==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 21-OCT-10 2XUV . COMPND 2 MOLECULE: HDEB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.H.NAISMITH,W.WANG . 280 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.7 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 . 1 0.4 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 . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 36.8 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 4 0 0 0 0 1 0 0 3 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 8 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 32 A E 0 0 143 0, 0.0 2,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 33.4 -27.3 -9.8 0.4 2 33 A S > - 0 0 67 1,-0.1 3,-1.9 89,-0.1 4,-0.3 -0.603 360.0-106.4 -98.1 162.0 -30.5 -11.3 -0.9 3 34 A A G > S+ 0 0 6 1,-0.3 3,-1.8 -2,-0.2 62,-0.2 0.836 119.1 64.4 -54.3 -34.2 -32.5 -10.1 -3.8 4 35 A X G 3 S+ 0 0 137 1,-0.3 -1,-0.3 60,-0.1 61,-0.2 0.649 99.0 55.6 -67.3 -13.6 -35.1 -8.7 -1.4 5 36 A D G < S+ 0 0 67 -3,-1.9 -1,-0.3 84,-0.1 2,-0.3 0.475 83.2 111.7 -91.2 -5.3 -32.4 -6.3 -0.2 6 37 A M < - 0 0 0 -3,-1.8 58,-2.7 -4,-0.3 59,-0.4 -0.527 61.1-138.8 -76.0 132.6 -31.7 -4.9 -3.7 7 38 A T B > -A 63 0A 35 56,-0.3 4,-2.2 -2,-0.3 56,-0.3 -0.445 23.7-111.9 -81.4 162.7 -32.7 -1.3 -4.3 8 39 A a H > S+ 0 0 0 54,-3.1 4,-2.6 51,-0.3 5,-0.2 0.892 120.4 54.5 -58.1 -38.8 -34.4 -0.2 -7.5 9 40 A Q H > S+ 0 0 13 51,-2.1 4,-1.7 53,-0.3 -1,-0.2 0.937 107.9 49.0 -60.9 -46.4 -31.2 1.8 -8.3 10 41 A E H 4 S+ 0 0 13 50,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.903 111.0 52.1 -58.7 -39.7 -29.1 -1.4 -7.9 11 42 A F H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.955 109.4 45.8 -64.0 -49.1 -31.6 -3.2 -10.2 12 43 A I H 3< S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.778 113.3 53.1 -69.8 -20.9 -31.5 -0.7 -13.1 13 44 A D T 3< S+ 0 0 21 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.493 84.5 118.6 -85.7 -7.8 -27.6 -0.7 -12.8 14 45 A L S < S- 0 0 5 -3,-1.5 5,-0.1 -4,-0.5 72,-0.1 -0.200 85.6 -86.2 -58.1 151.7 -27.3 -4.5 -13.0 15 46 A N >> - 0 0 26 1,-0.2 3,-2.9 67,-0.1 4,-0.7 -0.399 45.1-122.9 -45.6 126.4 -25.4 -6.1 -15.8 16 47 A P H >> S+ 0 0 70 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.800 111.5 64.2 -52.0 -29.2 -28.2 -6.2 -18.4 17 48 A X H 34 S+ 0 0 32 1,-0.2 61,-0.2 57,-0.1 -2,-0.1 0.513 104.5 47.3 -71.6 -7.1 -27.6 -10.0 -18.7 18 49 A A H <> S+ 0 0 0 -3,-2.9 4,-2.1 2,-0.1 -1,-0.2 0.527 90.6 82.0-102.9 -15.7 -28.8 -10.3 -15.0 19 50 A M H S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.902 116.0 48.0 -59.0 -41.0 -33.4 -13.5 -14.0 22 53 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.939 113.9 45.4 -66.7 -44.7 -33.5 -11.0 -11.1 23 54 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.930 112.9 51.5 -61.4 -45.0 -36.8 -9.5 -12.2 24 55 A W H X S+ 0 0 2 -4,-2.8 4,-2.2 -5,-0.3 5,-0.3 0.935 109.9 49.7 -56.5 -47.8 -38.3 -13.0 -12.7 25 56 A W H X S+ 0 0 13 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.940 110.9 48.8 -60.0 -46.7 -37.1 -14.1 -9.3 26 57 A M H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.912 116.3 43.6 -58.1 -42.4 -38.7 -11.1 -7.6 27 58 A L H < S+ 0 0 25 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.776 127.3 27.3 -74.4 -27.7 -42.0 -11.6 -9.5 28 59 A H H >< S+ 0 0 23 -4,-2.2 3,-1.8 -5,-0.2 83,-0.6 0.697 84.1 107.9-113.6 -27.3 -42.2 -15.4 -9.0 29 60 A E B 3< S+b 111 0B 35 -4,-2.9 83,-0.2 -5,-0.3 3,-0.1 -0.329 94.4 10.7 -63.7 138.9 -40.4 -16.5 -5.8 30 61 A E T 3 S+ 0 0 135 81,-3.3 2,-0.3 1,-0.3 -1,-0.3 0.674 110.7 103.6 62.5 24.9 -42.7 -17.7 -3.1 31 62 A T S < S- 0 0 43 -3,-1.8 80,-2.4 80,-0.2 -1,-0.3 -0.876 85.0 -88.2-122.2 162.6 -45.7 -17.6 -5.5 32 63 A V B -C 110 0C 79 -2,-0.3 2,-0.6 78,-0.3 78,-0.2 -0.474 42.0-123.0 -67.8 130.7 -47.5 -20.4 -7.2 33 64 A Y + 0 0 24 76,-1.1 3,-0.1 75,-0.3 -1,-0.1 -0.727 39.8 164.9 -80.2 122.2 -45.8 -21.4 -10.6 34 65 A X + 0 0 191 -2,-0.6 -1,-0.1 1,-0.1 -2,-0.0 0.200 44.4 100.4-115.7 11.5 -48.5 -21.0 -13.3 35 66 A G S S- 0 0 21 1,-0.2 3,-0.2 7,-0.0 2,-0.2 0.382 83.0-106.5 -92.4 1.8 -46.2 -21.1 -16.3 36 67 A G - 0 0 51 1,-0.2 -1,-0.2 -3,-0.1 69,-0.2 -0.581 56.5 -34.3 111.3-167.9 -46.5 -24.7 -17.6 37 68 A D S S+ 0 0 120 -2,-0.2 68,-2.6 67,-0.1 2,-0.3 0.809 121.6 40.3 -64.4 -34.5 -44.6 -27.9 -17.7 38 69 A T B S-D 104 0D 53 66,-0.3 2,-0.6 -3,-0.2 66,-0.2 -0.856 92.5-103.1-118.1 155.3 -41.2 -26.2 -18.1 39 70 A V + 0 0 1 64,-2.6 63,-3.2 61,-0.5 2,-0.3 -0.637 63.6 135.7 -78.8 116.6 -39.7 -23.1 -16.5 40 71 A T - 0 0 46 -2,-0.6 2,-0.2 61,-0.2 -5,-0.0 -0.969 59.0 -86.5-152.0 162.2 -39.8 -20.4 -19.1 41 72 A L - 0 0 77 -2,-0.3 2,-0.2 4,-0.0 -17,-0.0 -0.500 49.2-172.1 -65.4 149.1 -40.7 -16.7 -19.6 42 73 A N >> - 0 0 61 -2,-0.2 4,-1.6 1,-0.0 3,-0.9 -0.765 41.4 -84.5-139.1 179.7 -44.4 -16.2 -20.3 43 74 A E H 3> S+ 0 0 144 1,-0.3 4,-2.2 -2,-0.2 5,-0.2 0.869 122.8 61.5 -63.1 -34.1 -46.6 -13.3 -21.3 44 75 A T H 3> S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.879 106.7 47.3 -53.2 -40.7 -47.0 -12.1 -17.7 45 76 A D H <> S+ 0 0 3 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.871 106.2 57.1 -71.7 -37.0 -43.3 -11.6 -17.6 46 77 A L H < S+ 0 0 125 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.876 116.6 36.1 -60.0 -39.2 -43.3 -9.7 -21.0 47 78 A T H X S+ 0 0 68 -4,-2.2 4,-0.8 2,-0.1 -2,-0.2 0.895 122.3 42.6 -83.2 -38.5 -45.8 -7.3 -19.5 48 79 A Q H X S+ 0 0 62 -4,-2.7 4,-2.1 -5,-0.2 3,-0.2 0.873 102.9 62.0 -78.1 -40.3 -44.5 -7.0 -15.9 49 80 A I H X S+ 0 0 18 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.931 104.3 48.4 -60.4 -44.1 -40.7 -6.9 -16.4 50 81 A P H > S+ 0 0 72 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.875 110.7 53.3 -58.1 -35.2 -40.8 -3.6 -18.4 51 82 A X H X S+ 0 0 127 -4,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.858 106.0 52.9 -66.0 -36.1 -43.1 -2.2 -15.7 52 83 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.937 109.7 48.5 -62.6 -45.7 -40.5 -3.2 -13.0 53 84 A I H X S+ 0 0 46 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.933 114.4 45.0 -62.1 -45.8 -37.8 -1.3 -14.9 54 85 A E H X S+ 0 0 89 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.915 112.4 52.0 -64.4 -43.1 -40.0 1.8 -15.2 55 86 A Y H X S+ 0 0 43 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.918 110.8 48.1 -57.6 -44.7 -41.1 1.6 -11.6 56 87 A a H < S+ 0 0 0 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.854 108.1 53.6 -71.4 -32.6 -37.5 1.4 -10.5 57 88 A X H < S+ 0 0 133 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.892 114.3 42.9 -64.5 -39.3 -36.4 4.4 -12.7 58 89 A X H < S+ 0 0 108 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.771 127.2 31.1 -78.1 -21.8 -39.1 6.4 -11.1 59 90 A N >< + 0 0 36 -4,-1.7 3,-1.5 -5,-0.2 -51,-0.3 -0.479 67.8 157.2-133.9 60.3 -38.4 5.2 -7.5 60 91 A P T 3 S+ 0 0 13 0, 0.0 -51,-2.1 0, 0.0 -50,-0.3 0.759 73.2 55.0 -66.8 -22.5 -34.7 4.4 -7.4 61 92 A Q T 3 S+ 0 0 135 -53,-0.2 2,-0.1 -54,-0.1 3,-0.1 0.648 92.2 88.2 -83.1 -17.1 -34.4 4.7 -3.6 62 93 A X S < S- 0 0 115 -3,-1.5 -54,-3.1 -6,-0.1 -53,-0.3 -0.465 90.2 -97.6 -79.4 155.3 -37.2 2.1 -3.0 63 94 A N B > -A 7 0A 70 -56,-0.3 3,-1.8 -2,-0.1 4,-0.3 -0.477 28.2-122.0 -69.8 142.7 -36.4 -1.6 -2.7 64 95 A L G > S+ 0 0 0 -58,-2.7 3,-2.1 1,-0.3 4,-0.2 0.876 110.8 61.1 -46.5 -44.7 -37.0 -3.6 -5.9 65 96 A Y G > S+ 0 0 40 -59,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.652 83.3 78.2 -68.9 -14.4 -39.5 -5.9 -4.0 66 97 A T G X S+ 0 0 35 -3,-1.8 3,-2.0 1,-0.3 -1,-0.3 0.691 73.5 81.6 -66.9 -13.6 -41.8 -2.9 -3.3 67 98 A F G < S+ 0 0 38 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.867 84.3 60.4 -52.9 -33.9 -42.9 -3.3 -6.9 68 99 A X G < 0 0 94 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.524 360.0 360.0 -77.0 -8.5 -45.1 -6.1 -5.5 69 100 A N < 0 0 172 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.472 360.0 360.0 -94.9 360.0 -46.9 -3.6 -3.2 70 !* 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 71 30 B A 0 0 155 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.1 -26.2 -10.7 -30.8 72 31 B N + 0 0 90 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.073 360.0 93.9-160.9 37.5 -24.8 -10.9 -27.3 73 32 B E + 0 0 112 -57,-0.1 2,-0.1 5,-0.0 5,-0.0 0.348 55.5 108.8-122.4 12.6 -27.0 -9.3 -24.5 74 33 B S S > S- 0 0 52 1,-0.1 3,-1.8 -56,-0.0 4,-0.3 -0.399 78.4-112.2 -91.3 160.1 -29.1 -12.2 -23.2 75 34 B A G > S+ 0 0 17 1,-0.3 3,-1.5 2,-0.2 62,-0.1 0.874 118.1 60.7 -53.1 -36.8 -28.9 -13.9 -19.8 76 35 B X G 3 S+ 0 0 131 1,-0.3 61,-0.3 60,-0.1 -1,-0.3 0.657 99.4 57.5 -65.9 -16.7 -27.7 -17.0 -21.7 77 36 B D G < S+ 0 0 45 -3,-1.8 -1,-0.3 59,-0.1 -2,-0.2 0.462 74.8 129.3 -94.8 -3.0 -24.6 -15.1 -23.0 78 37 B M < - 0 0 0 -3,-1.5 58,-2.3 -4,-0.3 59,-0.5 -0.267 51.1-138.3 -61.0 132.4 -23.2 -14.1 -19.6 79 38 B T B > -E 135 0E 38 56,-0.3 4,-2.2 57,-0.1 56,-0.3 -0.478 20.5-114.7 -82.5 159.1 -19.6 -14.9 -19.1 80 39 B b H > S+ 0 0 0 54,-3.2 4,-2.5 51,-0.3 5,-0.2 0.893 118.6 54.8 -59.5 -38.4 -18.1 -16.3 -15.9 81 40 B Q H > S+ 0 0 37 51,-1.8 4,-1.4 53,-0.4 -1,-0.2 0.934 108.0 49.0 -59.7 -43.9 -16.2 -13.1 -15.4 82 41 B E H 4 S+ 0 0 32 50,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.893 110.0 53.3 -60.2 -40.0 -19.4 -11.1 -15.7 83 42 B F H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.938 108.8 46.1 -62.7 -47.7 -21.0 -13.5 -13.1 84 43 B I H 3< S+ 0 0 35 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.761 111.7 54.9 -71.1 -18.0 -18.3 -13.0 -10.5 85 44 B D T 3< S+ 0 0 9 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.351 87.0 117.0 -89.9 2.0 -18.5 -9.3 -11.1 86 45 B L S < S- 0 0 3 -3,-1.7 5,-0.1 -4,-0.2 136,-0.1 -0.258 84.8 -87.0 -68.8 155.0 -22.3 -9.1 -10.5 87 46 B N >> - 0 0 1 1,-0.2 3,-2.4 135,-0.1 4,-0.6 -0.469 46.1-125.2 -46.5 125.9 -24.0 -7.2 -7.7 88 47 B P H >> S+ 0 0 58 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.806 108.9 62.8 -56.5 -27.4 -23.8 -10.0 -5.0 89 48 B X H 34 S+ 0 0 54 1,-0.2 -83,-0.1 2,-0.1 -84,-0.1 0.635 102.0 52.1 -69.8 -16.6 -27.6 -9.8 -4.5 90 49 B A H <> S+ 0 0 0 -3,-2.4 4,-2.3 2,-0.1 -1,-0.2 0.579 86.2 84.1 -92.9 -14.2 -28.1 -10.9 -8.2 91 50 B M H S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.906 115.1 48.5 -61.4 -39.8 -31.3 -15.5 -9.0 94 53 B V H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.928 114.6 44.6 -65.2 -44.4 -28.9 -15.5 -12.0 95 54 B A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.913 112.5 52.5 -65.7 -42.2 -27.5 -18.9 -11.1 96 55 B W H X S+ 0 0 6 -4,-3.1 4,-2.2 -5,-0.2 5,-0.3 0.935 109.5 48.7 -57.8 -48.7 -31.0 -20.3 -10.3 97 56 B W H X S+ 0 0 9 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.934 110.7 51.1 -60.4 -41.3 -32.3 -19.2 -13.7 98 57 B M H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.925 114.7 43.5 -60.3 -41.1 -29.3 -20.8 -15.4 99 58 B L H < S+ 0 0 29 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.784 126.7 28.5 -75.6 -28.1 -30.0 -24.1 -13.6 100 59 B H H >< S+ 0 0 34 -4,-2.2 3,-2.3 -5,-0.2 -61,-0.5 0.708 83.4 108.7-112.0 -25.2 -33.7 -24.1 -14.0 101 60 B E T 3< S+ 0 0 10 -4,-2.9 -61,-0.2 -5,-0.3 3,-0.1 -0.315 94.2 12.4 -61.5 137.9 -34.8 -22.3 -17.2 102 61 B E T 3 S+ 0 0 104 -63,-3.2 -1,-0.3 1,-0.3 2,-0.2 0.403 104.7 115.5 72.3 2.2 -35.9 -24.9 -19.9 103 62 B T S < S- 0 0 41 -3,-2.3 -64,-2.6 -64,-0.2 -1,-0.3 -0.614 78.5 -92.9 -95.1 160.5 -36.1 -27.7 -17.3 104 63 B V B -D 38 0D 71 -66,-0.2 2,-0.5 -2,-0.2 -66,-0.3 -0.523 43.3-116.5 -69.4 132.3 -39.3 -29.5 -16.2 105 64 B Y + 0 0 49 -68,-2.6 -1,-0.1 -2,-0.2 -5,-0.0 -0.652 43.3 164.5 -77.4 119.5 -40.7 -27.8 -13.1 106 65 B X + 0 0 188 -2,-0.5 -1,-0.1 0, 0.0 -2,-0.0 0.112 37.2 112.9-121.5 16.4 -40.6 -30.3 -10.3 107 66 B G - 0 0 43 1,-0.2 4,-0.1 2,-0.1 6,-0.0 -0.099 67.1-100.4 -83.3-178.5 -41.2 -28.0 -7.4 108 67 B G - 0 0 51 2,-0.5 -75,-0.3 4,-0.1 -1,-0.2 0.097 62.2 -57.6 -84.7-154.8 -44.1 -27.7 -5.1 109 68 B D S S+ 0 0 145 -77,-0.1 -76,-1.1 2,-0.1 2,-0.3 0.862 122.5 39.6 -59.2 -40.3 -47.0 -25.4 -5.1 110 69 B T B S-C 32 0C 53 -78,-0.2 2,-0.6 -80,-0.0 -2,-0.5 -0.759 91.5-103.6-115.4 156.2 -44.7 -22.3 -4.9 111 70 B V B +b 29 0B 0 -80,-2.4 -81,-3.3 -83,-0.6 2,-0.3 -0.652 57.9 147.3 -78.2 114.6 -41.4 -21.4 -6.4 112 71 B T - 0 0 70 -2,-0.6 -4,-0.1 -83,-0.2 2,-0.1 -0.981 51.4 -92.1-144.5 158.5 -38.7 -21.8 -3.8 113 72 B L - 0 0 90 -2,-0.3 2,-0.2 4,-0.0 -17,-0.0 -0.402 43.3-159.7 -63.4 145.0 -35.0 -22.8 -3.5 114 73 B N > - 0 0 74 -2,-0.1 4,-1.7 1,-0.0 3,-0.1 -0.694 34.1 -95.1-120.6 178.8 -34.4 -26.5 -2.8 115 74 B E H > S+ 0 0 151 1,-0.2 4,-1.6 -2,-0.2 5,-0.2 0.825 122.7 58.6 -68.8 -28.4 -31.5 -28.5 -1.4 116 75 B T H > S+ 0 0 90 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.926 106.1 49.7 -65.1 -39.7 -30.1 -29.2 -4.9 117 76 B D H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.898 105.5 58.7 -59.8 -40.4 -29.9 -25.4 -5.4 118 77 B L H < S+ 0 0 118 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.860 115.0 34.5 -59.0 -37.5 -28.1 -25.2 -2.1 119 78 B T H X S+ 0 0 66 -4,-1.6 4,-0.8 -3,-0.2 -2,-0.2 0.865 121.7 45.8 -88.1 -33.2 -25.4 -27.5 -3.3 120 79 B Q H X S+ 0 0 54 -4,-2.9 4,-2.0 -5,-0.2 3,-0.3 0.881 101.9 60.7 -79.4 -39.7 -25.2 -26.5 -6.9 121 80 B I H X S+ 0 0 11 -4,-2.7 4,-2.0 1,-0.3 5,-0.2 0.931 105.3 48.9 -60.8 -41.1 -25.2 -22.7 -6.7 122 81 B P H > S+ 0 0 71 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.859 109.5 53.9 -60.7 -33.4 -21.9 -22.6 -4.7 123 82 B X H X S+ 0 0 107 -4,-0.8 4,-2.6 -3,-0.3 -2,-0.2 0.860 105.4 53.8 -67.4 -34.5 -20.5 -25.0 -7.3 124 83 B V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.926 109.1 47.9 -62.7 -47.0 -21.5 -22.4 -10.0 125 84 B I H X S+ 0 0 49 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.946 113.5 47.2 -58.9 -48.4 -19.6 -19.7 -8.2 126 85 B E H X S+ 0 0 96 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.917 110.8 52.7 -59.1 -43.9 -16.6 -21.9 -7.8 127 86 B Y H X S+ 0 0 51 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.923 111.9 44.4 -58.8 -47.2 -16.7 -22.9 -11.5 128 87 B b H < S+ 0 0 0 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.834 111.3 53.1 -72.2 -30.6 -16.8 -19.3 -12.7 129 88 B X H < S+ 0 0 146 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.894 115.4 41.5 -66.5 -39.5 -14.1 -18.2 -10.3 130 89 B X H < S+ 0 0 145 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.743 127.1 32.7 -77.3 -27.0 -11.8 -21.0 -11.7 131 90 B N >< + 0 0 46 -4,-1.8 3,-2.1 -5,-0.2 -51,-0.3 -0.471 64.4 159.3-130.7 62.0 -12.8 -20.5 -15.3 132 91 B P T 3 S+ 0 0 43 0, 0.0 -51,-1.8 0, 0.0 -50,-0.2 0.747 75.4 59.7 -59.9 -23.1 -13.5 -16.7 -15.8 133 92 B Q T 3 S+ 0 0 138 -53,-0.2 2,-0.2 -3,-0.1 -5,-0.1 0.603 93.1 81.4 -80.1 -16.6 -13.0 -17.1 -19.5 134 93 B X S < S- 0 0 121 -3,-2.1 -54,-3.2 -6,-0.1 -53,-0.4 -0.487 88.0-101.0 -87.5 164.0 -15.9 -19.6 -19.9 135 94 B N B > -E 79 0E 71 -56,-0.3 3,-1.6 -2,-0.2 4,-0.3 -0.615 23.9-123.5 -84.5 144.2 -19.5 -18.8 -20.2 136 95 B L G > S+ 0 0 0 -58,-2.3 3,-2.0 -2,-0.3 4,-0.2 0.884 108.8 56.9 -47.9 -46.8 -21.8 -19.2 -17.2 137 96 B Y G > S+ 0 0 32 -59,-0.5 3,-1.4 -61,-0.3 -1,-0.3 0.664 87.4 76.3 -71.6 -13.6 -24.2 -21.5 -19.0 138 97 B T G X S+ 0 0 25 -3,-1.6 3,-1.7 1,-0.3 -1,-0.3 0.630 72.7 84.6 -71.4 -9.9 -21.4 -24.0 -19.8 139 98 B F G < S+ 0 0 40 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.872 83.0 60.8 -51.5 -36.4 -21.6 -25.0 -16.1 140 99 B X G < 0 0 109 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.616 360.0 360.0 -70.9 -13.0 -24.4 -27.3 -17.3 141 100 B N < 0 0 173 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.624 360.0 360.0 -96.5 360.0 -22.1 -29.2 -19.6 142 !* 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 0.0 143 32 C E 0 0 145 0, 0.0 2,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 24.1 -22.2 7.8 -23.5 144 33 C S > - 0 0 48 1,-0.1 3,-1.7 88,-0.1 4,-0.2 -0.559 360.0-109.8 -91.2 161.7 -20.3 10.9 -22.3 145 34 C A G > S+ 0 0 14 1,-0.3 3,-1.8 -2,-0.2 62,-0.1 0.859 115.7 62.1 -57.5 -39.6 -21.1 12.7 -19.1 146 35 C X G 3 S+ 0 0 141 1,-0.3 61,-0.3 60,-0.1 -1,-0.3 0.633 98.4 58.7 -62.3 -15.9 -22.5 15.7 -21.0 147 36 C D G < S+ 0 0 64 -3,-1.7 -1,-0.3 83,-0.1 2,-0.2 0.385 76.3 121.3 -95.3 0.9 -25.2 13.5 -22.4 148 37 C M < - 0 0 0 -3,-1.8 58,-2.7 -4,-0.2 59,-0.5 -0.475 54.8-140.7 -70.9 131.3 -26.7 12.4 -19.1 149 38 C T B > -F 205 0F 35 56,-0.3 4,-2.0 -2,-0.2 56,-0.3 -0.455 23.3-111.7 -82.0 163.7 -30.4 13.3 -18.6 150 39 C c H > S+ 0 0 0 54,-3.1 4,-2.6 51,-0.3 5,-0.2 0.880 120.1 55.0 -59.6 -38.1 -31.8 14.5 -15.3 151 40 C Q H > S+ 0 0 42 51,-2.2 4,-1.3 53,-0.3 -1,-0.2 0.916 107.7 49.0 -62.8 -42.7 -33.7 11.2 -15.0 152 41 C E H 4 S+ 0 0 35 50,-0.3 -1,-0.2 1,-0.2 4,-0.2 0.890 110.5 52.3 -61.2 -40.5 -30.4 9.3 -15.4 153 42 C F H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.935 108.5 47.5 -62.6 -46.8 -28.9 11.5 -12.7 154 43 C I H 3< S+ 0 0 27 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.765 111.7 54.4 -67.0 -21.7 -31.6 10.9 -10.2 155 44 C D T 3< S+ 0 0 11 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.394 86.5 116.5 -89.5 -0.0 -31.3 7.2 -10.9 156 45 C L S < S- 0 0 3 -3,-1.6 5,-0.1 -4,-0.2 -147,-0.1 -0.249 84.4 -87.0 -66.4 155.7 -27.5 7.1 -10.2 157 46 C N >> - 0 0 2 1,-0.2 3,-2.5 -148,-0.1 4,-0.6 -0.449 43.8-125.3 -48.1 126.2 -25.9 5.1 -7.5 158 47 C P H >> S+ 0 0 46 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.796 110.0 63.3 -53.9 -28.2 -26.1 7.7 -4.7 159 48 C X H 34 S+ 0 0 51 1,-0.2 60,-0.2 2,-0.1 59,-0.1 0.582 103.6 49.1 -72.3 -11.3 -22.3 7.4 -4.3 160 49 C A H <> S+ 0 0 0 -3,-2.5 4,-2.2 2,-0.1 -1,-0.2 0.543 88.0 84.2 -98.1 -13.3 -21.9 8.8 -7.8 161 50 C M H S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.894 116.4 48.6 -62.0 -39.2 -18.8 13.5 -8.4 164 53 C V H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.946 115.2 43.2 -67.4 -45.2 -21.2 13.7 -11.3 165 54 C A H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.916 114.3 51.4 -65.5 -42.0 -22.8 16.9 -10.1 166 55 C W H X S+ 0 0 4 -4,-2.9 4,-2.1 -5,-0.3 5,-0.3 0.922 109.8 49.6 -60.1 -43.6 -19.4 18.4 -9.3 167 56 C W H X S+ 0 0 4 -4,-2.3 4,-3.0 -5,-0.2 -1,-0.2 0.931 110.4 50.1 -64.5 -43.1 -18.0 17.6 -12.7 168 57 C M H < S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.908 115.5 43.7 -59.1 -40.2 -21.0 19.1 -14.4 169 58 C L H < S+ 0 0 20 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.792 128.1 25.1 -76.0 -28.2 -20.6 22.3 -12.3 170 59 C H H >< S+ 0 0 32 -4,-2.1 3,-2.2 -5,-0.2 82,-0.5 0.686 82.0 114.0-115.5 -25.1 -16.8 22.6 -12.6 171 60 C E T 3< S+ 0 0 38 -4,-3.0 82,-0.2 -5,-0.3 3,-0.1 -0.273 94.5 5.7 -58.4 137.3 -15.5 20.9 -15.8 172 61 C E T 3 S+ 0 0 143 80,-3.8 -1,-0.3 1,-0.2 2,-0.2 0.555 106.0 117.5 63.1 14.1 -14.0 23.4 -18.2 173 62 C T S < S- 0 0 37 -3,-2.2 79,-2.1 79,-0.2 -1,-0.2 -0.681 79.0 -87.7-100.6 160.9 -14.5 26.3 -15.7 174 63 C V B -G 251 0G 95 -2,-0.2 2,-0.4 77,-0.2 77,-0.3 -0.513 45.8-118.3 -66.9 130.3 -11.7 28.3 -14.2 175 64 C Y + 0 0 52 75,-2.6 -1,-0.1 -2,-0.2 -5,-0.0 -0.617 40.5 167.7 -73.6 125.6 -10.3 26.6 -11.1 176 65 C X + 0 0 189 -2,-0.4 -1,-0.1 -3,-0.0 -2,-0.0 0.282 38.0 103.6-124.6 7.3 -10.9 28.9 -8.0 177 66 C G S S- 0 0 38 1,-0.2 4,-0.1 2,-0.1 2,-0.0 0.045 78.6 -87.6 -74.0-173.7 -10.2 26.6 -5.0 178 67 C G - 0 0 53 2,-0.4 -1,-0.2 4,-0.0 68,-0.1 -0.031 66.9 -71.1 -73.0-163.6 -7.2 26.4 -2.8 179 68 C D S S+ 0 0 139 66,-0.1 67,-2.8 2,-0.1 2,-0.4 0.707 116.9 68.6 -71.0 -20.6 -4.3 24.2 -3.9 180 69 C T B S-H 245 0H 49 65,-0.3 2,-0.4 63,-0.0 -2,-0.4 -0.833 89.6-113.7-105.2 137.7 -6.2 21.0 -3.2 181 70 C V + 0 0 0 63,-2.7 62,-3.1 60,-0.4 2,-0.3 -0.557 58.6 143.0 -68.5 120.8 -9.3 19.7 -5.1 182 71 C T - 0 0 64 -2,-0.4 2,-0.1 60,-0.2 -4,-0.0 -0.991 56.9 -90.4-153.3 156.5 -12.2 19.9 -2.7 183 72 C L - 0 0 67 -2,-0.3 2,-0.2 4,-0.1 -17,-0.0 -0.479 49.4-160.3 -57.7 141.8 -15.9 20.5 -2.3 184 73 C N > - 0 0 63 -2,-0.1 4,-1.4 -7,-0.0 3,-0.1 -0.678 33.6 -90.2-120.9-179.2 -16.4 24.2 -1.4 185 74 C E H > S+ 0 0 174 1,-0.2 4,-0.9 -2,-0.2 5,-0.2 0.872 124.7 53.6 -63.1 -37.7 -19.1 26.3 0.2 186 75 C T H >> S+ 0 0 89 1,-0.2 4,-2.9 2,-0.2 3,-0.9 0.909 104.9 55.5 -65.5 -38.2 -20.8 27.1 -3.2 187 76 C D H 3> S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.868 98.7 62.7 -58.2 -36.2 -20.9 23.3 -3.9 188 77 C L H 3< S+ 0 0 117 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.806 114.8 31.2 -64.4 -29.5 -22.8 22.8 -0.7 189 78 C T H S+ 0 0 65 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.884 110.3 54.1 -56.8 -36.0 -28.6 20.1 -3.6 193 82 C X H X S+ 0 0 127 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.867 104.4 54.2 -65.3 -36.3 -30.1 22.5 -6.2 194 83 C V H X S+ 0 0 0 -4,-2.2 4,-2.4 -3,-0.2 -1,-0.2 0.932 108.3 50.4 -61.6 -43.9 -29.0 20.2 -9.1 195 84 C I H X S+ 0 0 47 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.943 113.3 43.7 -59.7 -48.7 -30.8 17.3 -7.4 196 85 C E H X S+ 0 0 127 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.892 112.3 53.7 -66.5 -39.4 -34.1 19.3 -7.0 197 86 C Y H X S+ 0 0 34 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.896 109.4 48.0 -58.3 -44.1 -33.8 20.7 -10.6 198 87 C c H < S+ 0 0 1 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.836 108.5 53.5 -73.5 -30.8 -33.5 17.2 -12.0 199 88 C X H < S+ 0 0 125 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.871 114.5 42.9 -65.0 -37.2 -36.4 15.9 -10.0 200 89 C X H < S+ 0 0 174 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.773 126.7 32.0 -75.8 -29.0 -38.5 18.8 -11.4 201 90 C N >< + 0 0 41 -4,-1.7 3,-1.7 -5,-0.2 -51,-0.3 -0.420 67.4 158.8-130.2 56.2 -37.1 18.4 -15.0 202 91 C P T 3 S+ 0 0 42 0, 0.0 -51,-2.2 0, 0.0 -50,-0.3 0.764 74.5 52.0 -58.2 -29.0 -36.4 14.7 -15.5 203 92 C Q T 3 S+ 0 0 187 -53,-0.2 2,-0.1 -54,-0.1 3,-0.1 0.637 92.7 89.8 -84.5 -13.3 -36.5 14.8 -19.3 204 93 C X S < S- 0 0 104 -3,-1.7 -54,-3.1 -6,-0.1 -53,-0.3 -0.440 90.0 -97.8 -78.2 156.0 -34.0 17.7 -19.6 205 94 C N B > -F 149 0F 74 -56,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.520 28.2-122.6 -70.9 141.9 -30.3 17.1 -19.8 206 95 C L G > S+ 0 0 0 -58,-2.7 3,-1.9 1,-0.3 4,-0.2 0.874 109.9 60.7 -48.8 -42.5 -28.4 17.4 -16.6 207 96 C Y G > S+ 0 0 45 -59,-0.5 3,-1.5 -61,-0.3 -1,-0.3 0.646 83.6 78.1 -71.6 -12.7 -26.1 20.1 -18.0 208 97 C T G X S+ 0 0 35 -3,-1.7 3,-1.4 1,-0.3 -1,-0.3 0.662 72.0 83.7 -68.1 -13.2 -29.1 22.4 -18.7 209 98 C F G X S+ 0 0 24 -3,-1.9 3,-1.4 -4,-0.3 -1,-0.3 0.870 84.4 59.6 -49.8 -37.2 -28.9 23.2 -14.9 210 99 C X G < S+ 0 0 121 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.683 93.3 62.9 -69.9 -21.0 -26.2 25.7 -16.0 211 100 C N G < 0 0 133 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.304 360.0 360.0 -84.5 8.5 -28.6 27.6 -18.2 212 101 C Q < 0 0 197 -3,-1.4 -1,-0.3 -4,-0.1 0, 0.0 -0.731 360.0 360.0 83.7 360.0 -30.7 28.5 -15.1 213 !* 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 0.0 214 32 D E 0 0 121 0, 0.0 2,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 20.8 -23.2 6.8 0.8 215 33 D S > - 0 0 73 1,-0.1 3,-1.8 -54,-0.1 4,-0.3 -0.474 360.0-102.1 -91.4 164.8 -20.2 8.9 -0.2 216 34 D A G > S+ 0 0 9 1,-0.3 3,-1.7 2,-0.2 62,-0.1 0.871 120.4 59.4 -53.9 -38.5 -18.1 8.5 -3.2 217 35 D X G 3 S+ 0 0 139 1,-0.3 61,-0.3 60,-0.1 -1,-0.3 0.635 96.8 62.5 -71.1 -11.2 -15.3 6.8 -1.2 218 36 D D G < S+ 0 0 68 -3,-1.8 -1,-0.3 -59,-0.1 2,-0.2 0.445 76.6 119.0 -87.6 -5.2 -17.7 4.1 -0.1 219 37 D M < - 0 0 0 -3,-1.7 58,-2.6 -4,-0.3 59,-0.5 -0.440 55.8-143.1 -68.6 130.7 -18.2 2.8 -3.6 220 38 D T B > -I 276 0I 36 56,-0.3 4,-2.1 -2,-0.2 56,-0.3 -0.493 24.6-110.8 -83.5 162.9 -17.2 -0.8 -4.3 221 39 D d H > S+ 0 0 0 54,-3.0 4,-2.7 51,-0.3 5,-0.2 0.893 120.0 54.6 -58.0 -40.1 -15.6 -1.9 -7.6 222 40 D Q H > S+ 0 0 15 51,-2.1 4,-1.9 53,-0.3 -1,-0.2 0.927 107.4 50.3 -60.7 -44.4 -18.8 -3.9 -8.4 223 41 D E H 4 S+ 0 0 13 50,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.902 110.6 49.7 -59.8 -40.1 -20.8 -0.7 -8.0 224 42 D F H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.933 108.3 52.2 -63.1 -47.3 -18.4 1.2 -10.3 225 43 D I H 3< S+ 0 0 27 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.864 112.2 48.3 -51.2 -40.8 -18.6 -1.5 -13.0 226 44 D D T 3< S+ 0 0 15 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.459 85.8 121.3 -87.8 -3.2 -22.4 -1.2 -12.8 227 45 D L S < S- 0 0 4 -3,-1.4 5,-0.1 -4,-0.4 -71,-0.1 -0.210 82.2 -90.3 -58.3 148.3 -22.5 2.6 -13.0 228 46 D N > - 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