==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 25-APR-01 1IJD . COMPND 2 MOLECULE: LIGHT-HARVESTING PROTEIN B-800/820, ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBLASTUS ACIDOPHILUS; . AUTHOR K.MCLUSKEY,S.M.PRINCE,R.J.COGDELL,N.W.ISAACS . 258 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18229.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 80.2 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 . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 61.6 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+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 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 3 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 1 A X > 0 0 166 0, 0.0 3,-0.7 0, 0.0 63,-0.1 0.000 360.0 360.0 360.0 -72.3 31.4 11.2 38.2 2 2 A N T 3 + 0 0 123 1,-0.2 3,-0.3 2,-0.1 0, 0.0 0.393 360.0 73.9 -66.3 -0.2 30.6 14.4 40.1 3 3 A Q T > + 0 0 62 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.209 49.9 115.8-111.7 14.1 27.1 13.2 40.5 4 4 A G G X + 0 0 0 -3,-0.7 3,-1.5 1,-0.3 -1,-0.2 0.731 62.8 75.0 -63.7 -22.8 27.1 10.4 43.1 5 5 A K G > S+ 0 0 104 -3,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.511 71.2 90.1 -67.9 -0.7 25.0 12.3 45.6 6 6 A I G X> S+ 0 0 45 -3,-1.7 3,-2.1 1,-0.3 4,-1.8 0.848 75.9 63.9 -66.7 -29.9 22.0 11.6 43.5 7 7 A W G <4 S+ 0 0 4 -3,-1.5 44,-1.3 1,-0.3 -1,-0.3 0.635 91.7 65.1 -68.8 -11.7 21.4 8.3 45.4 8 8 A T G <4 S+ 0 0 49 -3,-1.6 -1,-0.3 42,-0.2 -2,-0.2 0.563 114.6 30.8 -78.5 -6.9 20.8 10.5 48.4 9 9 A V T <4 S+ 0 0 21 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.603 123.6 47.4-119.0 -24.3 17.7 11.8 46.5 10 10 A V S < S- 0 0 9 -4,-1.8 -1,-0.3 -5,-0.1 39,-0.1 -0.971 84.8-120.5-140.1 113.2 16.8 8.7 44.6 11 11 A P >> - 0 0 20 0, 0.0 3,-3.8 0, 0.0 4,-2.0 -0.288 17.3-149.7 -58.5 90.9 16.6 5.2 45.9 12 12 A P H 3> S+ 0 0 20 0, 0.0 4,-1.6 0, 0.0 6,-0.1 0.695 91.8 75.4 -37.2 -14.2 19.1 3.3 43.9 13 13 A A H 34 S+ 0 0 63 36,-0.3 37,-0.0 1,-0.2 -3,-0.0 0.793 115.2 18.9 -79.6 -15.5 16.8 0.3 44.4 14 14 A F H <> S+ 0 0 82 -3,-3.8 4,-1.1 3,-0.1 -1,-0.2 0.652 126.4 55.6-108.9 -38.6 14.5 1.8 41.8 15 15 A G H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.791 103.1 51.7 -71.6 -31.0 16.9 4.2 40.1 16 16 A L H X S+ 0 0 50 -4,-1.6 4,-3.0 -5,-0.3 5,-0.3 0.988 110.5 45.4 -74.8 -54.9 19.6 1.7 39.2 17 17 A P H > S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.823 110.7 60.1 -55.8 -27.8 17.5 -0.8 37.4 18 18 A L H X S+ 0 0 90 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.999 108.5 40.0 -58.0 -64.7 15.9 2.2 35.8 19 19 A M H X S+ 0 0 90 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.918 117.0 49.4 -45.0 -52.6 19.2 3.4 34.2 20 20 A L H X S+ 0 0 112 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.885 111.4 50.0 -66.7 -35.9 20.2 -0.2 33.3 21 21 A G H X S+ 0 0 29 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.909 107.5 52.1 -62.9 -43.0 16.9 -0.8 31.7 22 22 A A H X S+ 0 0 49 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.843 108.4 53.0 -70.6 -31.1 16.9 2.4 29.6 23 23 A V H X S+ 0 0 65 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.971 109.9 46.9 -56.4 -58.4 20.3 1.4 28.3 24 24 A A H X S+ 0 0 50 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.907 115.0 47.3 -52.5 -44.1 19.0 -2.0 27.3 25 25 A I H X S+ 0 0 90 -4,-2.8 4,-2.5 1,-0.2 3,-0.4 0.973 110.4 51.7 -63.1 -54.7 16.0 -0.4 25.6 26 26 A T H X S+ 0 0 55 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.860 106.9 53.9 -48.9 -40.4 18.1 2.2 23.9 27 27 A A H X S+ 0 0 37 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.921 108.5 48.0 -70.8 -33.3 20.4 -0.4 22.4 28 28 A L H X S+ 0 0 121 -4,-1.7 4,-3.2 -3,-0.4 5,-0.2 0.959 112.0 50.8 -68.7 -44.5 17.5 -2.3 20.9 29 29 A L H X S+ 0 0 81 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.962 109.6 48.9 -50.4 -58.1 16.1 0.9 19.5 30 30 A V H X S+ 0 0 83 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.880 114.2 47.2 -56.8 -36.9 19.4 1.8 17.9 31 31 A H H X S+ 0 0 104 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.998 111.0 50.9 -62.5 -62.4 19.7 -1.6 16.4 32 32 A A H X S+ 0 0 48 -4,-3.2 4,-1.2 2,-0.2 -2,-0.2 0.835 111.0 50.4 -34.3 -48.1 16.1 -1.5 15.2 33 33 A A H >X S+ 0 0 31 -4,-3.2 3,-2.0 -5,-0.2 4,-0.7 0.999 112.2 43.0 -61.8 -66.7 16.8 1.8 13.5 34 34 A V H >< S+ 0 0 30 -4,-1.9 3,-0.6 1,-0.3 4,-0.4 0.803 111.4 58.3 -46.0 -34.6 20.0 0.8 11.7 35 35 A L H 3< S+ 0 0 62 -4,-2.8 7,-0.4 1,-0.2 -1,-0.3 0.840 111.2 40.6 -68.0 -30.2 18.3 -2.4 10.7 36 36 A T H << S+ 0 0 86 -3,-2.0 -1,-0.2 -4,-1.2 -2,-0.2 0.312 116.7 45.8-108.0 7.3 15.4 -0.6 9.0 37 37 A H S << S+ 0 0 59 -4,-0.7 2,-0.3 -3,-0.6 -1,-0.2 0.105 106.6 57.9-139.4 22.2 17.4 2.2 7.2 38 38 A T - 0 0 14 -4,-0.4 4,-0.3 -3,-0.2 96,-0.1 -0.939 59.7-152.9-127.4 167.5 20.2 0.3 5.8 39 39 A T S > S+ 0 0 91 -2,-0.3 4,-2.2 2,-0.1 5,-0.1 0.566 93.0 65.9 -93.9 -17.4 20.3 -2.6 3.3 40 40 A W H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -5,-0.1 0.838 94.6 52.6 -90.2 -33.9 23.6 -3.8 4.7 41 41 A Y H >> S+ 0 0 53 -7,-0.3 4,-1.2 2,-0.2 3,-0.8 0.996 117.0 39.9 -46.9 -70.2 22.5 -4.7 8.2 42 42 A A H 34 S+ 0 0 46 -7,-0.4 4,-0.5 -4,-0.3 -2,-0.2 0.849 110.6 60.5 -53.5 -36.8 19.8 -6.9 6.8 43 43 A A H >< S+ 0 0 57 -4,-2.2 3,-1.8 1,-0.2 -1,-0.3 0.913 99.0 58.7 -52.7 -46.8 22.2 -8.0 4.0 44 44 A F H << S+ 0 0 161 -4,-1.9 -1,-0.2 -3,-0.8 -2,-0.2 0.849 99.0 55.9 -50.0 -48.7 24.3 -9.4 6.9 45 45 A L T 3< 0 0 117 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.560 360.0 360.0 -67.2 -9.1 21.6 -11.7 8.1 46 46 A Q < 0 0 216 -3,-1.8 -1,-0.0 -4,-0.5 -3,-0.0 -0.786 360.0 360.0-100.2 360.0 21.4 -13.2 4.6 47 !* 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 48 1 B A 0 0 106 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-164.3 14.3 0.9 49.3 49 2 B E - 0 0 155 1,-0.2 -36,-0.3 -39,-0.1 -40,-0.1 -0.763 360.0 -81.9-130.0 166.4 15.3 4.2 50.7 50 3 B V - 0 0 62 -2,-0.2 2,-0.3 -39,-0.2 -1,-0.2 -0.006 50.1-115.5 -61.1-179.5 17.8 6.9 49.9 51 4 B L - 0 0 44 -44,-1.3 -1,-0.1 -46,-0.1 2,-0.0 -0.852 20.7 -98.1-121.4 155.2 21.4 6.6 51.0 52 5 B T > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.385 44.8-108.5 -54.9 150.5 23.8 8.4 53.3 53 6 B S H > S+ 0 0 63 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.751 120.3 53.2 -54.7 -25.5 26.1 10.8 51.4 54 7 B E H > S+ 0 0 150 2,-0.2 4,-0.5 1,-0.1 -1,-0.2 0.925 110.7 40.8 -79.7 -46.2 28.9 8.3 52.1 55 8 B Q H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.815 112.5 58.1 -76.9 -32.2 27.3 5.1 50.7 56 9 B A H >X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 3,-0.6 0.988 105.5 47.5 -43.8 -69.6 25.9 7.1 47.8 57 10 B E H 3X S+ 0 0 67 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.672 113.1 51.9 -54.1 -16.8 29.3 8.2 46.6 58 11 B E H 3< S+ 0 0 100 -4,-0.5 4,-0.3 2,-0.2 -1,-0.2 0.811 107.8 48.4 -98.3 -37.5 30.5 4.6 47.0 59 12 B L H XX S+ 0 0 44 -4,-2.1 3,-2.9 -3,-0.6 4,-1.6 0.942 107.6 57.3 -49.1 -56.6 27.7 3.1 45.0 60 13 B H H 3X S+ 0 0 10 -4,-2.7 4,-2.5 1,-0.3 -2,-0.2 0.820 93.8 66.5 -59.2 -32.7 28.4 5.7 42.3 61 14 B K H 3< S+ 0 0 125 -4,-0.8 4,-0.4 -5,-0.2 -1,-0.3 0.815 107.7 41.9 -46.4 -33.2 32.0 4.5 42.1 62 15 B H H X> S+ 0 0 135 -3,-2.9 4,-2.9 -4,-0.3 3,-0.8 0.885 108.6 55.2 -90.9 -46.4 30.5 1.3 40.7 63 16 B V H 3X S+ 0 0 22 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.846 108.6 54.7 -43.5 -42.3 27.9 2.9 38.5 64 17 B I H 3X S+ 0 0 27 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.673 109.2 42.3 -80.4 -17.4 30.9 4.6 37.0 65 18 B D H <> S+ 0 0 81 -3,-0.8 4,-2.9 -4,-0.4 5,-0.3 0.875 109.2 58.9 -89.4 -43.3 33.0 1.6 36.2 66 19 B G H X S+ 0 0 43 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.937 107.8 49.1 -28.3 -67.4 29.9 -0.2 34.9 67 20 B T H X S+ 0 0 83 -4,-2.0 4,-3.4 2,-0.2 -1,-0.2 0.882 111.1 46.4 -46.7 -53.6 29.7 2.6 32.4 68 21 B R H X S+ 0 0 114 -4,-1.0 4,-3.8 2,-0.3 5,-0.3 0.936 108.9 54.5 -64.7 -48.2 33.3 2.6 31.3 69 22 B V H X S+ 0 0 84 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.935 113.9 44.9 -39.3 -53.9 33.3 -1.2 30.9 70 23 B F H X S+ 0 0 120 -4,-2.5 4,-3.0 -5,-0.3 -2,-0.3 0.994 113.4 48.1 -51.5 -68.5 30.3 -0.5 28.6 71 24 B L H X S+ 0 0 100 -4,-3.4 4,-3.1 1,-0.3 -2,-0.2 0.855 111.8 49.8 -41.1 -55.3 31.9 2.5 26.8 72 25 B V H X S+ 0 0 83 -4,-3.8 4,-2.1 1,-0.2 -1,-0.3 0.943 112.4 46.3 -52.8 -54.7 35.1 0.5 26.2 73 26 B I H X S+ 0 0 101 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.904 111.0 54.6 -57.7 -42.2 33.2 -2.5 24.8 74 27 B A H X S+ 0 0 25 -4,-3.0 4,-3.5 1,-0.2 5,-0.4 0.972 104.8 53.1 -48.5 -62.2 31.2 -0.0 22.7 75 28 B A H X S+ 0 0 52 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.858 109.0 49.5 -40.1 -47.3 34.4 1.4 21.3 76 29 B I H X S+ 0 0 96 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.984 113.8 46.0 -61.9 -56.8 35.5 -2.0 20.2 77 30 B A H X S+ 0 0 48 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.954 112.0 49.8 -37.1 -69.5 32.1 -2.6 18.7 78 31 B H H X S+ 0 0 117 -4,-3.5 4,-2.0 1,-0.2 -1,-0.2 0.787 115.4 45.6 -53.3 -27.5 32.0 0.7 16.9 79 32 B F H X S+ 0 0 114 -4,-1.7 4,-3.0 -5,-0.4 -2,-0.2 0.976 110.7 48.3 -83.1 -55.3 35.4 0.0 15.6 80 33 B L H X S+ 0 0 90 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.812 118.4 48.5 -38.5 -36.5 34.8 -3.6 14.5 81 34 B A H < S+ 0 0 39 -4,-2.9 3,-0.2 -5,-0.3 -2,-0.2 0.991 110.0 44.9 -68.9 -81.7 31.8 -1.9 12.9 82 35 B F H >< S+ 0 0 119 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.713 116.4 54.2 -13.6 -47.2 33.4 1.0 11.2 83 36 B T H 3< S+ 0 0 68 -4,-3.0 2,-0.7 1,-0.2 -1,-0.2 0.984 113.4 32.6 -69.5 -62.9 36.0 -1.5 10.1 84 37 B L T 3< S+ 0 0 125 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 -0.077 112.6 82.1 -88.0 37.9 33.9 -4.2 8.4 85 38 B T S < S- 0 0 35 -2,-0.7 49,-0.0 -3,-0.6 -4,-0.0 -0.987 78.4-125.0-160.5 143.6 31.3 -1.8 7.1 86 39 B P 0 0 77 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 0.670 360.0 360.0 -57.3 -20.8 30.1 0.7 4.6 87 40 B W 0 0 118 46,-0.1 -2,-0.1 -6,-0.1 46,-0.1 0.097 360.0 360.0 -58.9 360.0 29.5 3.2 7.4 88 !* 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 89 1 C X > 0 0 162 0, 0.0 3,-0.7 0, 0.0 63,-0.1 0.000 360.0 360.0 360.0 -72.3 16.8 28.7 38.2 90 2 C N T 3 + 0 0 124 1,-0.2 3,-0.3 2,-0.1 0, 0.0 0.393 360.0 73.9 -66.3 -0.2 14.2 30.7 40.1 91 3 C Q T > + 0 0 58 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.210 49.9 115.9-111.7 14.1 12.3 27.5 40.5 92 4 C G G X + 0 0 0 -3,-0.7 3,-1.5 1,-0.3 -1,-0.2 0.731 62.8 75.0 -63.7 -22.8 14.1 25.4 43.1 93 5 C K G > S+ 0 0 105 -3,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.511 71.2 90.1 -67.9 -0.8 11.2 25.5 45.6 94 6 C I G X> S+ 0 0 44 -3,-1.7 3,-2.1 1,-0.3 4,-1.8 0.848 75.9 63.9 -66.7 -29.9 9.4 23.0 43.5 95 7 C W G <4 S+ 0 0 5 -3,-1.5 44,-1.3 1,-0.3 -1,-0.3 0.635 91.7 65.1 -68.9 -11.6 11.0 20.1 45.4 96 8 C T G <4 S+ 0 0 49 -3,-1.6 -1,-0.3 42,-0.2 -2,-0.2 0.563 114.6 30.8 -78.6 -6.9 9.2 21.4 48.4 97 9 C V T <4 S+ 0 0 20 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.603 123.6 47.4-119.0 -24.3 6.0 20.4 46.5 98 10 C V S < S- 0 0 8 -4,-1.8 -1,-0.3 -5,-0.1 39,-0.1 -0.971 84.8-120.4-140.2 113.2 7.2 17.5 44.6 99 11 C P >> - 0 0 20 0, 0.0 3,-3.9 0, 0.0 4,-2.0 -0.288 17.3-149.7 -58.4 90.9 9.3 14.6 45.9 100 12 C P H 3> S+ 0 0 2 0, 0.0 4,-1.6 0, 0.0 6,-0.1 0.695 91.8 75.4 -37.2 -14.3 12.5 14.8 43.9 101 13 C A H 34 S+ 0 0 7 36,-0.3 -92,-0.1 1,-0.2 37,-0.0 0.793 115.2 18.9 -79.6 -15.5 12.7 11.0 44.4 102 14 C F H <> S+ 0 0 80 -3,-3.9 4,-1.1 3,-0.1 -1,-0.2 0.652 126.4 55.6-108.9 -38.7 9.9 10.7 41.8 103 15 C G H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.791 103.1 51.7 -71.6 -31.0 10.3 14.0 40.1 104 16 C L H X S+ 0 0 12 -4,-1.6 4,-3.0 -5,-0.3 5,-0.3 0.988 110.5 45.4 -74.8 -54.8 13.9 13.9 39.2 105 17 C P H > S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.822 110.7 60.1 -55.8 -27.8 13.9 10.6 37.4 106 18 C L H X S+ 0 0 91 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.999 108.5 40.0 -58.0 -64.7 10.7 11.9 35.8 107 19 C M H X S+ 0 0 90 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.918 117.0 49.4 -44.9 -52.7 12.5 14.9 34.2 108 20 C L H X S+ 0 0 103 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.885 111.4 50.0 -66.7 -35.9 15.6 12.9 33.3 109 21 C G H X S+ 0 0 31 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.909 107.5 52.1 -62.9 -43.0 13.5 10.2 31.7 110 22 C A H X S+ 0 0 48 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.844 108.4 53.0 -70.5 -31.1 11.4 12.7 29.6 111 23 C V H X S+ 0 0 65 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.971 109.9 47.0 -56.5 -58.3 14.7 14.1 28.3 112 24 C A H X S+ 0 0 47 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.907 115.0 47.3 -52.5 -44.1 15.9 10.7 27.3 113 25 C I H X S+ 0 0 89 -4,-2.8 4,-2.5 1,-0.2 3,-0.4 0.973 110.4 51.7 -63.1 -54.7 12.5 10.0 25.6 114 26 C T H X S+ 0 0 56 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.860 106.9 53.9 -48.8 -40.5 12.5 13.3 23.9 115 27 C A H X S+ 0 0 38 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.922 108.5 48.0 -70.7 -33.3 15.9 12.8 22.4 116 28 C L H X S+ 0 0 58 -4,-1.7 4,-3.2 -3,-0.4 5,-0.2 0.959 112.0 50.8 -68.7 -44.5 14.9 9.4 20.9 117 29 C L H X S+ 0 0 82 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.962 109.6 48.9 -50.3 -58.1 11.8 11.0 19.5 118 30 C V H X S+ 0 0 80 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.879 114.2 47.2 -56.8 -36.9 13.7 13.9 17.9 119 31 C H H X S+ 0 0 103 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.998 111.0 50.9 -62.5 -62.4 16.1 11.4 16.4 120 32 C A H X S+ 0 0 48 -4,-3.2 4,-1.2 2,-0.2 -2,-0.2 0.835 111.0 50.4 -34.3 -48.1 13.3 9.2 15.2 121 33 C A H >X S+ 0 0 32 -4,-3.2 3,-2.0 -5,-0.2 4,-0.7 0.999 112.2 43.0 -61.8 -66.6 11.7 12.2 13.5 122 34 C V H >< S+ 0 0 30 -4,-1.9 3,-0.6 1,-0.3 4,-0.4 0.802 111.4 58.3 -46.1 -34.6 14.8 13.5 11.7 123 35 C L H 3< S+ 0 0 13 -4,-2.8 7,-0.4 1,-0.2 -1,-0.3 0.840 111.2 40.6 -68.0 -30.2 15.5 9.9 10.7 124 36 C T H << S+ 0 0 77 -3,-2.0 -1,-0.2 -4,-1.2 -2,-0.2 0.312 116.7 45.8-108.1 7.3 12.2 9.5 9.0 125 37 C H S << S+ 0 0 59 -4,-0.7 2,-0.3 -3,-0.6 -1,-0.2 0.105 106.6 57.9-139.4 22.2 11.9 12.9 7.2 126 38 C T - 0 0 14 -4,-0.4 4,-0.3 -3,-0.2 96,-0.1 -0.939 59.7-152.9-127.4 167.5 15.3 13.2 5.8 127 39 C T S > S+ 0 0 94 -2,-0.3 4,-2.2 2,-0.1 5,-0.1 0.566 93.0 65.9 -93.9 -17.4 17.3 11.1 3.3 128 40 C W H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -5,-0.1 0.838 94.6 52.6 -90.2 -33.8 20.5 12.3 4.7 129 41 C Y H >> S+ 0 0 54 -7,-0.3 4,-1.2 2,-0.2 3,-0.8 0.996 117.0 39.9 -46.9 -70.2 20.3 10.8 8.2 130 42 C A H 34 S+ 0 0 22 -7,-0.4 4,-0.5 -4,-0.3 -2,-0.2 0.849 110.6 60.5 -53.5 -36.8 19.6 7.4 6.8 131 43 C A H >< S+ 0 0 55 -4,-2.2 3,-1.8 1,-0.2 -1,-0.3 0.913 99.0 58.7 -52.8 -46.8 22.2 8.1 4.0 132 44 C F H << S+ 0 0 122 -4,-1.9 -1,-0.2 -3,-0.8 -2,-0.2 0.849 99.0 55.9 -50.0 -48.7 24.7 8.5 6.9 133 45 C L T 3< 0 0 24 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.560 360.0 360.0 -67.2 -9.1 24.0 4.9 8.1 134 46 C Q < 0 0 96 -3,-1.8 -96,-0.1 -4,-0.5 -1,-0.0 -0.786 360.0 360.0-100.2 360.0 24.9 3.6 4.6 135 !* 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 0.0 136 1 D A 0 0 98 0, 0.0 2,-0.2 0, 0.0 -127,-0.0 0.000 360.0 360.0 360.0-164.3 10.4 9.9 49.3 137 2 D E - 0 0 157 1,-0.2 -36,-0.3 -39,-0.1 -40,-0.1 -0.763 360.0 -81.9-130.0 166.4 9.0 13.1 50.7 138 3 D V - 0 0 62 -2,-0.2 2,-0.3 -39,-0.2 -1,-0.2 -0.006 50.1-115.5 -61.1-179.5 9.2 16.8 49.9 139 4 D L - 0 0 40 -44,-1.3 -1,-0.1 -46,-0.1 2,-0.0 -0.852 20.7 -98.1-121.4 155.1 12.2 18.8 51.0 140 5 D T > - 0 0 71 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.385 44.8-108.5 -54.9 150.5 12.9 21.7 53.3 141 6 D S H > S+ 0 0 63 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.750 120.3 53.2 -54.7 -25.5 13.1 25.0 51.4 142 7 D E H > S+ 0 0 151 2,-0.2 4,-0.5 1,-0.1 -1,-0.2 0.924 110.7 40.8 -79.7 -46.2 16.8 24.9 52.1 143 8 D Q H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.815 112.5 58.1 -77.0 -32.2 17.6 21.4 50.7 144 9 D A H >X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 3,-0.6 0.988 105.5 47.5 -43.8 -69.6 15.3 22.0 47.8 145 10 D E H 3X S+ 0 0 65 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.673 113.1 51.9 -54.1 -16.7 17.2 25.1 46.6 146 11 D E H 3< S+ 0 0 98 -4,-0.5 4,-0.3 2,-0.2 -1,-0.2 0.811 107.8 48.4 -98.3 -37.5 20.4 23.1 47.0 147 12 D L H XX S+ 0 0 24 -4,-2.1 3,-2.9 -3,-0.6 4,-1.6 0.942 107.6 57.3 -49.1 -56.6 19.2 20.2 45.0 148 13 D H H 3X S+ 0 0 10 -4,-2.7 4,-2.5 1,-0.3 -2,-0.2 0.820 93.8 66.5 -59.2 -32.7 18.1 22.6 42.3 149 14 D K H 3< S+ 0 0 126 -4,-0.8 4,-0.3 -5,-0.2 -1,-0.3 0.815 107.7 41.9 -46.4 -33.2 21.6 24.0 42.1 150 15 D H H X> S+ 0 0 92 -3,-2.9 4,-2.9 -4,-0.3 3,-0.8 0.886 108.6 55.2 -90.9 -46.3 22.5 20.6 40.7 151 16 D V H 3X S+ 0 0 21 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.846 108.6 54.8 -43.6 -42.3 19.5 20.1 38.5 152 17 D I H 3X S+ 0 0 27 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.673 109.2 42.3 -80.3 -17.5 20.7 23.4 37.0 153 18 D D H <> S+ 0 0 80 -3,-0.8 4,-2.9 -4,-0.3 5,-0.3 0.875 109.2 58.9 -89.5 -43.3 24.3 22.4 36.2 154 19 D G H X S+ 0 0 33 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.937 107.8 49.1 -28.3 -67.4 23.1 19.1 34.9 155 20 D T H X S+ 0 0 86 -4,-2.0 4,-3.4 2,-0.2 -1,-0.2 0.881 111.1 46.4 -46.8 -53.7 21.0 21.1 32.4 156 21 D R H X S+ 0 0 112 -4,-1.0 4,-3.8 2,-0.3 5,-0.3 0.936 108.9 54.5 -64.7 -48.1 23.9 23.4 31.3 157 22 D V H X S+ 0 0 78 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.935 113.9 44.9 -39.4 -53.9 26.2 20.5 30.9 158 23 D F H X S+ 0 0 121 -4,-2.5 4,-3.0 -5,-0.3 -2,-0.3 0.994 113.4 48.1 -51.5 -68.5 23.5 19.1 28.6 159 24 D L H X S+ 0 0 101 -4,-3.4 4,-3.1 1,-0.3 -2,-0.2 0.855 111.8 49.8 -41.1 -55.3 22.9 22.4 26.8 160 25 D V H X S+ 0 0 79 -4,-3.8 4,-2.1 1,-0.2 -1,-0.3 0.943 112.4 46.3 -52.7 -54.7 26.6 23.0 26.2 161 26 D I H X S+ 0 0 101 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.904 111.0 54.6 -57.7 -42.2 27.0 19.5 24.8 162 27 D A H X S+ 0 0 25 -4,-3.0 4,-3.5 1,-0.2 5,-0.4 0.972 104.8 53.1 -48.4 -62.2 23.9 20.0 22.7 163 28 D A H X S+ 0 0 53 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.859 108.9 49.5 -40.0 -47.4 25.4 23.2 21.3 164 29 D I H X S+ 0 0 95 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.984 113.8 46.0 -61.9 -56.8 28.5 21.2 20.2 165 30 D A H X S+ 0 0 49 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.953 112.0 49.8 -37.1 -69.5 26.3 18.6 18.7 166 31 D H H X S+ 0 0 114 -4,-3.5 4,-2.0 1,-0.2 -1,-0.2 0.787 115.4 45.6 -53.3 -27.4 24.0 21.1 16.9 167 32 D F H X S+ 0 0 116 -4,-1.7 4,-3.0 -5,-0.4 -2,-0.2 0.977 110.7 48.3 -83.1 -55.3 27.1 22.8 15.6 168 33 D L H X S+ 0 0 90 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.812 118.4 48.5 -38.5 -36.5 28.9 19.6 14.5 169 34 D A H < S+ 0 0 41 -4,-2.9 3,-0.2 -5,-0.3 -2,-0.2 0.991 110.0 44.9 -68.9 -81.7 25.5 19.0 12.9 170 35 D F H >< S+ 0 0 122 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.713 116.4 54.2 -13.6 -47.2 25.0 22.3 11.2 171 36 D T H 3< S+ 0 0 67 -4,-3.0 2,-0.7 1,-0.2 -1,-0.2 0.984 113.4 32.6 -69.6 -62.9 28.5 22.0 10.1 172 37 D L T 3< S+ 0 0 126 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 -0.077 112.6 82.2 -88.0 37.9 28.7 18.6 8.4 173 38 D T S < S- 0 0 36 -2,-0.7 49,-0.0 -3,-0.6 -4,-0.0 -0.987 78.4-125.1-160.4 143.6 25.2 18.7 7.1 174 39 D P 0 0 79 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 0.670 360.0 360.0 -57.3 -20.9 22.6 19.9 4.6 175 40 D W 0 0 115 46,-0.1 -2,-0.1 -6,-0.1 46,-0.1 0.096 360.0 360.0 -58.9 360.0 20.6 21.4 7.4 176 !* 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 0.0 177 1 E X > 0 0 163 0, 0.0 3,-0.7 0, 0.0 63,-0.1 0.000 360.0 360.0 360.0 -72.4 -5.6 32.8 38.2 178 2 E N T 3 + 0 0 130 1,-0.2 3,-0.3 2,-0.1 0, 0.0 0.394 360.0 73.9 -66.3 -0.2 -8.8 32.7 40.1 179 3 E Q T > + 0 0 109 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.210 49.9 115.9-111.7 14.1 -8.3 28.9 40.5 180 4 E G G X + 0 0 0 -3,-0.7 3,-1.5 1,-0.3 -1,-0.2 0.731 62.8 75.0 -63.7 -22.7 -5.5 28.5 43.1 181 5 E K G > S+ 0 0 115 -3,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.511 71.2 90.1 -67.9 -0.7 -7.7 26.7 45.6 182 6 E I G X> S+ 0 0 79 -3,-1.7 3,-2.1 1,-0.3 4,-1.8 0.848 75.9 63.9 -66.7 -29.9 -7.6 23.6 43.5 183 7 E W G <4 S+ 0 0 4 -3,-1.5 44,-1.3 1,-0.3 -1,-0.3 0.635 91.7 65.1 -68.9 -11.6 -4.5 22.5 45.4 184 8 E T G <4 S+ 0 0 49 -3,-1.6 -1,-0.3 42,-0.2 -2,-0.2 0.563 114.6 30.8 -78.6 -6.9 -6.8 22.3 48.4 185 9 E V T <4 S+ 0 0 100 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.603 123.6 47.4-119.0 -24.3 -8.5 19.5 46.5 186 10 E V S < S- 0 0 43 -4,-1.8 -1,-0.3 -5,-0.1 39,-0.1 -0.971 84.8-120.4-140.1 113.2 -5.7 18.1 44.6 187 11 E P >> - 0 0 35 0, 0.0 3,-3.9 0, 0.0 4,-2.0 -0.288 17.3-149.7 -58.4 90.9 -2.3 17.2 45.9 188 12 E P H 3> S+ 0 0 2 0, 0.0 4,-1.6 0, 0.0 6,-0.1 0.695 91.8 75.4 -37.2 -14.3 0.1 19.4 43.9 189 13 E A H 34 S+ 0 0 7 36,-0.3 -92,-0.1 1,-0.2 37,-0.0 0.793 115.2 18.9 -79.5 -15.5 2.7 16.6 44.4 190 14 E F H <> S+ 0 0 113 -3,-3.9 4,-1.1 3,-0.1 -1,-0.2 0.652 126.4 55.6-108.9 -38.6 0.8 14.6 41.8 191 15 E G H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.791 103.1 51.7 -71.6 -31.0 -1.2 17.3 40.1 192 16 E L H X S+ 0 0 12 -4,-1.6 4,-3.0 -5,-0.3 5,-0.3 0.988 110.5 45.4 -74.8 -54.9 1.7 19.6 39.2 193 17 E P H > S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.822 110.7 60.0 -55.8 -27.8 3.8 17.0 37.4 194 18 E L H X S+ 0 0 107 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.999 108.5 40.0 -58.0 -64.6 0.6 16.0 35.8 195 19 E M H X S+ 0 0 90 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.918 117.0 49.4 -45.0 -52.7 0.0 19.5 34.2 196 20 E L H X S+ 0 0 101 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.885 111.4 50.0 -66.7 -35.9 3.7 19.9 33.3 197 21 E G H X S+ 0 0 30 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.909 107.5 52.1 -62.9 -43.1 3.7 16.5 31.7 198 22 E A H X S+ 0 0 52 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.843 108.4 53.0 -70.5 -31.1 0.6 17.1 29.6 199 23 E V H X S+ 0 0 66 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.971 109.9 47.0 -56.5 -58.3 2.2 20.3 28.3 200 24 E A H X S+ 0 0 48 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.907 115.1 47.3 -52.6 -44.1 5.3 18.4 27.3 201 25 E I H X S+ 0 0 91 -4,-2.8 4,-2.5 1,-0.2 3,-0.4 0.973 110.4 51.7 -63.0 -54.8 3.2 15.7 25.6 202 26 E T H X S+ 0 0 77 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.860 106.9 53.9 -48.8 -40.5 1.0 18.2 23.9 203 27 E A H X S+ 0 0 37 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.921 108.5 48.0 -70.7 -33.3 4.0 20.0 22.4 204 28 E L H X S+ 0 0 56 -4,-1.7 4,-3.2 -3,-0.4 5,-0.2 0.959 112.0 50.8 -68.7 -44.5 5.3 16.8 20.9 205 29 E L H X S+ 0 0 110 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.962 109.6 48.9 -50.4 -58.1 1.9 16.0 19.5 206 30 E V H X S+ 0 0 86 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.879 114.2 47.2 -56.8 -36.9 1.6 19.4 17.9 207 31 E H H X S+ 0 0 106 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.998 111.0 50.9 -62.5 -62.3 5.0 19.1 16.4 208 32 E A H X S+ 0 0 49 -4,-3.2 4,-1.2 2,-0.2 -2,-0.2 0.835 111.0 50.4 -34.4 -48.1 4.3 15.6 15.2 209 33 E A H >X S+ 0 0 49 -4,-3.2 3,-2.0 -5,-0.2 4,-0.7 0.999 112.2 43.0 -61.8 -66.7 1.1 16.9 13.5 210 34 E V H >< S+ 0 0 57 -4,-1.9 3,-0.6 1,-0.3 4,-0.4 0.802 111.4 58.3 -46.1 -34.6 2.7 19.8 11.7 211 35 E L H 3< S+ 0 0 17 -4,-2.8 7,-0.4 1,-0.2 -1,-0.3 0.840 111.2 40.6 -67.9 -30.2 5.6 17.6 10.7 212 36 E T H << S+ 0 0 75 -3,-2.0 -1,-0.2 -4,-1.2 -2,-0.2 0.313 116.7 45.8-108.1 7.3 3.3 15.1 9.0 213 37 E H S << S+ 0 0 159 -4,-0.7 2,-0.3 -3,-0.6 -1,-0.2 0.105 106.6 57.9-139.4 22.2 0.8 17.5 7.2 214 38 E T - 0 0 42 -4,-0.4 4,-0.3 -3,-0.2 0, 0.0 -0.939 59.7-152.9-127.4 167.5 3.2 20.0 5.8 215 39 E T S > S+ 0 0 119 -2,-0.3 4,-2.2 2,-0.1 5,-0.1 0.565 93.0 65.9 -93.9 -17.4 6.1 19.6 3.3 216 40 E W H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -5,-0.1 0.838 94.6 52.6 -90.1 -33.9 7.8 22.6 4.7 217 41 E Y H >> S+ 0 0 54 -7,-0.3 4,-1.2 2,-0.2 3,-0.8 0.996 117.0 39.9 -46.9 -70.2 8.6 21.4 8.2 218 42 E A H 34 S+ 0 0 20 -7,-0.4 4,-0.5 -4,-0.3 -2,-0.2 0.849 110.6 60.5 -53.5 -36.8 10.3 18.2 6.8 219 43 E A H >< S+ 0 0 56 -4,-2.2 3,-1.8 1,-0.2 -1,-0.3 0.913 98.9 58.7 -52.8 -46.7 11.8 20.5 4.0 220 44 E F H << S+ 0 0 124 -4,-1.9 -1,-0.2 -3,-0.8 -2,-0.2 0.849 99.0 56.0 -50.0 -48.7 13.5 22.3 6.9 221 45 E L T 3< 0 0 24 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.559 360.0 360.0 -67.2 -9.1 15.2 19.2 8.1 222 46 E Q < 0 0 95 -3,-1.8 -96,-0.1 -4,-0.5 -1,-0.0 -0.786 360.0 360.0-100.2 360.0 16.7 18.8 4.6 223 !* 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 0.0 224 1 F A 0 0 95 0, 0.0 2,-0.2 0, 0.0 -127,-0.0 0.000 360.0 360.0 360.0-164.3 1.6 14.3 49.3 225 2 F E - 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