2 31.3 -16.8 43 60 A L H <> S+ 0 0 45 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.904 113.1 50.7 -78.6 -46.0 10.6 32.5 -13.4 44 61 A V H X S+ 0 0 17 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.916 104.7 58.7 -60.1 -39.5 8.4 35.5 -13.1 45 62 A D H X S+ 0 0 106 -4,-3.0 4,-1.7 -5,-0.3 -1,-0.2 0.919 108.6 46.8 -54.8 -42.0 5.3 33.4 -13.8 46 63 A I H X S+ 0 0 46 -4,-0.8 4,-1.3 -5,-0.2 -1,-0.2 0.947 112.1 47.5 -66.7 -45.9 6.2 31.3 -10.8 47 64 A V H X S+ 0 0 1 -4,-2.4 4,-1.0 1,-0.2 3,-0.4 0.909 112.1 50.4 -63.5 -38.8 6.9 34.2 -8.5 48 65 A M H < S+ 0 0 62 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.859 106.8 55.3 -68.8 -33.5 3.6 35.9 -9.5 49 66 A H H < S+ 0 0 171 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.780 110.8 44.4 -68.4 -26.0 1.7 32.7 -8.9 50 67 A L H < S+ 0 0 62 -4,-1.3 2,-0.8 -3,-0.4 -1,-0.2 0.574 87.7 105.4 -89.8 -14.5 3.0 32.5 -5.3 51 68 A T < - 0 0 40 -4,-1.0 2,-1.0 -3,-0.2 -3,-0.0 -0.592 63.6-151.9 -74.3 110.2 2.4 36.2 -4.7 52 69 A R - 0 0 154 -2,-0.8 -1,-0.1 1,-0.1 -3,-0.1 -0.735 23.2-116.6 -89.8 100.8 -0.6 36.3 -2.5 53 70 A A - 0 0 106 -2,-1.0 -1,-0.1 1,-0.1 -2,-0.0 -0.084 44.6-176.9 -31.8 113.5 -2.6 39.5 -2.9 54 71 A G - 0 0 60 1,-0.2 2,-0.5 3,-0.0 -1,-0.1 0.957 17.9-145.5 -93.2 -61.8 -2.0 40.8 0.6 55 72 A G S S+ 0 0 57 2,-0.0 2,-0.5 0, 0.0 -1,-0.2 -0.939 72.3 14.2 124.3-109.4 -3.7 44.1 1.5 56 73 A K - 0 0 118 -2,-0.5 2,-0.8 -51,-0.1 -48,-0.2 -0.916 67.1-144.8-111.0 130.9 -1.7 46.2 3.9 57 74 A R > - 0 0 35 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 -0.781 9.3-166.8 -98.2 103.8 2.0 45.4 4.6 58 75 A F H > S+ 0 0 5 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.871 80.0 55.5 -60.7 -43.0 2.9 46.1 8.2 59 76 A R H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.939 111.3 41.6 -63.8 -47.2 6.7 46.0 7.9 60 77 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.908 113.1 55.7 -66.1 -34.8 7.1 48.6 5.2 61 78 A M H X S+ 0 0 11 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.918 107.9 48.8 -59.4 -43.9 4.5 50.8 6.9 62 79 A F H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.910 109.2 52.3 -61.9 -41.2 6.6 50.7 10.1 63 80 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.891 110.3 48.9 -60.6 -40.3 9.7 51.6 8.1 64 81 A L H X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 10,-0.3 0.926 111.9 48.1 -66.3 -45.3 7.8 54.6 6.6 65 82 A L H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 4,-0.2 0.928 110.1 52.5 -58.1 -46.6 6.6 55.7 10.1 66 83 A A H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.855 101.8 60.1 -58.0 -37.3 10.1 55.4 11.5 67 84 A S H >< S+ 0 0 0 -4,-1.7 3,-2.2 1,-0.3 -1,-0.3 0.754 85.4 78.1 -65.4 -20.0 11.4 57.6 8.7 68 85 A E T << S+ 0 0 36 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.684 86.9 62.4 -63.2 -12.7 9.2 60.4 9.9 69 86 A F T < S+ 0 0 27 -3,-1.7 120,-0.4 -4,-0.2 -1,-0.3 0.443 95.5 70.1 -92.0 -0.6 11.8 60.9 12.7 70 87 A G S < S- 0 0 14 -3,-2.2 117,-0.2 118,-0.2 118,-0.2 -0.502 92.8-103.2-108.6-177.9 14.6 61.9 10.3 71 88 A E S S+ 0 0 172 115,-0.7 116,-0.2 1,-0.2 -3,-0.1 0.675 116.2 43.7 -78.2 -19.6 15.4 64.9 8.1 72 89 A K S > S- 0 0 144 114,-2.9 3,-1.1 -5,-0.1 -1,-0.2 -0.508 80.1-176.3-126.6 69.2 14.4 63.1 4.9 73 90 A P T 3 + 0 0 48 0, 0.0 -5,-0.1 0, 0.0 -9,-0.1 -0.292 69.4 2.6 -61.8 140.2 11.1 61.2 5.7 74 91 A L T 3 S+ 0 0 30 -10,-0.3 -10,-0.1 -11,-0.2 112,-0.0 0.725 92.6 158.3 60.2 23.3 9.7 59.0 3.0 75 92 A S <> - 0 0 35 -3,-1.1 4,-2.3 1,-0.1 3,-0.3 -0.118 59.6 -90.9 -76.7 178.0 12.5 59.7 0.7 76 93 A E H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.862 127.8 47.8 -61.9 -37.7 13.5 57.4 -2.3 77 94 A N H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.810 108.4 54.7 -75.5 -29.0 16.0 55.4 -0.2 78 95 A V H > S+ 0 0 0 -3,-0.3 4,-2.2 107,-0.2 -2,-0.2 0.921 110.5 47.0 -61.6 -47.7 13.4 55.0 2.7 79 96 A I H X S+ 0 0 10 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.917 113.3 48.5 -58.4 -46.3 11.0 53.5 0.1 80 97 A K H X S+ 0 0 20 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.897 110.5 50.1 -65.3 -43.0 13.7 51.3 -1.3 81 98 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.899 108.7 53.4 -57.9 -40.3 14.7 50.1 2.2 82 99 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.880 108.1 50.6 -64.7 -35.1 11.0 49.3 3.0 83 100 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.900 107.6 52.8 -68.8 -41.2 10.9 47.2 -0.2 84 101 A V H X S+ 0 0 3 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.931 109.7 49.1 -59.9 -44.9 14.0 45.3 0.9 85 102 A V H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.940 113.3 46.3 -59.2 -47.6 12.4 44.5 4.3 86 103 A E H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.880 110.5 51.7 -65.9 -36.7 9.2 43.3 2.6 87 104 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.882 110.0 50.6 -64.9 -38.7 11.1 41.2 -0.0 88 105 A T H X S+ 0 0 3 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.925 108.7 51.7 -65.3 -42.4 13.0 39.6 2.8 89 106 A H H X S+ 0 0 21 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.928 112.2 45.9 -54.7 -50.7 9.8 38.9 4.6 90 107 A L H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.908 110.4 52.3 -63.1 -42.4 8.3 37.2 1.5 91 108 A A H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.922 108.9 52.8 -57.4 -45.4 11.5 35.2 0.8 92 109 A T H X S+ 0 0 12 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.876 107.9 49.9 -54.1 -48.3 11.3 33.9 4.4 93 110 A L H X S+ 0 0 27 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.881 106.8 54.4 -58.9 -45.6 7.7 32.8 4.0 94 111 A Y H X S+ 0 0 10 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.924 113.5 41.8 -61.5 -39.8 8.5 30.9 0.8 95 112 A H H X S+ 0 0 46 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.869 115.3 51.6 -74.3 -36.0 11.2 28.9 2.5 96 113 A D H >X S+ 0 0 13 -4,-2.5 4,-2.8 -5,-0.2 3,-0.5 0.920 105.9 54.0 -59.7 -48.9 9.1 28.5 5.7 97 114 A D H 3< S+ 0 0 96 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.855 103.5 56.3 -58.8 -36.6 6.1 27.2 3.7 98 115 A V H 3< S+ 0 0 34 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.849 114.5 39.7 -64.7 -32.0 8.2 24.5 2.1 99 116 A M H << 0 0 101 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.901 360.0 360.0 -83.6 -43.9 9.2 23.2 5.5 100 117 A D < 0 0 140 -4,-2.8 -3,-0.1 -5,-0.1 -4,-0.0 0.434 360.0 360.0 -63.9 360.0 5.9 23.6 7.4 101 ! 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 0.0 102 129 A N > 0 0 148 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-148.8 2.9 16.7 -7.6 103 130 A A H > + 0 0 64 2,-0.2 4,-1.6 1,-0.1 5,-0.2 0.672 360.0 70.9 -97.6 -21.5 4.6 18.1 -4.5 104 131 A R H > S+ 0 0 182 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.841 102.5 47.6 -63.2 -31.9 8.2 17.6 -5.5 105 132 A W H > S+ 0 0 151 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.925 106.8 53.3 -75.5 -47.7 7.8 20.5 -8.0 106 133 A D H X S+ 0 0 94 -4,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.839 110.7 49.2 -57.0 -35.4 6.1 23.0 -5.7 107 134 A N H X S+ 0 0 72 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.945 110.0 49.3 -72.9 -46.7 8.9 22.6 -3.2 108 135 A S H X S+ 0 0 62 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.949 114.4 45.7 -54.6 -47.1 11.6 23.1 -5.7 109 136 A V H X S+ 0 0 21 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.888 110.0 52.3 -74.9 -33.4 10.0 26.2 -7.1 110 137 A A H X S+ 0 0 9 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.862 109.0 51.4 -62.6 -37.6 9.2 27.8 -3.7 111 138 A I H X S+ 0 0 73 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.932 113.9 44.4 -62.8 -45.4 12.9 27.4 -2.7 112 139 A L H X S+ 0 0 107 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.849 109.6 54.6 -72.0 -35.1 13.9 29.1 -5.9 113 140 A A H X S+ 0 0 3 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4,-2.5 2,-0.2 5,-0.3 0.932 111.6 49.9 -62.2 -47.6 7.1 40.0 20.7 206 233 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.939 108.8 52.6 -57.4 -47.9 3.7 41.6 21.6 207 234 A F H X S+ 0 0 2 -4,-3.1 4,-2.1 1,-0.2 -204,-0.3 0.911 113.8 41.7 -54.7 -48.6 2.2 40.7 18.2 208 235 A Q H X S+ 0 0 45 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.894 115.9 46.6 -72.7 -42.4 3.1 37.0 18.5 209 236 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.931 113.3 50.0 -65.6 -41.5 2.2 36.5 22.1 210 237 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.936 111.2 49.4 -62.1 -44.5 -1.1 38.3 21.7 211 238 A D H X S+ 0 0 19 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.891 110.7 51.1 -56.5 -43.4 -1.9 36.1 18.7 212 239 A D H X S+ 0 0 11 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.895 109.9 48.6 -66.3 -39.5 -1.0 33.0 20.7 213 240 A I H >X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 3,-0.6 0.933 111.3 50.2 -61.4 -48.6 -3.2 34.0 23.6 214 241 A I H 3X S+ 0 0 41 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.915 104.6 59.0 -58.1 -41.2 -6.1 34.6 21.1 215 242 A D H 3< S+ 0 0 32 -4,-2.4 6,-1.5 1,-0.2 7,-0.3 0.826 117.8 30.7 -58.4 -34.6 -5.6 31.2 19.5 216 243 A I H << S+ 0 0 14 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.824 129.6 33.5 -93.3 -38.9 -6.2 29.5 22.8 217 244 A F H < 0 0 47 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.470 360.0 360.0-106.8 -3.0 -8.6 31.8 24.7 218 245 A S < 0 0 117 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.1 -0.001 360.0 360.0 93.9 360.0 -10.6 33.0 21.6 219 ! 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 0.0 220 254 A P 0 0 117 0, 0.0 -4,-0.1 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 -49.1 -10.4 26.8 18.1 221 255 A G > + 0 0 0 -6,-1.5 4,-1.1 -7,-0.1 3,-0.2 0.924 360.0 164.2 69.4 48.0 -7.0 26.0 19.6 222 256 A T H > + 0 0 66 -7,-0.3 4,-1.1 1,-0.2 6,-0.2 0.811 66.8 60.1 -73.5 -29.1 -5.4 25.0 16.4 223 257 A D H >>S+ 0 0 33 1,-0.2 5,-2.4 2,-0.2 4,-0.8 0.912 100.5 57.8 -59.4 -44.2 -1.7 25.2 17.7 224 258 A L H >45S+ 0 0 1 1,-0.2 3,-1.7 2,-0.2 31,-0.6 0.923 100.0 55.4 -53.5 -49.9 -2.5 22.5 20.3 225 259 A R H 3<5S+ 0 0 85 -4,-1.1 30,-0.3 1,-0.3 -1,-0.2 0.867 107.3 51.7 -52.1 -39.5 -3.6 20.0 17.6 226 260 A E H 3<5S- 0 0 131 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.657 118.3-110.9 -70.0 -18.6 -0.2 20.4 15.9 227 261 A G T <<5S+ 0 0 27 -3,-1.7 2,-0.8 -4,-0.8 -3,-0.2 0.674 74.1 140.2 84.8 18.4 1.7 19.8 19.2 228 262 A V < - 0 0 67 -5,-2.4 2,-0.8 -6,-0.2 -1,-0.3 -0.878 34.1-167.5 -95.5 106.5 2.7 23.5 19.1 229 263 A F - 0 0 47 -2,-0.8 -66,-0.1 -3,-0.1 2,-0.0 -0.859 8.1-164.5-100.1 108.1 2.5 24.7 22.8 230 264 A T >> - 0 0 6 -2,-0.8 4,-2.1 -18,-0.1 3,-1.2 -0.192 40.4 -71.8 -86.8-179.5 2.8 28.5 23.0 231 265 A L H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.790 127.4 49.2 -47.5 -50.4 3.5 30.7 26.0 232 266 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.880 114.6 47.5 -60.2 -34.8 0.2 30.4 28.0 233 267 A V H <> S+ 0 0 1 -3,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.902 111.0 50.5 -69.5 -41.2 0.4 26.6 27.6 234 268 A L H X S+ 0 0 23 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.885 110.9 48.8 -66.3 -40.7 4.0 26.5 28.7 235 269 A Y H >X S+ 0 0 27 -4,-2.5 3,-1.2 -5,-0.2 4,-0.5 0.940 111.7 49.5 -60.6 -45.3 3.3 28.6 31.8 236 270 A A H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.905 105.7 57.7 -62.3 -41.0 0.3 26.3 32.7 237 271 A L H 3< S+ 0 0 32 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.650 102.6 56.0 -60.5 -18.2 2.5 23.2 32.2 238 272 A R H << S+ 0 0 170 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.605 83.5 114.8 -88.2 -15.8 4.9 24.6 34.9 239 273 A E << - 0 0 39 -3,-1.4 2,-1.3 -4,-0.5 -3,-0.0 -0.312 62.3-143.1 -71.1 139.2 2.2 25.0 37.6 240 274 A D + 0 0 158 4,-0.1 -1,-0.1 -2,-0.1 -3,-0.1 -0.491 69.8 101.6 -92.8 63.9 2.3 22.9 40.8 241 275 A T S > S- 0 0 55 -2,-1.3 4,-2.5 1,-0.0 5,-0.2 -0.854 90.1 -99.7-137.3 168.5 -1.4 22.6 40.8 242 276 A P H > S+ 0 0 112 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.874 124.8 51.6 -63.0 -33.5 -3.8 19.8 39.9 243 277 A V H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.914 109.3 49.4 -68.1 -41.0 -4.5 21.5 36.6 244 278 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 111.9 49.4 -60.2 -44.0 -0.7 21.7 35.9 245 279 A A H X S+ 0 0 49 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.902 111.4 47.9 -63.0 -40.7 -0.3 18.0 36.7 246 280 A E H X S+ 0 0 79 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.877 111.5 50.3 -70.7 -38.3 -3.2 17.0 34.5 247 281 A L H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.897 108.9 51.9 -63.2 -43.1 -1.9 19.1 31.6 248 282 A R H < S+ 0 0 106 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.906 110.8 49.7 -60.4 -41.7 1.6 17.6 32.0 249 283 A D H < S+ 0 0 127 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.909 119.7 35.8 -59.9 -45.3 -0.1 14.1 31.8 250 284 A I H < S+ 0 0 34 -4,-2.1 2,-1.8 1,-0.2 3,-0.3 0.901 102.8 70.3 -78.7 -41.5 -2.0 15.0 28.7 251 285 A L < + 0 0 13 -4,-3.2 -1,-0.2 1,-0.2 4,-0.1 -0.470 51.5 124.4 -90.5 71.4 0.3 17.2 26.6 252 286 A T S S- 0 0 129 -2,-1.8 -1,-0.2 -3,-0.2 -2,-0.1 0.415 84.4 -33.3-103.5 -5.7 3.0 14.8 25.5 253 287 A G S S- 0 0 19 -3,-0.3 -26,-0.2 -29,-0.1 -1,-0.2 -0.962 99.0 -18.7 172.9-165.2 2.5 15.6 21.8 254 288 A P - 0 0 75 0, 0.0 2,-0.3 0, 0.0 -29,-0.2 -0.203 61.5-126.2 -65.7 156.1 -0.1 16.5 19.3 255 289 A L - 0 0 14 -31,-0.6 3,-0.1 -30,-0.3 -28,-0.0 -0.766 19.0-169.9-117.1 159.8 -3.8 16.0 20.0 256 290 A E + 0 0 158 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.849 56.5 48.4-126.2 -58.4 -6.3 14.2 18.0 257 291 A D S > S- 0 0 76 1,-0.1 4,-2.0 -32,-0.0 3,-0.5 -0.722 74.7-119.8 -97.0 150.1 -10.0 14.3 18.8 258 292 A D H > S+ 0 0 113 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.721 112.5 66.4 -50.9 -20.9 -12.0 17.5 19.5 259 293 A E H > S+ 0 0 155 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.944 104.0 37.2 -74.5 -50.0 -12.6 15.8 22.8 260 294 A T H > S+ 0 0 48 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.892 119.0 50.7 -69.3 -41.7 -9.0 15.9 24.2 261 295 A V H X S+ 0 0 2 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.956 111.5 47.9 -58.3 -51.8 -8.4 19.3 22.6 262 296 A N H X S+ 0 0 108 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.857 111.2 50.6 -56.0 -39.8 -11.6 20.7 24.1 263 297 A H H X S+ 0 0 76 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.931 110.9 48.8 -69.1 -44.0 -10.6 19.3 27.5 264 298 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.933 109.0 52.4 -58.6 -47.8 -7.2 20.8 27.3 265 299 A L H X S+ 0 0 34 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.852 110.5 49.5 -57.5 -35.6 -8.6 24.2 26.4 266 300 A E H X S+ 0 0 94 -4,-1.7 4,-1.1 -5,-0.2 -2,-0.2 0.951 110.7 48.3 -69.0 -47.1 -10.9 23.9 29.4 267 301 A L H >X S+ 0 0 4 -4,-2.7 3,-0.8 1,-0.2 4,-0.7 0.920 109.6 53.6 -55.3 -46.2 -7.9 23.1 31.7 268 302 A L H >< S+ 0 0 1 -4,-3.1 3,-1.2 1,-0.3 6,-0.4 0.919 106.2 52.4 -57.1 -40.9 -6.0 26.0 30.3 269 303 A S H 3< S+ 0 0 67 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.744 110.1 49.4 -68.3 -20.1 -8.9 28.3 31.1 270 304 A Q H << S+ 0 0 113 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.557 104.3 77.3 -89.1 -9.2 -8.8 27.0 34.7 271 305 A S S << S- 0 0 21 -3,-1.2 3,-0.2 -4,-0.7 4,-0.2 -0.209 89.6-114.2 -94.8-176.1 -5.0 27.5 34.9 272 306 A G S > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.211 86.5 105.2 -99.7 13.7 -2.9 30.7 35.5 273 307 A G H > S+ 0 0 0 -5,-0.4 4,-2.2 1,-0.2 5,-0.2 0.858 73.2 52.6 -68.1 -38.1 -1.4 30.5 32.0 274 308 A R H > S+ 0 0 59 -6,-0.4 4,-2.6 -3,-0.2 -1,-0.2 0.950 112.7 44.0 -63.7 -46.7 -3.4 33.2 30.3 275 309 A Q H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.870 111.6 53.5 -69.9 -34.7 -2.5 35.8 33.0 276 310 A A H X S+ 0 0 25 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.908 112.5 44.3 -63.0 -42.1 1.1 34.7 33.0 277 311 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.898 112.9 52.2 -67.7 -40.5 1.3 35.2 29.2 278 312 A L H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.889 106.1 53.0 -63.7 -39.4 -0.6 38.5 29.5 279 313 A D H X S+ 0 0 82 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.846 107.4 52.6 -65.4 -31.6 1.9 39.8 32.1 280 314 A E H X S+ 0 0 26 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.926 107.4 51.8 -68.4 -41.6 4.7 38.9 29.7 281 315 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.924 109.3 50.8 -53.4 -44.0 2.9 41.0 27.1 282 316 A Y H X S+ 0 0 66 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.851 105.8 54.9 -66.3 -34.5 2.7 43.9 29.6 283 317 A R H X S+ 0 0 111 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.900 110.4 45.2 -65.7 -42.5 6.4 43.6 30.2 284 318 A Y H X S+ 0 0 25 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.844 109.8 55.6 -67.1 -32.4 7.1 44.0 26.5 285 319 A M H X S+ 0 0 17 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.891 106.5 51.1 -68.2 -36.0 4.6 46.9 26.4 286 320 A D H X S+ 0 0 112 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.903 110.9 48.4 -63.6 -43.5 6.7 48.5 29.2 287 321 A I H X S+ 0 0 61 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.934 110.6 50.9 -59.7 -45.1 9.8 48.0 27.1 288 322 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.916 110.8 48.5 -58.8 -45.5 8.1 49.5 24.0 289 323 A N H X S+ 0 0 47 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.868 108.3 54.5 -64.4 -36.3 7.0 52.6 26.1 290 324 A A H < S+ 0 0 49 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.832 108.7 49.0 -66.8 -31.7 10.5 53.0 27.4 291 325 A E H >< S+ 0 0 28 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.934 109.0 51.3 -72.0 -42.1 11.7 53.0 23.7 292 326 A L H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.799 97.5 68.9 -63.6 -28.3 9.2 55.6 22.7 293 327 A D T 3< S+ 0 0 122 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.781 93.6 59.7 -55.7 -28.5 10.3 57.7 25.7 294 328 A R T < S+ 0 0 73 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.568 97.0 75.3 -78.7 -7.9 13.5 58.1 23.7 295 329 A L S < S- 0 0 4 -3,-1.9 2,-0.1 -4,-0.2 3,-0.1 -0.755 90.6 -97.2-108.7 152.0 11.7 59.8 20.8 296 330 A P - 0 0 60 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.366 46.7 -97.5 -67.9 142.7 10.3 63.3 20.4 297 331 A D + 0 0 131 -2,-0.1 2,-0.3 -4,-0.1 3,-0.1 -0.294 67.1 130.0 -59.8 137.9 6.6 63.8 21.1 298 332 A S S > S- 0 0 46 -3,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.950 71.4 -94.3-179.6 164.6 4.6 63.8 17.9 299 333 A T H > S+ 0 0 68 -2,-0.3 4,-1.8 2,-0.2 -286,-0.2 0.793 124.6 55.2 -67.4 -28.2 1.6 62.3 16.2 300 334 A V H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.934 105.7 51.6 -71.7 -43.0 3.8 59.7 14.7 301 335 A K H > S+ 0 0 7 -5,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.926 112.5 46.2 -53.5 -44.6 5.1 58.7 18.1 302 336 A E H X S+ 0 0 73 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.810 108.0 55.7 -72.6 -30.1 1.5 58.3 19.3 303 337 A A H X S+ 0 0 9 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.888 109.3 48.2 -64.6 -40.5 0.5 56.3 16.2 304 338 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.934 113.5 47.2 -63.8 -44.7 3.3 53.9 17.0 305 339 A R H X S+ 0 0 54 -4,-2.2 4,-2.8 1,-0.2 3,-0.4 0.930 109.6 53.6 -61.0 -45.7 2.2 53.7 20.6 306 340 A N H X S+ 0 0 74 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.832 104.1 54.4 -63.8 -33.9 -1.4 53.2 19.6 307 341 A L H X S+ 0 0 3 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.865 112.3 43.7 -71.6 -30.5 -0.7 50.3 17.4 308 342 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.4 3,-0.2 0.953 116.7 46.9 -67.7 -51.1 1.1 48.6 20.3 309 343 A T H X S+ 0 0 36 -4,-2.8 4,-2.5 1,-0.3 -2,-0.2 0.885 108.8 53.8 -60.9 -43.2 -1.6 49.5 22.7 310 344 A F H X S+ 0 0 92 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.3 0.890 108.8 50.3 -61.7 -38.5 -4.4 48.5 20.5 311 345 A T H >< S+ 0 0 0 -4,-1.0 3,-1.2 -5,-0.2 4,-0.3 0.942 110.1 48.5 -66.2 -47.0 -2.9 45.1 20.1 312 346 A V H >X S+ 0 0 12 -4,-2.1 4,-2.3 1,-0.3 3,-2.2 0.924 104.9 61.5 -59.5 -39.8 -2.5 44.6 23.8 313 347 A K H 3< S+ 0 0 140 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.664 86.1 74.4 -63.3 -18.0 -6.1 45.6 24.3 314 348 A R T << S+ 0 0 73 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.755 121.7 9.5 -62.3 -23.8 -7.3 42.7 22.1 315 349 A V T <4 S+ 0 0 2 -3,-2.2 -2,-0.2 -4,-0.3 4,-0.2 0.504 111.5 100.4-128.2 -15.2 -6.5 40.5 25.2 316 350 A G S >< S- 0 0 4 -4,-2.3 3,-1.9 1,-0.2 2,-0.1 0.194 84.5 -39.5 -77.3-170.2 -5.8 42.9 28.0 317 351 A E T 3 S- 0 0 187 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 -0.279 129.1 -1.8 -66.8 123.0 -7.8 44.2 30.9 318 352 A G T 3 0 0 85 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.729 360.0 360.0 71.9 27.4 -11.5 44.8 30.0 319 353 A H < 0 0 137 -3,-1.9 -1,-0.2 -4,-0.2 -5,-0.1 -0.066 360.0 360.0 -54.8 360.0 -10.7 43.8 26.4