==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-DEC-11 3V2W . COMPND 2 MOLECULE: SPHINGOSINE 1-PHOSPHATE RECEPTOR 1, LYSOZYME CHIM . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS, ENTEROBACTERIA PHAGE T4; . AUTHOR M.A.HANSON,C.B.ROTH,E.JO,M.T.GRIFFITH,F.L.SCOTT,G.REINHART,H . 442 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 77.1 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 . 12 2.7 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 56.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 1 1 0 2 2 2 2 0 1 0 0 0 2 0 0 0 0 0 0 1 1 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 . 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 17 A S 0 0 149 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.4 -5.9 34.0 -27.4 2 18 A D - 0 0 134 2,-0.2 2,-0.4 1,-0.2 0, 0.0 -0.064 360.0-118.1 -45.3 142.5 -4.7 34.5 -23.8 3 19 A Y S S+ 0 0 124 1,-0.2 -1,-0.2 4,-0.1 154,-0.0 0.013 108.1 82.3 -78.4 35.0 -1.7 32.5 -22.8 4 20 A V + 0 0 77 -2,-0.4 2,-0.3 88,-0.1 -1,-0.2 -0.631 68.6 116.0-133.0 59.2 -4.2 31.0 -20.3 5 21 A N S > S- 0 0 48 -4,-0.1 3,-0.8 85,-0.1 4,-0.5 -0.915 76.4-112.5-127.0 160.9 -5.7 28.5 -22.9 6 22 A Y T 3> S+ 0 0 122 -2,-0.3 4,-0.9 1,-0.2 84,-0.1 0.524 105.0 72.9 -75.5 -6.1 -5.7 24.6 -22.9 7 23 A D H 3> S+ 0 0 83 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.802 86.0 62.3 -79.6 -31.9 -3.4 24.3 -26.0 8 24 A I H <> S+ 0 0 1 -3,-0.8 4,-2.9 2,-0.2 5,-0.3 0.916 101.4 53.3 -57.9 -45.8 -0.2 25.4 -24.2 9 25 A I H > S+ 0 0 0 -4,-0.5 4,-2.3 81,-0.2 -1,-0.2 0.911 112.0 44.7 -54.9 -48.3 -0.4 22.3 -21.9 10 26 A V H < S+ 0 0 50 -4,-0.9 4,-0.4 2,-0.2 -2,-0.2 0.948 115.0 48.6 -60.7 -51.8 -0.7 20.0 -25.0 11 27 A R H X S+ 0 0 88 -4,-2.6 4,-1.9 1,-0.2 3,-0.2 0.833 116.3 41.9 -55.1 -46.2 2.2 21.9 -26.8 12 28 A H H X S+ 0 0 1 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.802 114.0 50.4 -78.9 -31.0 4.6 21.8 -23.7 13 29 A Y H X>S+ 0 0 7 -4,-2.3 5,-0.6 -5,-0.3 4,-0.6 0.484 112.5 52.6 -83.8 0.4 3.6 18.1 -22.9 14 30 A N H 45S+ 0 0 97 -4,-0.4 5,-0.2 -3,-0.2 -2,-0.2 0.864 105.2 49.4 -94.3 -50.9 4.4 17.5 -26.6 15 31 A Y H <5S+ 0 0 98 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.809 115.6 45.4 -60.0 -36.6 8.0 19.1 -26.7 16 32 A T H <5S- 0 0 3 -4,-1.2 388,-0.4 387,-0.1 -1,-0.2 0.960 113.9-120.6 -72.5 -50.3 9.0 17.1 -23.6 17 33 A G T X5S+ 0 0 28 -4,-0.6 4,-0.6 -5,-0.1 -3,-0.2 0.478 80.9 112.0 121.7 11.9 7.5 13.8 -24.9 18 34 A K T 4< + 0 0 65 -5,-0.6 -4,-0.2 1,-0.1 -5,-0.1 -0.042 56.7 87.8-101.2 30.9 4.8 12.8 -22.3 19 35 A L T 4 S+ 0 0 48 -5,-0.2 -1,-0.1 -6,-0.2 -5,-0.1 0.919 103.1 18.6 -90.3 -56.1 1.8 13.5 -24.7 20 36 A N T 4 S+ 0 0 144 -3,-0.1 2,-1.4 1,-0.1 -2,-0.1 0.818 111.1 81.2 -83.4 -35.7 1.5 10.1 -26.6 21 37 A I < + 0 0 132 -4,-0.6 2,-0.3 2,-0.0 -1,-0.1 -0.598 65.7 139.7 -76.0 88.7 3.5 8.2 -23.9 22 38 A S 0 0 83 -2,-1.4 -3,-0.0 1,-0.1 -4,-0.0 -0.998 360.0 360.0-139.3 133.9 0.6 7.7 -21.3 23 39 A A 0 0 160 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.705 360.0 360.0 -75.0 360.0 -0.4 4.7 -19.1 24 ! 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 25 47 A L 0 0 117 0, 0.0 4,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.6 -6.1 2.5 -10.5 26 48 A T > + 0 0 100 2,-0.1 4,-1.3 1,-0.1 3,-0.3 0.789 360.0 61.0 -78.3 -31.3 -2.8 3.5 -8.7 27 49 A S H >> S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 3,-0.6 0.961 95.2 56.0 -61.8 -58.8 -4.1 7.0 -8.0 28 50 A V H 3> S+ 0 0 101 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.721 106.2 56.5 -50.0 -25.6 -7.2 6.1 -5.8 29 51 A V H 3> S+ 0 0 79 -4,-0.4 4,-1.5 -3,-0.3 -1,-0.3 0.954 111.7 39.1 -70.7 -51.8 -4.7 4.2 -3.6 30 52 A F H < - 0 0 29 -4,-1.1 3,-0.8 1,-0.1 -1,-0.1 -0.928 59.3-160.8-110.8 120.9 -1.0 19.6 26.0 52 74 A K G > S+ 0 0 93 -2,-0.5 3,-1.0 1,-0.2 -1,-0.1 0.793 96.8 53.9 -63.8 -34.5 -0.0 22.5 28.4 53 75 A K G 3 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.682 103.7 59.0 -72.4 -20.6 3.7 21.2 28.5 54 76 A F G < S+ 0 0 9 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.240 74.7 93.4 -93.7 9.2 3.6 21.4 24.6 55 77 A H < + 0 0 91 -3,-1.0 -1,-0.2 4,-0.1 -2,-0.1 0.050 63.3 123.7 -87.6 27.6 2.7 25.2 24.6 56 78 A R S >> S- 0 0 36 -3,-0.2 4,-1.0 1,-0.1 3,-0.8 -0.599 77.8-110.7 -88.6 148.4 6.6 25.7 24.4 57 79 A P H >> S+ 0 0 52 0, 0.0 3,-1.0 0, 0.0 4,-0.9 0.847 114.7 54.6 -46.6 -49.4 8.2 27.7 21.5 58 80 A M H >> S+ 0 0 10 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.862 103.4 56.1 -55.5 -42.2 9.8 24.6 19.8 59 81 A Y H <> S+ 0 0 13 -3,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.788 99.7 60.1 -63.1 -29.3 6.5 22.8 19.5 60 82 A Y H X S+ 0 0 73 -4,-0.9 4,-2.2 2,-0.2 3,-0.9 0.968 112.4 48.7 -74.9 -61.4 -4.1 18.3 0.4 75 97 A A H 3X S+ 0 0 12 -4,-3.3 4,-1.1 1,-0.3 -2,-0.2 0.683 114.6 47.9 -52.6 -25.4 -2.2 19.8 -2.5 76 98 A Y H 3X S+ 0 0 11 -4,-1.7 4,-2.6 2,-0.2 -1,-0.3 0.775 106.1 54.9 -92.1 -26.1 -1.2 16.3 -3.6 77 99 A T H < S+ 0 0 19 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.876 114.1 48.1 -58.9 -41.9 -3.7 13.2 -8.2 81 103 A L H 3< S+ 0 0 107 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.755 119.1 39.9 -70.3 -26.5 -7.3 14.3 -9.1 82 104 A L T 3< S+ 0 0 58 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.047 102.2 94.4-114.0 26.4 -5.9 16.9 -11.7 83 105 A S S X S+ 0 0 34 -3,-0.9 3,-1.5 3,-0.1 2,-0.5 -0.564 75.2 8.9-109.9 173.4 -3.0 14.6 -13.1 84 106 A G T 3 S+ 0 0 42 1,-0.3 3,-0.3 2,-0.2 4,-0.3 -0.464 134.0 7.4 66.3-110.6 -2.6 12.3 -16.2 85 107 A A T > S+ 0 0 91 -2,-0.5 3,-0.8 1,-0.2 -1,-0.3 0.834 132.8 54.1 -72.6 -34.3 -5.7 12.6 -18.5 86 108 A T G X S+ 0 0 37 -3,-1.5 3,-1.5 1,-0.2 -1,-0.2 0.610 86.9 83.9 -76.6 -12.9 -7.2 15.5 -16.5 87 109 A T G > S+ 0 0 1 -3,-0.3 3,-0.8 1,-0.3 -1,-0.2 0.848 90.5 50.9 -55.6 -36.0 -3.8 17.5 -16.9 88 110 A Y G < S+ 0 0 51 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.569 96.7 66.8 -83.7 -9.1 -5.0 18.6 -20.4 89 111 A K G < S+ 0 0 137 -3,-1.5 2,-0.3 -4,-0.1 -1,-0.2 0.118 90.8 90.7 -97.4 25.3 -8.4 19.8 -18.9 90 112 A L S < S- 0 0 8 -3,-0.8 -81,-0.2 -84,-0.1 -85,-0.1 -0.891 74.5-128.6-119.4 146.8 -6.4 22.6 -17.1 91 113 A T > - 0 0 19 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.525 35.0-106.7 -83.3 158.3 -5.4 26.1 -18.1 92 114 A P H > S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.893 124.8 50.5 -53.7 -38.5 -1.7 27.1 -17.8 93 115 A A H > S+ 0 0 38 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.922 109.7 48.4 -62.7 -47.1 -2.7 29.3 -14.8 94 116 A Q H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.859 112.6 51.1 -60.5 -36.3 -4.6 26.3 -13.2 95 117 A W H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 5,-0.4 0.949 108.5 48.4 -65.5 -53.3 -1.4 24.2 -13.9 96 118 A F H X S+ 0 0 6 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.672 116.3 46.7 -61.1 -18.4 1.0 26.8 -12.2 97 119 A L H X S+ 0 0 119 -4,-1.0 4,-1.1 -5,-0.2 -1,-0.2 0.759 108.0 55.3 -91.3 -31.2 -1.5 26.7 -9.4 98 120 A R H < S+ 0 0 16 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.813 123.3 26.1 -69.2 -34.9 -1.7 22.8 -9.4 99 121 A E H >X S+ 0 0 26 -4,-2.0 4,-1.2 2,-0.1 3,-1.1 0.716 111.7 68.0-101.4 -28.3 2.2 22.5 -9.0 100 122 A G H 3X S+ 0 0 2 -4,-0.8 4,-1.9 -5,-0.4 -3,-0.2 0.798 92.8 61.7 -61.1 -31.6 2.8 25.9 -7.2 101 123 A S H 3X S+ 0 0 42 -4,-1.1 4,-1.5 1,-0.2 -1,-0.3 0.750 101.8 52.6 -67.0 -26.6 0.9 24.6 -4.1 102 124 A M H <> S+ 0 0 34 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.880 109.3 47.8 -75.3 -42.3 3.6 21.8 -3.8 103 125 A F H X S+ 0 0 29 -4,-1.2 4,-3.2 2,-0.2 -2,-0.2 0.845 111.8 49.9 -66.6 -37.6 6.6 24.3 -3.9 104 126 A V H X S+ 0 0 19 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.904 112.0 48.8 -67.1 -40.1 4.8 26.5 -1.2 105 127 A A H X S+ 0 0 6 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.776 116.2 44.1 -69.0 -29.5 4.3 23.3 0.9 106 128 A L H X S+ 0 0 12 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.930 111.8 50.7 -77.2 -52.2 8.0 22.5 0.4 107 129 A S H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 5,-0.2 0.917 113.1 46.7 -51.3 -49.4 9.3 26.0 1.0 108 130 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.870 111.1 52.6 -61.2 -41.9 7.3 26.3 4.3 109 131 A S H X S+ 0 0 5 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.878 109.3 48.9 -61.4 -44.0 8.6 22.7 5.4 110 132 A V H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.932 112.6 46.2 -64.4 -48.9 12.3 23.7 4.9 111 133 A F H X S+ 0 0 36 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.727 107.9 59.7 -69.3 -19.7 12.0 27.0 6.9 112 134 A S H X S+ 0 0 1 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.935 105.7 46.4 -70.5 -43.7 10.1 25.0 9.6 113 135 A L H X S+ 0 0 2 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.884 112.5 51.9 -61.4 -41.8 13.2 22.7 10.0 114 136 A L H X S+ 0 0 60 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.919 110.0 48.1 -56.4 -50.8 15.4 25.9 10.1 115 137 A A H X S+ 0 0 20 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.780 114.6 46.3 -63.6 -31.2 13.1 27.4 12.8 116 138 A I H < S+ 0 0 5 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.896 113.6 48.3 -78.0 -42.9 13.3 24.1 14.8 117 139 A A H >X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 3,-0.7 0.849 114.9 44.6 -64.6 -37.3 17.2 23.9 14.3 118 140 A I H 3X S+ 0 0 81 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.802 106.8 60.6 -78.7 -26.6 17.6 27.5 15.4 119 141 A E H 3< S+ 0 0 18 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.406 104.8 52.5 -78.5 1.1 15.1 26.9 18.4 120 142 A R H X> S+ 0 0 20 -3,-0.7 3,-1.8 2,-0.1 4,-0.7 0.803 100.3 56.7 -97.0 -46.3 17.7 24.3 19.6 121 143 A Y H 3X S+ 0 0 82 -4,-1.2 4,-1.2 1,-0.3 -2,-0.2 0.722 104.0 56.4 -59.5 -23.2 20.8 26.5 19.6 122 144 A I H 3< S+ 0 0 94 -4,-0.8 -1,-0.3 2,-0.2 -2,-0.1 0.619 88.7 75.9 -88.3 -12.0 19.0 28.9 22.0 123 145 A T H <4 S+ 0 0 60 -3,-1.8 3,-0.2 1,-0.2 -2,-0.2 0.961 108.9 29.5 -62.5 -50.1 18.3 26.1 24.6 124 146 A M H < S+ 0 0 79 -4,-0.7 2,-1.3 1,-0.2 -2,-0.2 0.925 121.3 55.9 -72.4 -46.1 22.0 26.2 25.8 125 147 A L < 0 0 114 -4,-1.2 -1,-0.2 1,-0.0 -2,-0.0 -0.645 360.0 360.0 -91.0 78.1 22.5 30.0 24.9 126 148 A K 0 0 220 -2,-1.3 -3,-0.1 -3,-0.2 -2,-0.1 -0.072 360.0 360.0-127.6 360.0 19.6 31.5 26.9 127 ! 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 0.0 128 156 A N 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 51.4 9.3 35.8 23.0 129 157 A N > + 0 0 102 3,-0.1 4,-1.0 4,-0.0 3,-0.3 0.617 360.0 46.0-128.5 -42.1 5.8 34.5 22.2 130 158 A F T 4 S+ 0 0 165 1,-0.2 3,-0.3 2,-0.2 5,-0.1 0.906 108.3 57.8 -68.6 -45.6 4.2 37.2 19.8 131 159 A R T > S+ 0 0 157 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.645 100.7 61.1 -60.5 -17.1 7.4 37.4 17.7 132 160 A L H >> S+ 0 0 14 -3,-0.3 4,-2.4 2,-0.2 3,-0.8 0.944 101.6 47.4 -76.3 -49.5 7.0 33.6 17.1 133 161 A F H 3< S+ 0 0 112 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.263 112.2 56.0 -76.1 14.7 3.5 33.9 15.3 134 162 A L H 3> S+ 0 0 95 -3,-0.3 4,-1.8 3,-0.1 -1,-0.3 0.602 106.6 46.4-109.7 -32.9 5.4 36.7 13.4 135 163 A L H S+ 0 0 66 -5,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.908 111.8 49.4 -67.4 -41.4 3.7 34.4 9.4 138 166 A A H X S+ 0 0 42 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.921 106.7 57.5 -60.6 -45.2 7.0 35.5 7.7 139 167 A C H X S+ 0 0 12 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.866 109.5 42.3 -51.7 -52.7 7.7 31.9 6.7 140 168 A W H X S+ 0 0 45 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.771 112.9 53.3 -72.5 -26.9 4.5 31.4 4.7 141 169 A V H X S+ 0 0 81 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.953 111.8 45.2 -71.2 -45.2 4.8 34.9 3.1 142 170 A I H X S+ 0 0 80 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.806 113.6 52.4 -62.8 -34.5 8.4 34.0 1.9 143 171 A S H X S+ 0 0 0 -4,-1.6 4,-2.9 -5,-0.2 5,-0.3 0.948 108.2 48.1 -67.3 -51.3 7.0 30.5 0.8 144 172 A L H X S+ 0 0 111 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.812 111.5 52.3 -57.9 -37.0 4.1 32.1 -1.3 145 173 A I H X S+ 0 0 104 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.940 115.1 39.5 -66.8 -49.3 6.6 34.5 -3.0 146 174 A L H >< S+ 0 0 30 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.911 120.6 43.8 -67.8 -46.3 9.1 31.6 -4.0 147 175 A G H 3< S+ 0 0 0 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.710 114.6 51.3 -70.6 -24.1 6.3 29.1 -5.0 148 176 A G H >X S+ 0 0 18 -4,-1.3 4,-2.6 -5,-0.3 3,-0.6 0.575 79.7 95.3 -90.0 -13.7 4.4 31.9 -6.8 149 177 A L T <<>S+ 0 0 48 -4,-0.8 5,-2.6 -3,-0.5 -1,-0.2 0.823 86.7 48.5 -47.9 -42.6 7.3 33.2 -9.0 150 178 A P T >45S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.874 112.6 47.6 -70.0 -33.7 6.3 30.9 -12.0 151 179 A I T <45S+ 0 0 89 -3,-0.6 -2,-0.2 1,-0.3 -3,-0.1 0.902 108.8 55.8 -67.5 -39.5 2.6 32.1 -11.7 152 180 A M T 3<5S- 0 0 90 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4,-1.4 1,-0.1 5,-0.1 -0.582 29.0-107.7-109.9 172.8 36.8 36.3 34.1 262 1060 A K H > S+ 0 0 99 2,-0.2 4,-1.8 -2,-0.2 5,-0.1 0.927 123.7 41.2 -66.6 -47.1 33.9 33.8 33.3 263 1061 A D H > S+ 0 0 84 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.941 111.3 55.5 -66.4 -46.9 35.6 32.8 30.0 264 1062 A E H > S+ 0 0 47 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.820 111.5 45.9 -56.4 -32.6 39.1 32.7 31.7 265 1063 A A H X S+ 0 0 2 -4,-1.4 4,-1.4 2,-0.2 -34,-0.3 0.892 115.4 45.9 -73.5 -42.8 37.6 30.3 34.3 266 1064 A E H X S+ 0 0 44 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.855 113.3 48.6 -67.5 -42.1 35.9 28.2 31.5 267 1065 A K H X S+ 0 0 105 -4,-3.4 4,-0.6 2,-0.2 -1,-0.2 0.774 113.1 48.1 -72.4 -27.4 39.1 28.1 29.3 268 1066 A L H X S+ 0 0 4 -4,-1.0 4,-0.9 -5,-0.3 -2,-0.2 0.786 109.7 55.4 -79.2 -29.4 41.2 27.1 32.4 269 1067 A F H >X S+ 0 0 3 -4,-1.4 4,-1.2 2,-0.2 3,-0.7 0.914 99.6 56.5 -66.9 -50.4 38.5 24.4 33.1 270 1068 A N H 3X S+ 0 0 59 -4,-2.0 4,-3.4 1,-0.2 -1,-0.2 0.796 101.8 60.0 -54.1 -32.3 38.7 22.7 29.7 271 1069 A Q H 3X S+ 0 0 102 -4,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.893 106.1 45.1 -62.7 -42.8 42.5 22.2 30.3 272 1070 A D H X S+ 0 0 27 -4,-3.2 4,-1.7 1,-0.2 3,-1.5 0.921 113.3 48.5 -62.5 -47.7 40.4 12.8 29.4 278 1076 A R H 3< S+ 0 0 159 -4,-3.0 4,-0.4 1,-0.3 -1,-0.2 0.871 105.1 60.4 -61.5 -35.6 44.1 12.1 28.6 279 1077 A G T 3< S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.573 108.6 43.8 -65.8 -13.5 44.5 10.5 32.0 280 1078 A I T X4 S+ 0 0 0 -3,-1.5 3,-1.1 -4,-0.3 7,-0.4 0.752 109.5 54.6 -98.0 -36.8 41.8 7.9 30.9 281 1079 A L T 3< S+ 0 0 92 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.365 108.9 50.9 -81.5 3.6 43.3 7.4 27.4 282 1080 A R T 3 S+ 0 0 184 -4,-0.4 2,-0.4 -5,-0.2 -1,-0.2 0.181 97.5 78.2-122.2 11.1 46.7 6.5 29.0 283 1081 A N X> - 0 0 38 -3,-1.1 4,-3.0 -5,-0.1 3,-1.1 -0.994 64.8-151.3-129.1 126.9 45.4 3.9 31.5 284 1082 A A T 34 S+ 0 0 94 -2,-0.4 -1,-0.1 1,-0.2 5,-0.1 0.552 100.9 52.1 -70.6 -12.7 44.5 0.2 30.6 285 1083 A K T 34 S+ 0 0 35 2,-0.1 -1,-0.2 3,-0.1 -5,-0.0 0.467 119.8 33.7-100.3 -6.3 41.9 0.1 33.4 286 1084 A L T <> S+ 0 0 0 -3,-1.1 4,-2.8 -6,-0.3 -2,-0.2 0.732 106.5 63.0-115.4 -42.1 40.2 3.3 32.3 287 1085 A K H X S+ 0 0 98 -4,-3.0 4,-2.7 -7,-0.4 5,-0.2 0.905 106.0 45.1 -57.6 -49.5 40.4 3.4 28.4 288 1086 A P H > S+ 0 0 65 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.889 114.4 50.6 -64.2 -35.0 38.2 0.2 27.8 289 1087 A V H >> S+ 0 0 8 2,-0.2 4,-1.7 1,-0.2 3,-0.5 0.956 113.5 45.3 -61.1 -50.4 35.7 1.5 30.5 290 1088 A Y H 3< S+ 0 0 36 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.2 0.851 112.2 50.8 -61.3 -42.5 35.6 5.0 28.6 291 1089 A D H 3< S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.744 114.3 44.9 -70.2 -23.7 35.3 3.3 25.2 292 1090 A S H << S+ 0 0 43 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.724 99.6 88.0 -90.4 -25.9 32.4 1.2 26.5 293 1091 A L S < S- 0 0 7 -4,-1.7 2,-0.1 -5,-0.1 31,-0.0 -0.328 77.5-119.5 -72.4 155.4 30.6 4.1 28.3 294 1092 A D > - 0 0 67 -2,-0.1 4,-3.6 1,-0.1 3,-0.5 -0.471 39.3 -91.5 -87.0 165.9 28.0 6.4 26.6 295 1093 A A H > S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.770 127.9 48.7 -47.2 -38.6 28.6 10.3 26.3 296 1094 A V H > S+ 0 0 23 62,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.887 119.1 37.3 -72.5 -43.2 26.7 10.9 29.7 297 1095 A R H > S+ 0 0 18 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.761 111.8 59.6 -82.4 -25.7 28.7 8.1 31.6 298 1096 A R H X S+ 0 0 79 -4,-3.6 4,-1.7 1,-0.2 -2,-0.2 0.946 111.0 42.1 -61.8 -44.4 31.9 9.0 29.7 299 1097 A A H X S+ 0 0 3 -4,-1.7 4,-0.8 -5,-0.2 -2,-0.2 0.719 110.3 58.6 -70.6 -25.9 31.5 12.6 31.2 300 1098 A A H X S+ 0 0 0 -4,-0.7 4,-1.0 2,-0.2 -1,-0.2 0.844 106.6 46.7 -72.3 -36.2 30.6 10.9 34.6 301 1099 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 3,-0.5 0.906 107.0 57.4 -69.5 -42.6 34.0 9.0 34.7 302 1100 A I H X S+ 0 0 3 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.768 103.1 56.6 -57.5 -29.0 35.8 12.3 33.8 303 1101 A N H < S+ 0 0 0 -4,-0.8 4,-0.3 2,-0.2 -1,-0.2 0.877 106.7 47.0 -73.3 -39.1 34.1 13.8 36.9 304 1102 A M H >X S+ 0 0 3 -4,-1.0 4,-2.1 -3,-0.5 3,-1.1 0.896 113.5 48.2 -66.8 -40.8 35.6 11.1 39.2 305 1103 A V H 3< S+ 0 0 13 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.774 102.2 64.5 -69.0 -28.3 39.1 11.6 37.6 306 1104 A F T 3< S+ 0 0 24 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.585 115.2 30.9 -72.8 -10.7 38.6 15.5 38.1 307 1105 A Q T <4 S+ 0 0 48 -3,-1.1 -2,-0.2 -4,-0.3 -3,-0.1 0.790 136.7 14.8-109.6 -65.1 38.7 14.8 41.9 308 1106 A M S < S- 0 0 58 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.987 94.8-141.8 -76.9 -68.3 41.0 11.7 42.6 309 1107 A G > - 0 0 19 -5,-0.4 4,-2.3 1,-0.2 5,-0.3 -0.826 39.2 -42.3 132.7-169.2 42.9 11.2 39.4 310 1108 A E H > S+ 0 0 53 -2,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.933 140.4 30.8 -59.2 -53.8 44.3 8.3 37.2 311 1109 A T H > S+ 0 0 121 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.851 117.4 59.7 -73.4 -38.7 45.5 6.1 40.1 312 1110 A G H 4 S+ 0 0 29 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.850 113.9 34.9 -57.9 -41.1 42.7 7.4 42.4 313 1111 A V H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.766 111.3 63.3 -85.7 -27.7 39.9 6.2 40.1 314 1112 A A H >< S+ 0 0 22 -4,-1.4 3,-0.8 -5,-0.3 -2,-0.2 0.803 87.0 75.1 -64.7 -26.0 42.1 3.1 39.2 315 1113 A G T 3< S+ 0 0 61 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.126 85.3 65.8 -72.5 20.6 41.7 2.2 42.9 316 1114 A F T X> + 0 0 25 -3,-1.0 4,-2.6 1,-0.1 3,-1.5 -0.187 55.7 136.5-134.6 38.6 38.1 1.1 42.1 317 1115 A T H <> S+ 0 0 91 -3,-0.8 4,-2.4 1,-0.3 5,-0.2 0.826 70.3 61.5 -54.3 -39.9 38.9 -1.9 39.8 318 1116 A N H 34 S+ 0 0 96 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.741 115.9 33.4 -60.3 -25.8 36.1 -4.0 41.7 319 1117 A S H <> S+ 0 0 2 -3,-1.5 4,-1.3 2,-0.1 -2,-0.2 0.754 113.5 58.1 -99.0 -36.8 33.6 -1.3 40.4 320 1118 A L H X S+ 0 0 10 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.836 103.6 54.9 -63.0 -35.6 35.3 -0.4 37.0 321 1119 A R H X S+ 0 0 53 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.866 105.9 52.0 -64.6 -37.3 35.0 -4.1 36.0 322 1120 A M H 4>S+ 0 0 45 -4,-0.3 5,-2.0 1,-0.2 -1,-0.2 0.795 106.4 53.9 -68.4 -32.1 31.2 -3.8 36.8 323 1121 A L H <5S+ 0 0 2 -4,-1.3 -1,-0.2 3,-0.2 -2,-0.2 0.752 108.4 50.2 -72.4 -28.6 31.1 -0.7 34.5 324 1122 A Q H <5S+ 0 0 48 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.810 109.2 49.6 -77.5 -34.9 32.7 -2.8 31.7 325 1123 A Q T <5S- 0 0 146 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.425 113.1-123.1 -82.9 -2.1 30.1 -5.7 32.1 326 1124 A K T 5S+ 0 0 88 -3,-0.2 2,-1.2 -4,-0.2 -3,-0.2 0.629 70.2 135.6 65.6 23.8 27.3 -2.9 32.0 327 1125 A R >>< + 0 0 134 -5,-2.0 4,-1.4 1,-0.2 3,-0.7 -0.601 21.7 166.2 -98.0 69.0 26.0 -4.0 35.4 328 1126 A W H 3> + 0 0 43 -2,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.777 64.4 66.8 -52.3 -38.9 25.6 -0.4 36.7 329 1127 A D H 3> S+ 0 0 106 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.878 104.7 39.8 -55.9 -49.5 23.5 -1.4 39.7 330 1128 A E H <> S+ 0 0 75 -3,-0.7 4,-2.4 2,-0.2 3,-0.4 0.870 114.3 55.2 -70.3 -38.1 26.3 -3.4 41.5 331 1129 A A H X S+ 0 0 1 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.844 105.3 52.8 -61.7 -37.4 28.9 -0.7 40.5 332 1130 A A H X S+ 0 0 16 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.753 111.8 46.7 -69.1 -27.5 26.6 2.0 42.1 333 1131 A V H X S+ 0 0 95 -4,-0.8 4,-1.5 -3,-0.4 -2,-0.2 0.926 110.7 48.5 -81.6 -51.0 26.5 -0.1 45.4 334 1132 A N H X S+ 0 0 53 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.877 114.0 47.5 -57.8 -42.8 30.3 -0.9 45.7 335 1133 A L H < S+ 0 0 3 -4,-1.7 6,-0.8 1,-0.2 3,-0.3 0.828 107.7 55.9 -68.7 -33.7 31.3 2.8 45.1 336 1134 A A H < S+ 0 0 50 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.818 110.9 45.3 -66.9 -30.4 28.6 3.9 47.7 337 1135 A K H < S+ 0 0 82 -4,-1.5 -1,-0.2 -3,-0.1 -2,-0.2 0.614 99.5 92.0 -86.6 -16.8 30.3 1.7 50.3 338 1136 A S S >< S- 0 0 25 -4,-0.8 3,-0.7 -3,-0.3 4,-0.3 -0.267 92.6-103.5 -78.1 166.7 33.9 2.9 49.3 339 1137 A R T >> S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 3,-0.8 0.735 114.9 66.0 -59.7 -31.8 35.8 5.8 51.0 340 1138 A W H 3> S+ 0 0 6 1,-0.2 4,-1.1 2,-0.2 8,-0.2 0.877 98.6 50.4 -60.8 -43.9 35.1 8.2 48.0 341 1139 A Y H <4 S+ 0 0 16 -6,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.545 114.3 48.1 -73.4 -6.8 31.3 8.3 48.6 342 1140 A N H <4 S+ 0 0 112 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.2 0.771 105.9 54.0-101.3 -36.9 32.1 9.1 52.3 343 1141 A Q H < S+ 0 0 133 -4,-2.0 -2,-0.1 1,-0.3 -3,-0.1 0.997 131.4 11.2 -59.1 -71.1 34.7 12.0 51.8 344 1142 A T S X S+ 0 0 39 -4,-1.1 4,-1.7 1,-0.2 -1,-0.3 -0.923 81.8 174.6-107.8 95.6 32.4 14.1 49.5 345 1143 A P H > S+ 0 0 72 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.958 74.0 40.0 -75.6 -51.5 29.0 12.4 49.9 346 1144 A N H > S+ 0 0 113 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.798 116.2 54.4 -64.8 -31.2 26.5 14.6 48.0 347 1145 A R H > S+ 0 0 15 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.975 114.1 38.8 -66.4 -53.9 29.1 15.1 45.2 348 1146 A A H X S+ 0 0 0 -4,-1.7 4,-3.3 -8,-0.2 5,-0.2 0.853 108.9 65.0 -62.4 -38.4 29.6 11.3 44.7 349 1147 A K H X S+ 0 0 135 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.871 105.9 42.6 -52.6 -45.7 25.8 10.8 45.2 350 1148 A R H X S+ 0 0 61 -4,-1.5 4,-1.3 -3,-0.4 -1,-0.2 0.869 114.9 49.9 -69.9 -40.1 25.1 12.8 42.0 351 1149 A V H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.918 112.7 46.7 -65.0 -45.5 28.0 11.1 40.1 352 1150 A I H X S+ 0 0 20 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.868 108.9 55.2 -65.2 -38.7 26.7 7.6 41.1 353 1151 A T H X S+ 0 0 40 -4,-1.8 4,-2.8 -5,-0.2 5,-0.4 0.827 107.8 50.5 -63.8 -32.8 23.0 8.5 40.1 354 1152 A T H X S+ 0 0 0 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.859 111.0 47.6 -74.6 -36.3 24.4 9.4 36.6 355 1153 A F H < S+ 0 0 2 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.824 116.3 46.0 -71.8 -30.5 26.2 6.0 36.4 356 1154 A R H < S+ 0 0 41 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.974 127.9 23.2 -73.3 -57.2 22.9 4.3 37.6 357 1155 A T H < S- 0 0 75 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.960 88.1-139.8 -74.9 -56.7 20.5 6.2 35.3 358 1156 A G < + 0 0 13 -4,-1.3 2,-0.3 1,-0.4 -62,-0.2 0.602 69.2 94.6 96.9 19.7 22.8 7.3 32.4 359 1157 A T S S- 0 0 27 -6,-0.3 -1,-0.4 -63,-0.1 -2,-0.2 -0.906 86.3-111.8-137.5 164.2 21.1 10.7 32.2 360 1158 A W S >> S+ 0 0 19 7,-0.4 2,-2.5 -2,-0.3 3,-2.1 0.272 77.7 119.2 -82.2 12.4 21.6 14.2 33.5 361 1159 A D T 34 S+ 0 0 78 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 -0.327 70.5 58.4 -77.0 58.1 18.4 13.9 35.7 362 1160 A A T 34 S+ 0 0 33 -2,-2.5 -1,-0.3 2,-0.2 3,-0.1 0.266 115.0 28.3-155.7 -18.9 20.6 14.4 38.8 363 1161 A Y T <4 S+ 0 0 36 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.709 129.5 19.3-117.6 -49.6 22.1 17.9 37.9 364 245 A A < - 0 0 47 -4,-1.8 -1,-0.3 1,-0.1 3,-0.3 -0.998 63.9-142.9-135.4 128.3 19.5 19.7 35.7 365 246 A S S S+ 0 0 74 -2,-0.4 2,-1.3 1,-0.2 3,-0.5 0.914 97.6 45.4 -51.6 -61.0 15.7 18.8 35.5 366 247 A R S S+ 0 0 168 1,-0.2 -1,-0.2 2,-0.1 -5,-0.0 -0.646 84.8 96.3 -91.1 78.4 15.2 19.5 31.7 367 248 A S S S+ 0 0 27 -2,-1.3 -7,-0.4 -3,-0.3 -1,-0.2 0.227 83.7 43.6-145.1 5.8 18.4 17.7 30.4 368 249 A S S > S+ 0 0 39 -3,-0.5 4,-2.1 -9,-0.1 -2,-0.1 0.664 114.8 44.8-116.2 -46.8 16.9 14.3 29.4 369 250 A E H > S+ 0 0 74 -4,-0.3 4,-1.6 2,-0.2 67,-0.1 0.888 118.5 45.7 -67.2 -39.4 13.7 15.3 27.7 370 251 A N H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.804 113.0 51.1 -71.0 -33.4 15.7 18.0 25.8 371 252 A V H > S+ 0 0 41 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.832 110.1 49.3 -71.1 -36.4 18.4 15.4 25.0 372 253 A A H X S+ 0 0 38 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.813 110.7 50.6 -72.3 -34.0 15.6 13.0 23.7 373 254 A L H X S+ 0 0 5 -4,-1.6 4,-4.0 2,-0.2 5,-0.3 0.949 105.0 55.9 -68.5 -49.0 14.2 15.8 21.5 374 255 A L H X S+ 0 0 28 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.906 110.5 46.2 -48.3 -49.4 17.6 16.7 20.0 375 256 A K H X S+ 0 0 111 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.950 119.7 39.0 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