==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 28-JAN-10 2X48 . COMPND 2 MOLECULE: CAG38821; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS ISLANDICUS ROD-SHAPED VIRUS . AUTHOR M.OKE,L.CARTER,K.A.JOHNSON,H.LIU,S.MCMAHON,J.H.NAISMITH,M.F. . 162 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 74.7 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 . 26 16.0 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 . 3 1.9 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 . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 43.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.7 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 0 0 0 5 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 0 3 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 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 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 M 0 0 141 0, 0.0 2,-0.4 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 66.0 -15.3 -4.7 38.9 2 2 A K + 0 0 187 13,-0.1 2,-0.3 11,-0.0 13,-0.2 -0.587 360.0 153.7 -72.7 128.6 -11.6 -4.0 39.4 3 3 A K E -A 14 0A 79 11,-2.0 11,-3.2 -2,-0.4 2,-0.5 -0.994 38.4-138.6-164.9 138.4 -10.9 -4.9 43.0 4 4 A E E -A 13 0A 94 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.941 14.4-156.5-117.7 123.1 -8.1 -6.0 45.4 5 5 A I E -A 12 0A 10 7,-2.9 7,-2.6 -2,-0.5 2,-0.6 -0.830 5.3-156.9-104.8 122.7 -8.6 -8.7 48.1 6 6 A Q E +A 11 0A 128 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.872 19.2 165.1-106.7 115.5 -6.3 -8.8 51.2 7 7 A V E > -A 10 0A 15 3,-2.4 3,-2.2 -2,-0.6 -2,-0.0 -0.976 66.6 -56.3-124.8 114.7 -5.9 -12.0 53.1 8 8 A Q T 3 S- 0 0 155 -2,-0.4 87,-0.1 1,-0.3 0, 0.0 -0.312 120.8 -16.0 52.3-125.3 -2.9 -12.1 55.5 9 9 A G T 3 S+ 0 0 28 85,-0.2 52,-2.5 -3,-0.1 2,-0.4 0.476 122.3 84.6 -87.0 -2.5 0.3 -11.4 53.4 10 10 A V E < -AB 7 60A 2 -3,-2.2 -3,-2.4 50,-0.2 2,-0.4 -0.808 55.0-165.4-107.0 139.5 -1.3 -12.1 50.0 11 11 A R E -AB 6 59A 37 48,-1.6 48,-1.5 -2,-0.4 2,-0.5 -0.989 8.9-155.6-123.2 123.5 -3.3 -9.7 47.9 12 12 A Y E -AB 5 58A 0 -7,-2.6 -7,-2.9 -2,-0.4 2,-0.7 -0.850 9.4-142.9-101.4 125.3 -5.4 -11.0 45.0 13 13 A Y E -A 4 0A 69 44,-1.6 44,-0.5 -2,-0.5 2,-0.4 -0.802 20.8-163.5 -88.8 114.3 -6.2 -8.7 42.1 14 14 A V E +A 3 0A 2 -11,-3.2 -11,-2.0 -2,-0.7 3,-0.1 -0.862 27.6 155.1-106.2 129.6 -9.8 -9.5 40.9 15 15 A E + 0 0 114 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.410 68.3 7.7-127.9 -6.9 -11.0 -8.3 37.5 16 16 A S S > S- 0 0 43 -15,-0.1 4,-1.1 1,-0.1 3,-0.4 -0.945 82.5 -90.8-167.6 170.9 -13.8 -10.9 36.7 17 17 A E H > S+ 0 0 93 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.834 120.1 63.0 -70.7 -32.2 -15.8 -13.8 38.2 18 18 A D H > S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.842 102.9 51.5 -58.8 -32.7 -13.2 -16.3 36.9 19 19 A D H > S+ 0 0 23 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.847 105.3 54.4 -71.1 -36.7 -10.7 -14.6 39.2 20 20 A L H X S+ 0 0 5 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.923 106.9 51.4 -63.4 -44.0 -13.1 -14.9 42.2 21 21 A V H X S+ 0 0 27 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.952 109.3 50.8 -55.7 -49.6 -13.3 -18.6 41.6 22 22 A S H X S+ 0 0 45 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.886 112.1 45.7 -56.5 -44.6 -9.5 -18.8 41.6 23 23 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.916 110.4 54.4 -65.3 -42.7 -9.2 -16.9 44.9 24 24 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.936 108.3 50.0 -54.0 -49.4 -12.0 -19.0 46.4 25 25 A H H X S+ 0 0 46 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.879 111.8 47.8 -57.6 -43.6 -10.0 -22.2 45.4 26 26 A E H X S+ 0 0 27 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.897 111.4 49.1 -64.9 -42.7 -6.8 -20.8 47.0 27 27 A L H <>S+ 0 0 2 -4,-2.7 5,-2.4 2,-0.2 -2,-0.2 0.891 109.4 52.2 -69.7 -36.6 -8.5 -19.7 50.3 28 28 A A H ><5S+ 0 0 39 -4,-2.3 3,-2.1 -5,-0.2 -1,-0.2 0.944 108.4 50.4 -60.4 -49.4 -10.1 -23.1 50.7 29 29 A K H 3<5S+ 0 0 161 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.815 106.4 56.6 -58.1 -32.0 -6.8 -24.9 50.2 30 30 A M T 3<5S- 0 0 58 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.381 125.6-105.7 -80.4 -0.0 -5.4 -22.5 52.9 31 31 A G T < 5 + 0 0 60 -3,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.701 65.9 152.3 87.2 22.1 -8.2 -23.8 55.2 32 32 A Y < - 0 0 65 -5,-2.4 -1,-0.3 1,-0.1 2,-0.1 -0.586 43.6-118.7 -81.3 145.5 -10.6 -20.9 55.3 33 33 A T > - 0 0 68 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.324 22.9-109.0 -77.1 167.0 -14.3 -21.8 55.9 34 34 A V H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.878 122.2 53.9 -62.2 -40.5 -17.1 -21.1 53.4 35 35 A Q H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.938 111.4 45.8 -56.5 -46.1 -18.3 -18.3 55.7 36 36 A Q H > S+ 0 0 100 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.803 111.0 51.1 -72.1 -33.0 -14.9 -16.8 55.7 37 37 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 6,-0.2 0.894 108.5 53.5 -69.6 -38.4 -14.4 -17.0 51.9 38 38 A A H X>S+ 0 0 5 -4,-2.2 4,-1.5 1,-0.2 5,-1.5 0.893 111.1 44.3 -64.3 -43.7 -17.8 -15.3 51.3 39 39 A N H <5S+ 0 0 123 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.880 112.1 53.2 -67.8 -37.8 -16.9 -12.3 53.5 40 40 A A H <5S+ 0 0 39 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.847 119.1 33.8 -65.1 -34.8 -13.4 -12.0 51.9 41 41 A L H <5S- 0 0 1 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.559 105.8-119.7 -99.9 -15.3 -14.8 -12.0 48.4 42 42 A G T <5S+ 0 0 63 -4,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.801 75.1 110.7 77.5 29.7 -18.1 -10.1 48.9 43 43 A V S - 0 0 61 -2,-0.2 4,-1.9 -3,-0.1 5,-0.1 -0.432 33.1-112.3 -85.7 164.5 -22.8 -15.3 49.3 45 45 A E H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.820 118.0 58.6 -64.8 -30.8 -22.0 -18.7 50.8 46 46 A R H > S+ 0 0 171 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 104.9 48.2 -64.1 -46.9 -24.0 -20.3 48.0 47 47 A K H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.920 111.8 50.8 -57.4 -46.1 -21.8 -18.7 45.3 48 48 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.891 107.4 52.6 -61.1 -41.4 -18.7 -19.9 47.2 49 49 A R H X S+ 0 0 125 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.935 110.8 48.2 -61.1 -44.8 -20.1 -23.5 47.4 50 50 A R H >< S+ 0 0 146 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.889 111.0 51.9 -56.2 -43.9 -20.6 -23.4 43.6 51 51 A Y H >< S+ 0 0 12 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.909 106.2 52.2 -62.7 -42.3 -17.1 -22.1 43.2 52 52 A L H 3< S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.602 98.1 65.4 -76.0 -11.7 -15.5 -24.8 45.3 53 53 A E T << 0 0 162 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.1 0.219 360.0 360.0 -90.4 15.6 -17.2 -27.6 43.3 54 54 A S < 0 0 106 -3,-1.3 -3,-0.0 -33,-0.1 -4,-0.0 -0.807 360.0 360.0-112.2 360.0 -15.1 -26.6 40.2 55 !* 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 56 1 B M 0 0 88 0, 0.0 -42,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 83.2 -5.1 -13.8 38.5 57 2 B K - 0 0 98 -44,-0.5 -44,-1.6 11,-0.0 2,-0.3 -0.420 360.0-159.2 -71.0 156.0 -2.2 -11.5 39.5 58 3 B K E -BC 12 69A 7 11,-2.4 11,-3.0 -46,-0.2 2,-0.4 -0.981 13.3-155.7-146.1 146.4 -0.9 -12.0 43.0 59 4 B E E -BC 11 68A 3 -48,-1.5 -48,-1.6 -2,-0.3 2,-0.5 -0.923 9.6-164.5-135.1 108.4 1.1 -9.9 45.5 60 5 B I E -BC 10 67A 0 7,-2.6 7,-3.2 -2,-0.4 2,-0.7 -0.828 3.5-159.2-102.8 121.8 3.1 -11.6 48.3 61 6 B Q E + C 0 66A 52 -52,-2.5 2,-0.5 -2,-0.5 5,-0.2 -0.880 18.4 165.0-104.8 110.8 4.3 -9.5 51.2 62 7 B V E > - C 0 65A 12 3,-2.1 3,-2.0 -2,-0.7 -2,-0.0 -0.983 66.8 -49.8-121.7 117.5 7.3 -10.9 53.2 63 8 B Q T 3 S- 0 0 148 -2,-0.5 87,-0.0 1,-0.2 0, 0.0 -0.343 121.0 -21.4 56.5-133.4 9.0 -8.4 55.5 64 9 B G T 3 S+ 0 0 29 -3,-0.1 52,-3.1 2,-0.0 2,-0.4 0.095 120.5 90.7 -94.8 23.2 9.8 -5.2 53.5 65 10 B V E < -CD 62 115A 3 -3,-2.0 -3,-2.1 50,-0.2 2,-0.5 -0.963 56.7-160.9-120.7 136.1 9.7 -6.9 50.1 66 11 B R E -CD 61 114A 17 48,-1.8 48,-2.0 -2,-0.4 2,-0.4 -0.957 9.4-155.8-119.3 113.9 6.6 -7.3 47.9 67 12 B Y E -CD 60 113A 8 -7,-3.2 -7,-2.6 -2,-0.5 2,-0.8 -0.754 5.4-149.0 -93.7 129.7 6.6 -9.9 45.2 68 13 B Y E -C 59 0A 55 44,-1.8 2,-0.5 -2,-0.4 -9,-0.2 -0.881 20.4-169.7 -98.2 108.4 4.4 -9.5 42.2 69 14 B V E +C 58 0A 5 -11,-3.0 -11,-2.4 -2,-0.8 3,-0.1 -0.876 25.8 153.0-107.4 130.2 3.4 -13.0 41.0 70 15 B E + 0 0 133 -2,-0.5 2,-0.2 -13,-0.2 -1,-0.1 0.583 66.1 23.3-121.8 -25.7 1.7 -13.7 37.7 71 16 B S S > S- 0 0 51 1,-0.1 4,-1.8 -13,-0.1 -1,-0.2 -0.808 82.8 -99.1-137.0 173.0 2.7 -17.3 36.8 72 17 B E H > S+ 0 0 120 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.900 122.0 59.1 -62.0 -40.9 4.0 -20.5 38.3 73 18 B D H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 104.0 51.3 -57.1 -38.2 7.5 -19.5 37.2 74 19 B D H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.933 108.1 51.4 -63.0 -46.0 7.1 -16.4 39.4 75 20 B L H X S+ 0 0 16 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.878 107.7 54.0 -57.7 -38.4 6.0 -18.5 42.3 76 21 B V H X S+ 0 0 25 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.912 107.8 49.1 -63.1 -42.1 9.1 -20.6 41.8 77 22 B S H X S+ 0 0 70 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.884 111.6 48.5 -66.9 -39.9 11.5 -17.6 41.9 78 23 B V H X S+ 0 0 8 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.942 110.2 51.9 -64.9 -47.0 9.9 -16.3 45.1 79 24 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.917 108.5 50.9 -53.5 -47.6 10.2 -19.7 46.7 80 25 B H H X S+ 0 0 69 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.870 112.3 48.2 -59.5 -36.8 13.9 -19.9 45.8 81 26 B E H X S+ 0 0 36 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.909 110.5 47.5 -71.3 -47.1 14.4 -16.4 47.4 82 27 B L H <>S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 4,-0.2 0.911 111.3 53.3 -62.5 -39.3 12.6 -17.1 50.7 83 28 B A H ><5S+ 0 0 37 -4,-2.4 3,-1.7 -5,-0.3 -2,-0.2 0.943 109.1 48.4 -58.4 -47.3 14.6 -20.4 50.9 84 29 B K H 3<5S+ 0 0 158 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.857 106.2 58.0 -59.3 -35.7 17.8 -18.4 50.5 85 30 B M T 3<5S- 0 0 61 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.399 126.3-102.5 -76.8 1.3 16.6 -16.0 53.2 86 31 B G T < 5 + 0 0 62 -3,-1.7 -3,-0.2 1,-0.3 2,-0.1 0.568 69.2 149.9 91.5 12.5 16.3 -19.0 55.6 87 32 B Y < - 0 0 56 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.1 -0.488 43.3-122.0 -76.9 146.9 12.5 -19.6 55.6 88 33 B T > - 0 0 75 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.379 26.3-105.1 -81.8 167.0 11.3 -23.2 56.1 89 34 B V H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.880 123.9 52.0 -57.3 -40.0 9.2 -25.2 53.6 90 35 B Q H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.962 110.9 46.1 -58.6 -54.2 6.2 -24.6 56.0 91 36 B Q H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.843 112.8 49.7 -63.3 -36.8 6.8 -20.8 56.2 92 37 B I H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.934 109.1 52.5 -65.6 -47.9 7.2 -20.5 52.4 93 38 B A H X>S+ 0 0 4 -4,-2.5 4,-2.0 1,-0.2 5,-1.8 0.931 112.6 44.8 -50.6 -52.0 4.0 -22.5 51.7 94 39 B N H <5S+ 0 0 104 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.891 113.3 50.4 -62.5 -42.0 2.1 -20.1 54.0 95 40 B A H <5S+ 0 0 27 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.854 117.9 38.7 -64.0 -37.2 3.7 -17.0 52.5 96 41 B L H <5S- 0 0 0 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.695 106.3-122.3 -89.9 -21.6 2.9 -18.1 49.0 97 42 B G T <5S+ 0 0 7 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.804 73.5 111.2 81.5 31.9 -0.6 -19.6 49.6 98 43 B V S - 0 0 38 -2,-0.3 4,-1.7 1,-0.1 3,-0.2 -0.302 35.3-114.7 -71.7 156.5 0.7 -26.5 49.8 100 45 B E H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.820 116.1 59.2 -57.4 -32.5 4.1 -27.6 51.2 101 46 B R H > S+ 0 0 164 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.925 103.2 49.4 -65.2 -46.3 4.2 -30.3 48.4 102 47 B K H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 110.8 51.8 -60.6 -38.8 4.1 -27.6 45.7 103 48 B V H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.924 105.1 55.0 -62.9 -44.0 6.9 -25.7 47.5 104 49 B R H X S+ 0 0 140 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.894 110.6 46.0 -56.1 -42.2 9.1 -28.9 47.7 105 50 B R H < S+ 0 0 147 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.902 111.0 52.8 -65.4 -44.9 8.8 -29.3 43.9 106 51 B Y H >< S+ 0 0 18 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.928 107.6 52.2 -56.1 -46.6 9.5 -25.6 43.3 107 52 B L H 3< S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.825 102.4 55.6 -67.1 -34.8 12.7 -25.7 45.3 108 53 B E T 3< 0 0 170 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.1 0.308 360.0 360.0 -83.1 15.1 14.4 -28.7 43.6 109 54 B S < 0 0 107 -3,-1.4 -3,-0.0 -4,-0.1 -4,-0.0 -0.753 360.0 360.0 -98.0 360.0 14.1 -26.9 40.2 110 !* 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 0.0 111 1 C M 0 0 103 0, 0.0 14,-0.1 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 -77.0 11.6 -10.7 38.6 112 2 C K + 0 0 61 12,-0.4 -44,-1.8 1,-0.1 2,-0.3 0.927 360.0 143.7 74.5 93.7 9.3 -7.7 39.4 113 3 C K E -DE 67 124A 2 11,-3.1 11,-3.2 -46,-0.2 2,-0.5 -0.944 43.1-122.4-152.4 172.1 9.2 -6.7 43.1 114 4 C E E -DE 66 123A 4 -48,-2.0 -48,-1.8 -2,-0.3 2,-0.6 -0.953 15.0-157.8-130.0 111.2 9.0 -3.8 45.5 115 5 C I E -DE 65 122A 0 7,-2.7 7,-3.3 -2,-0.5 2,-0.6 -0.810 11.4-161.6 -91.4 115.9 11.7 -3.0 48.2 116 6 C Q E + E 0 121A 70 -52,-3.1 2,-0.4 -2,-0.6 5,-0.2 -0.889 16.4 167.8-104.1 123.4 10.4 -0.8 51.0 117 7 C V E > - E 0 120A 16 3,-2.7 3,-2.1 -2,-0.6 2,-0.3 -0.935 61.0 -65.8-135.5 106.3 12.8 1.0 53.3 118 8 C Q T 3 S+ 0 0 166 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.320 123.0 0.9 49.9-109.5 11.5 3.7 55.6 119 9 C G T 3 S+ 0 0 79 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.567 123.3 68.5 -85.8 -8.7 10.1 6.5 53.4 120 10 C V E < -E 117 0A 52 -3,-2.1 -3,-2.7 2,-0.0 2,-0.5 -0.879 54.8-161.7-123.3 142.0 10.9 5.0 50.0 121 11 C R E -E 116 0A 110 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.991 15.7-154.1-118.9 121.6 9.6 2.1 47.9 122 12 C Y E -E 115 0A 22 -7,-3.3 -7,-2.7 -2,-0.5 2,-0.7 -0.838 6.2-146.1 -99.0 126.6 11.9 0.9 45.1 123 13 C Y E -E 114 0A 135 -2,-0.5 2,-0.5 -9,-0.2 -9,-0.2 -0.842 21.0-170.5 -93.3 112.6 10.3 -0.9 42.1 124 14 C V E +E 113 0A 1 -11,-3.2 -11,-3.1 -2,-0.7 -12,-0.4 -0.915 24.3 157.2-115.1 122.5 12.8 -3.5 40.9 125 15 C E + 0 0 119 -2,-0.5 2,-0.3 -13,-0.2 -1,-0.1 0.530 66.7 21.5-117.2 -15.3 12.3 -5.4 37.6 126 16 C S S >> S- 0 0 48 -15,-0.1 4,-1.7 1,-0.1 3,-0.6 -0.913 82.3 -98.3-150.0 169.9 15.8 -6.5 36.8 127 17 C E H 3> S+ 0 0 96 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.882 121.6 58.3 -63.8 -35.8 19.3 -7.1 38.2 128 18 C D H 3> S+ 0 0 124 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.778 102.6 53.5 -64.5 -27.4 20.3 -3.6 37.0 129 19 C D H <> S+ 0 0 54 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.910 105.5 53.9 -69.8 -43.1 17.5 -2.1 39.1 130 20 C L H X S+ 0 0 5 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.883 104.9 54.5 -56.5 -41.2 18.9 -4.0 42.2 131 21 C V H X S+ 0 0 18 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.920 107.6 50.0 -60.5 -43.2 22.3 -2.5 41.6 132 22 C S H X S+ 0 0 78 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.910 110.3 48.7 -60.5 -44.5 20.8 1.0 41.6 133 23 C V H X S+ 0 0 8 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.914 109.4 54.5 -65.1 -39.3 18.9 0.4 44.9 134 24 C A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.879 107.6 49.0 -59.6 -43.8 22.1 -1.0 46.5 135 25 C H H X S+ 0 0 52 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.929 113.0 46.6 -63.8 -46.1 24.1 2.1 45.6 136 26 C E H X S+ 0 0 91 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.901 111.3 51.1 -65.1 -41.6 21.4 4.5 47.0 137 27 C L H <>S+ 0 0 2 -4,-2.7 5,-2.1 1,-0.2 -1,-0.2 0.882 108.7 52.0 -64.5 -38.7 21.0 2.4 50.2 138 28 C A H ><5S+ 0 0 41 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.892 108.4 51.6 -60.6 -41.1 24.8 2.5 50.7 139 29 C K H 3<5S+ 0 0 170 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.878 103.4 58.3 -62.2 -37.1 24.7 6.3 50.3 140 30 C M T 3<5S- 0 0 95 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.332 125.9-102.5 -76.3 5.0 21.9 6.4 53.0 141 31 C G T < 5 + 0 0 62 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.564 68.9 150.3 89.8 11.5 24.4 4.7 55.4 142 32 C Y < - 0 0 78 -5,-2.1 -1,-0.2 1,-0.1 2,-0.0 -0.506 42.8-120.6 -79.0 143.4 23.2 1.1 55.4 143 33 C T > - 0 0 67 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.286 24.8-107.0 -77.1 167.5 25.7 -1.7 55.9 144 34 C V H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.887 123.3 50.4 -60.5 -41.5 26.4 -4.6 53.5 145 35 C Q H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.937 111.2 48.4 -58.8 -48.4 24.5 -6.9 55.8 146 36 C Q H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.869 111.6 48.3 -65.3 -39.7 21.6 -4.6 56.0 147 37 C I H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 6,-0.3 0.919 106.2 59.2 -64.5 -43.7 21.4 -4.1 52.2 148 38 C A H X>S+ 0 0 6 -4,-2.4 5,-1.2 1,-0.2 4,-1.1 0.905 110.2 42.2 -48.4 -49.0 21.6 -7.9 51.7 149 39 C N H <5S+ 0 0 112 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.898 111.2 54.7 -65.5 -44.3 18.4 -8.3 53.8 150 40 C A H <5S+ 0 0 22 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.852 116.1 37.4 -60.2 -37.1 16.6 -5.3 52.1 151 41 C L H <5S- 0 0 0 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.586 104.9-121.9 -95.1 -14.2 17.1 -6.7 48.6 152 42 C G T <5S+ 0 0 5 -4,-1.1 2,-0.2 1,-0.3 -3,-0.2 0.619 75.2 107.2 82.7 15.6 16.7 -10.4 49.3 153 43 C V S - 0 0 41 -2,-0.2 4,-1.6 -3,-0.1 -1,-0.1 -0.327 33.1-114.6 -80.8 166.2 23.4 -12.5 49.6 155 45 C E H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.812 116.4 60.0 -71.4 -30.3 26.1 -10.2 50.9 156 46 C R H > S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.973 105.1 46.5 -56.5 -57.8 28.4 -11.5 48.1 157 47 C K H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.864 110.3 54.6 -54.3 -41.7 26.0 -10.3 45.3 158 48 C V H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.907 106.1 50.4 -61.1 -45.3 25.7 -6.9 47.1 159 49 C R H X S+ 0 0 132 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.894 111.7 48.3 -60.3 -39.7 29.5 -6.4 47.1 160 50 C R H X S+ 0 0 119 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.862 111.1 52.3 -65.6 -37.4 29.5 -7.2 43.4 161 51 C Y H >< S+ 0 0 2 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.891 108.3 48.6 -63.7 -42.9 26.6 -4.7 43.0 162 52 C L H 3< S+ 0 0 57 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.667 100.6 68.2 -73.5 -15.4 28.5 -2.0 44.8 163 53 C E H 3< 0 0 162 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.813 360.0 360.0 -66.5 -30.9 31.5 -2.8 42.5 164 54 C S << 0 0 100 -3,-0.8 -3,-0.1 -4,-0.7 0, 0.0 0.226 360.0 360.0 -82.1 360.0 29.4 -1.4 39.6