==== 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 VIRAL PROTEIN 29-NOV-06 2O1J . COMPND 2 MOLECULE: NONSTRUCTURAL PROTEIN NSP4; . SOURCE 2 ORGANISM_SCIENTIFIC: ROTAVIRUS STR.; . AUTHOR K.SUGUNA,C.DURGA RAO,R.DEEPA . 174 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9747.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 93.7 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 81.6 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 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 4 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 95 A I 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -91.9 41.6 92.9 23.2 2 96 A E > + 0 0 55 2,-0.1 4,-0.5 3,-0.1 5,-0.2 0.647 360.0 70.6-100.2 -27.1 43.0 94.9 26.1 3 97 A T H >> S+ 0 0 87 1,-0.2 3,-1.6 2,-0.2 4,-1.2 0.975 108.7 30.3 -52.3 -68.6 45.8 96.5 24.0 4 98 A Q H 34 S+ 0 0 39 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.755 110.0 76.2 -62.0 -19.7 43.7 98.8 21.9 5 99 A M H 34 S+ 0 0 22 1,-0.2 4,-0.4 3,-0.1 -1,-0.3 0.585 102.1 35.3 -77.0 -8.1 41.4 99.0 24.9 6 100 A D H S+ 0 0 5 -2,-1.0 4,-2.4 -3,-0.1 -2,-0.2 0.438 105.6 43.0-144.6 -59.3 41.5 104.4 24.9 9 103 A V H > S+ 0 0 50 -4,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.776 113.6 59.7 -68.9 -25.6 41.6 105.1 28.6 10 104 A K H X S+ 0 0 60 -4,-3.2 4,-1.9 2,-0.2 -1,-0.2 0.938 106.7 44.6 -61.2 -48.5 45.0 106.7 27.6 11 105 A E H > S+ 0 0 31 -5,-0.3 4,-3.0 1,-0.2 -2,-0.2 0.929 111.8 52.3 -65.6 -44.4 43.1 109.1 25.3 12 106 A M H X S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.3 5,-0.3 0.918 106.1 51.6 -61.1 -46.6 40.5 109.9 27.8 13 107 A R H X S+ 0 0 59 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.920 116.0 43.8 -53.5 -45.7 42.9 110.8 30.6 14 108 A R H X S+ 0 0 41 -4,-1.9 4,-1.7 2,-0.2 -2,-0.3 0.850 111.4 54.4 -66.1 -36.4 44.5 113.1 28.1 15 109 A Q H X S+ 0 0 2 -4,-3.0 4,-2.7 1,-0.2 3,-0.3 0.961 109.4 46.6 -62.3 -49.3 41.1 114.4 26.9 16 110 A L H X S+ 0 0 36 -4,-2.9 4,-1.3 1,-0.3 -1,-0.2 0.761 105.0 60.2 -72.0 -27.1 40.0 115.4 30.4 17 111 A E H X S+ 0 0 120 -4,-1.3 4,-2.5 -5,-0.3 -1,-0.3 0.941 109.7 43.5 -59.4 -46.3 43.3 117.1 31.1 18 112 A M H X S+ 0 0 31 -4,-1.7 4,-2.1 -3,-0.3 5,-0.3 0.959 108.2 56.2 -70.3 -42.5 42.5 119.4 28.1 19 113 A I H X S+ 0 0 2 -4,-2.7 4,-1.2 1,-0.2 -1,-0.3 0.821 109.3 50.7 -57.9 -23.3 38.9 119.8 29.1 20 114 A D H X S+ 0 0 91 -4,-1.3 4,-1.9 -5,-0.2 5,-0.3 0.936 105.3 53.4 -77.8 -47.1 40.5 121.0 32.4 21 115 A K H X S+ 0 0 92 -4,-2.5 4,-2.4 1,-0.2 3,-0.4 0.957 111.3 46.4 -49.5 -58.8 42.9 123.5 30.8 22 116 A L H X S+ 0 0 2 -4,-2.1 4,-3.5 2,-0.2 5,-0.3 0.861 106.9 56.4 -47.5 -52.5 40.1 125.2 28.9 23 117 A T H X S+ 0 0 12 -4,-1.2 4,-2.0 -5,-0.3 -1,-0.2 0.889 112.8 42.6 -55.2 -41.1 37.7 125.5 31.9 24 118 A T H X S+ 0 0 77 -4,-1.9 4,-1.6 -3,-0.4 -1,-0.3 0.836 116.4 48.0 -73.4 -31.4 40.4 127.3 33.8 25 119 A R H >X S+ 0 0 62 -4,-2.4 4,-1.7 -5,-0.3 3,-1.6 0.994 110.1 50.2 -67.2 -62.6 41.2 129.4 30.8 26 120 A E H 3X S+ 0 0 3 -4,-3.5 4,-2.6 1,-0.3 5,-0.3 0.907 107.4 57.3 -26.7 -57.2 37.6 130.2 30.1 27 121 A I H 3X S+ 0 0 83 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.3 0.881 105.0 51.6 -50.1 -42.5 37.5 131.1 33.8 28 122 A E H << S+ 0 0 94 -4,-1.6 4,-0.3 -3,-1.6 3,-0.3 0.918 111.3 44.7 -60.8 -48.5 40.3 133.6 33.1 29 123 A Q H >X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 3,-1.5 0.832 103.8 64.6 -66.6 -34.6 38.5 135.3 30.2 30 124 A V H 3X S+ 0 0 23 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.900 108.1 41.3 -63.7 -36.9 35.2 135.5 32.0 31 125 A E H 3< S+ 0 0 112 -4,-1.3 4,-0.5 -3,-0.3 -1,-0.3 0.491 109.3 58.5 -88.2 4.9 36.7 137.8 34.5 32 126 A L H <> S+ 0 0 10 -3,-1.5 4,-1.6 -4,-0.3 -2,-0.2 0.824 106.8 48.2 -92.8 -34.5 38.6 139.8 31.8 33 127 A L H X S+ 0 0 2 -4,-2.6 4,-4.5 2,-0.2 5,-0.2 0.919 108.7 54.0 -58.1 -52.9 35.3 140.6 30.1 34 128 A K H X S+ 0 0 87 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.800 109.0 50.4 -48.1 -36.8 33.8 141.7 33.5 35 129 A R H > S+ 0 0 136 -4,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.904 114.9 42.0 -69.5 -45.1 36.9 144.0 33.9 36 130 A I H X S+ 0 0 4 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.911 115.3 50.6 -70.8 -44.7 36.3 145.5 30.4 37 131 A Y H X S+ 0 0 51 -4,-4.5 4,-1.2 1,-0.2 -2,-0.2 0.935 107.8 53.3 -58.2 -43.8 32.6 145.6 31.0 38 132 A D H X S+ 0 0 105 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.862 111.8 46.6 -58.1 -35.4 33.1 147.4 34.3 39 133 A K H >X S+ 0 0 69 -4,-1.4 4,-3.4 2,-0.2 3,-0.6 0.919 99.4 62.3 -80.4 -49.1 35.2 150.1 32.6 40 134 A L H 3< S+ 0 0 21 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.838 105.9 50.5 -39.1 -42.9 33.2 151.0 29.6 41 135 A T H >< S+ 0 0 70 -4,-1.2 3,-0.6 -5,-0.2 -1,-0.3 0.850 111.5 48.1 -67.5 -36.4 30.5 152.1 32.0 42 136 A V H << S+ 0 0 119 -4,-0.8 2,-2.2 -3,-0.6 -2,-0.2 0.962 100.9 62.1 -63.2 -55.3 33.2 154.1 33.7 43 137 A R T 3< 0 0 83 -4,-3.4 -1,-0.2 42,-0.0 -3,-0.1 0.114 360.0 360.0 -57.9 28.9 34.4 155.6 30.4 44 138 A T < 0 0 113 -2,-2.2 133,-0.0 -3,-0.6 0, 0.0 -0.983 360.0 360.0-154.7 360.0 30.8 156.9 30.5 45 !* 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 46 95 B I > 0 0 82 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -1.6 33.9 94.0 19.4 47 96 B E H > + 0 0 84 1,-0.2 4,-1.0 2,-0.2 -43,-0.0 0.800 360.0 36.2 -66.8 -35.7 37.4 93.9 17.9 48 97 B T H > S+ 0 0 80 2,-0.2 4,-1.0 3,-0.1 -1,-0.2 0.564 115.6 52.5 -98.6 -13.2 36.7 96.2 15.0 49 98 B Q H > S+ 0 0 34 2,-0.2 4,-2.8 3,-0.1 -2,-0.2 0.692 103.9 59.1 -92.2 -25.3 34.3 98.5 16.9 50 99 B M H X S+ 0 0 31 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.991 106.6 49.0 -48.3 -65.9 37.0 98.9 19.5 51 100 B D H X S+ 0 0 107 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.817 108.8 50.7 -40.1 -48.5 39.0 100.2 16.5 52 101 B R H X S+ 0 0 55 -4,-1.0 4,-2.4 1,-0.2 5,-0.3 0.993 106.3 56.6 -60.0 -55.1 36.3 102.6 15.5 53 102 B V H X S+ 0 0 8 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.827 108.9 45.9 -42.5 -47.3 36.1 103.9 19.1 54 103 B V H >X S+ 0 0 19 -4,-1.8 4,-2.4 2,-0.2 3,-0.7 0.981 110.1 52.4 -63.8 -58.6 39.8 104.9 19.1 55 104 B K H 3X S+ 0 0 57 -4,-2.0 4,-1.5 1,-0.3 3,-0.5 0.930 110.5 48.3 -40.5 -62.8 39.7 106.5 15.7 56 105 B E H 3X S+ 0 0 31 -4,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.829 110.5 53.9 -51.2 -35.2 36.8 108.7 16.7 57 106 B M H X S+ 0 0 109 -4,-1.5 4,-2.0 1,-0.3 3,-0.6 0.869 110.8 45.4 -28.1 -51.0 42.1 117.2 17.2 63 112 B M H 3X S+ 0 0 39 -4,-1.5 4,-2.1 1,-0.3 -1,-0.3 0.903 108.4 52.2 -72.1 -38.8 39.0 119.1 17.9 64 113 B I H 3X S+ 0 0 1 -4,-1.6 4,-1.1 -3,-0.4 -1,-0.3 0.574 110.4 55.1 -71.4 -7.7 39.8 119.8 21.6 65 114 B D H X S+ 0 0 123 -4,-2.2 4,-2.0 1,-0.2 3,-1.6 0.977 110.4 53.7 -60.4 -52.5 44.0 133.6 20.8 74 123 B Q H 3X S+ 0 0 4 -4,-3.2 4,-2.8 1,-0.3 -1,-0.2 0.852 106.7 53.5 -38.5 -49.0 40.7 134.8 22.4 75 124 B V H 3X S+ 0 0 11 -4,-2.6 4,-1.8 1,-0.2 -1,-0.3 0.733 108.0 48.4 -70.0 -27.0 42.6 135.6 25.6 76 125 B E H S+ 0 0 87 1,-0.3 4,-1.1 2,-0.2 3,-0.4 0.787 103.4 39.9 -74.3 -32.1 26.1 96.6 24.7 93 98 C Q T 4 S+ 0 0 34 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.679 104.1 74.2 -80.0 -19.1 28.1 98.9 27.0 94 99 C M T 4 S+ 0 0 20 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.524 104.7 35.1 -74.7 -4.6 30.5 99.0 24.0 95 100 C D T > S+ 0 0 80 -3,-0.4 4,-4.2 2,-0.2 5,-0.4 0.615 99.0 71.7-116.6 -28.4 27.9 101.3 22.4 96 101 C R T < S+ 0 0 52 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.463 110.4 46.6 -51.3 0.8 26.8 103.1 25.6 97 102 C V T > S+ 0 0 5 3,-0.1 4,-1.4 2,-0.1 -2,-0.2 0.709 110.9 41.9-113.9 -47.9 30.3 104.1 24.5 98 103 C V H > S+ 0 0 51 -4,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.798 119.0 51.3 -71.1 -26.6 30.0 104.9 20.8 99 104 C K H X S+ 0 0 62 -4,-4.2 4,-1.9 2,-0.2 3,-0.3 0.989 109.5 44.1 -72.1 -64.2 26.7 106.6 21.6 100 105 C E H > S+ 0 0 25 -5,-0.4 4,-0.7 1,-0.2 -2,-0.2 0.870 115.6 53.8 -48.1 -37.5 27.9 108.9 24.4 101 106 C M H >X S+ 0 0 5 -4,-1.4 4,-1.7 2,-0.2 3,-1.4 0.925 102.1 52.0 -68.2 -45.9 30.9 109.7 22.2 102 107 C R H 3X S+ 0 0 55 -4,-1.8 4,-1.6 -3,-0.3 -1,-0.2 0.858 108.4 54.6 -62.5 -31.3 29.1 110.7 19.1 103 108 C R H 3X S+ 0 0 42 -4,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.703 104.1 56.4 -70.1 -21.3 27.1 113.1 21.3 104 109 C Q H X S+ 0 0 36 -4,-2.3 4,-2.3 -3,-0.3 3,-2.2 0.972 106.3 57.6 -74.0 -50.6 35.9 135.7 18.3 120 125 C E H 3X S+ 0 0 45 -4,-2.5 4,-2.4 1,-0.3 5,-0.2 0.912 106.0 50.8 -34.7 -72.1 34.0 137.6 15.6 121 126 C L H 3X S+ 0 0 19 -4,-1.5 4,-1.7 1,-0.2 -1,-0.3 0.700 112.1 50.3 -37.6 -30.4 32.6 139.9 18.4 122 127 C L H X S+ 0 0 35 -4,-2.1 3,-1.5 -3,-0.3 4,-1.3 0.953 106.3 52.4 -74.0 -48.7 38.6 145.6 18.8 127 132 C D H 3X S+ 0 0 94 -4,-2.7 4,-1.3 1,-0.3 3,-0.2 0.838 104.4 55.6 -61.2 -38.6 38.2 147.5 15.5 128 133 C K H 3X S+ 0 0 90 -4,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.785 108.4 51.5 -58.0 -28.8 35.8 150.0 17.0 129 134 C L H <4 S+ 0 0 36 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.792 105.8 51.4 -81.6 -27.6 38.5 150.7 19.6 130 135 C T H < S+ 0 0 59 -4,-1.3 3,-0.3 -3,-0.2 -2,-0.2 0.859 117.1 41.6 -74.0 -27.8 41.4 151.3 17.2 131 136 C V H < S+ 0 0 121 -4,-1.3 2,-0.4 1,-0.2 -2,-0.2 0.828 97.6 69.8 -92.5 -39.3 39.3 153.8 15.3 132 137 C R < 0 0 88 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 0.062 360.0 360.0 -65.3 25.3 37.6 155.6 18.3 133 138 C T 0 0 115 -2,-0.4 -1,-0.1 -3,-0.3 -4,-0.0 -0.927 360.0 360.0-144.2 360.0 41.2 156.8 18.6 134 !* 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 0.0 135 95 D I >> 0 0 113 0, 0.0 4,-1.7 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0-132.9 37.2 92.8 30.1 136 96 D E H 3> + 0 0 60 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.774 360.0 72.9 -54.4 -30.0 34.0 94.5 31.3 137 97 D T H 3> S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.929 105.4 30.5 -54.8 -55.7 36.0 96.0 34.2 138 98 D Q H <> S+ 0 0 28 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.835 115.0 61.1 -78.7 -31.0 37.9 98.5 32.2 139 99 D M H X S+ 0 0 27 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.885 103.7 53.0 -59.1 -38.5 35.1 99.0 29.7 140 100 D D H X S+ 0 0 118 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.915 108.2 48.7 -59.1 -47.8 33.1 100.1 32.7 141 101 D R H >X S+ 0 0 52 -4,-1.3 3,-1.3 1,-0.2 4,-1.3 0.995 106.1 58.4 -54.6 -65.3 35.8 102.7 33.6 142 102 D V H 3X S+ 0 0 8 -4,-2.7 4,-1.3 1,-0.3 -1,-0.2 0.782 107.4 46.1 -28.0 -52.1 35.9 103.9 30.0 143 103 D V H 3X S+ 0 0 32 -4,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.891 109.9 55.2 -71.5 -37.1 32.2 104.8 30.1 144 104 D K H XX S+ 0 0 63 -4,-1.8 4,-1.9 -3,-1.3 3,-0.8 0.992 109.4 42.3 -54.0 -70.3 32.4 106.5 33.5 145 105 D E H 3X S+ 0 0 26 -4,-1.3 4,-1.6 1,-0.3 -1,-0.2 0.736 112.3 59.5 -59.2 -18.6 35.2 109.0 32.6 146 106 D M H 3X S+ 0 0 1 -4,-1.3 4,-0.9 -5,-0.4 -1,-0.3 0.945 108.4 40.4 -71.0 -47.2 33.3 109.6 29.3 147 107 D R H X S+ 0 0 28 -4,-1.8 4,-2.0 2,-0.2 3,-0.6 0.955 110.7 43.1 -60.0 -65.1 32.4 118.9 32.1 153 113 D I H 3X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.3 -1,-0.2 0.760 113.4 57.6 -54.2 -30.8 31.8 120.2 28.5 154 114 D D H 3X S+ 0 0 87 -4,-1.1 4,-1.6 -5,-0.3 -1,-0.3 0.888 106.2 45.9 -65.7 -41.2 28.2 120.9 29.7 155 115 D K H << S+ 0 0 99 -4,-1.8 4,-0.3 -3,-0.6 -2,-0.2 0.852 114.4 53.1 -66.3 -30.5 29.6 123.2 32.5 156 116 D L H >X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 3,-2.3 0.974 105.5 47.4 -71.9 -56.8 31.8 124.7 29.8 157 117 D T H 3X S+ 0 0 23 -4,-3.0 4,-2.4 1,-0.3 5,-0.2 0.926 109.6 56.6 -46.5 -49.1 29.1 125.5 27.2 158 118 D T H 3X S+ 0 0 74 -4,-1.6 4,-1.0 1,-0.3 -1,-0.3 0.730 111.5 47.1 -58.5 -17.0 27.1 127.1 30.0 159 119 D R H <> S+ 0 0 82 -3,-2.3 4,-1.1 -4,-0.3 -2,-0.3 0.853 108.4 47.2 -98.8 -33.8 30.3 129.1 30.5 160 120 D E H X S+ 0 0 2 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.716 107.7 60.3 -77.9 -10.9 31.0 130.2 27.0 161 121 D I H >X S+ 0 0 52 -4,-2.4 4,-1.2 -5,-0.4 3,-0.9 0.991 103.2 50.8 -71.5 -51.1 27.4 131.2 26.7 162 122 D E H 3X S+ 0 0 95 -4,-1.0 4,-0.6 1,-0.3 -2,-0.2 0.666 108.1 53.2 -54.8 -27.0 27.9 133.6 29.6 163 123 D Q H >X S+ 0 0 2 -4,-1.1 4,-2.0 2,-0.2 3,-0.6 0.881 105.6 54.4 -65.0 -40.3 30.9 135.0 27.8 164 124 D V H X S+ 0 0 67 -4,-1.6 4,-1.4 1,-0.2 3,-0.6 0.822 109.0 43.5 -56.7 -34.9 27.8 149.7 24.9 174 134 D L H 3< S+ 0 0 27 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.974 99.0 68.9 -76.4 -50.9 30.5 151.0 22.5 175 135 D T T 3< S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.601 106.8 46.6 -39.4 -10.7 28.2 151.1 19.4 176 136 D V T <4 0 0 125 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.858 360.0 360.0-102.4 -55.8 26.6 153.9 21.5 177 137 D R < 0 0 124 -4,-1.4 -3,-0.1 -3,-0.1 -2,-0.1 0.877 360.0 360.0 -52.8 360.0 29.6 156.0 22.6