==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 16-APR-10 3MLG . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN, LINKER, PUTATIV . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR N.P.KING,M.R.SAWAYA,A.W.JACOBITZ,T.O.YEATES . 322 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 82.6 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 241 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 3 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 8 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 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 13 A N > 0 0 136 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -55.4 -19.8 -9.0 22.3 2 14 A P H > + 0 0 57 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.906 360.0 41.1 -55.5 -41.5 -15.9 -8.3 22.6 3 15 A L H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.864 113.6 54.4 -70.7 -37.6 -15.8 -7.7 18.8 4 16 A D H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.885 111.8 44.5 -62.2 -41.0 -19.1 -5.7 19.0 5 17 A K H X S+ 0 0 84 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.840 109.9 54.3 -73.7 -37.3 -17.6 -3.4 21.7 6 18 A W H X S+ 0 0 5 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.938 108.6 50.1 -62.7 -43.2 -14.3 -3.0 19.8 7 19 A N H X S+ 0 0 24 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.921 111.1 48.7 -61.3 -43.4 -16.3 -1.9 16.7 8 20 A D H X S+ 0 0 59 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.934 113.9 46.1 -60.1 -48.9 -18.3 0.7 18.9 9 21 A I H X S+ 0 0 62 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.859 113.8 49.8 -62.8 -37.0 -15.0 2.0 20.4 10 22 A I H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.940 116.8 39.1 -68.2 -47.5 -13.3 2.2 16.9 11 23 A F H < S+ 0 0 53 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.579 120.2 45.9 -80.8 -11.2 -16.2 4.1 15.3 12 24 A H H < S+ 0 0 154 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.595 91.9 89.4-110.5 -9.9 -16.9 6.3 18.3 13 25 A A S < S- 0 0 24 -4,-1.3 5,-0.0 -5,-0.2 65,-0.0 -0.342 97.5 -73.8 -77.1 162.8 -13.3 7.4 19.3 14 26 A S > - 0 0 67 1,-0.1 4,-2.1 63,-0.1 5,-0.3 -0.259 44.1-115.5 -59.0 145.3 -11.8 10.6 17.7 15 27 A K H > S+ 0 0 125 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.846 116.1 53.7 -49.8 -40.7 -10.8 10.1 14.0 16 28 A K H > S+ 0 0 109 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 109.6 45.9 -63.4 -46.6 -7.1 10.7 15.0 17 29 A L H > S+ 0 0 34 -3,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.881 114.6 45.8 -67.7 -40.3 -7.1 8.0 17.7 18 30 A S H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.771 112.0 52.7 -72.4 -29.6 -8.9 5.3 15.6 19 31 A K H X S+ 0 0 32 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.915 109.9 47.1 -72.0 -44.0 -6.6 6.0 12.6 20 32 A K H X S+ 0 0 121 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.916 115.4 47.7 -62.1 -42.8 -3.4 5.6 14.7 21 33 A E H X S+ 0 0 8 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.908 113.0 45.4 -67.4 -45.5 -4.8 2.3 16.2 22 34 A L H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.893 113.5 51.0 -65.8 -39.7 -5.9 0.8 12.8 23 35 A E H X S+ 0 0 49 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.900 107.7 53.8 -63.6 -37.4 -2.6 1.8 11.2 24 36 A R H X S+ 0 0 87 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.909 110.5 46.1 -60.5 -48.6 -0.7 0.1 14.2 25 37 A L H X S+ 0 0 19 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.837 112.1 51.7 -62.4 -36.1 -2.7 -3.2 13.6 26 38 A L H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.908 109.4 48.3 -68.8 -44.4 -2.0 -2.9 9.8 27 39 A E H X S+ 0 0 94 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.894 111.1 51.9 -60.0 -42.6 1.8 -2.5 10.3 28 40 A L H X S+ 0 0 39 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.892 111.2 47.5 -63.5 -39.9 1.8 -5.5 12.7 29 41 A L H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.904 112.7 47.6 -65.6 -46.0 -0.0 -7.5 10.0 30 42 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.908 114.2 48.7 -62.6 -41.4 2.5 -6.4 7.3 31 43 A L H X S+ 0 0 26 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.910 113.3 45.6 -62.7 -49.2 5.4 -7.2 9.8 32 44 A L H X S+ 0 0 4 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.923 114.4 47.2 -62.6 -48.4 4.0 -10.7 10.7 33 45 A E H X S+ 0 0 35 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.838 112.6 49.4 -61.9 -40.4 3.3 -11.7 7.0 34 46 A T H X S+ 0 0 7 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.890 109.5 52.8 -66.8 -40.8 6.7 -10.5 5.8 35 47 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.917 106.9 52.6 -58.4 -46.1 8.3 -12.5 8.7 36 48 A I H <>S+ 0 0 7 -4,-2.1 5,-3.5 2,-0.2 6,-0.4 0.887 114.6 41.9 -55.9 -45.6 6.4 -15.7 7.5 37 49 A E H ><5S+ 0 0 84 -4,-1.7 3,-1.5 3,-0.2 -2,-0.2 0.924 113.2 51.1 -69.0 -47.5 7.7 -15.2 3.9 38 50 A K H 3<5S+ 0 0 112 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.818 116.7 42.4 -58.9 -32.8 11.3 -14.3 5.0 39 51 A E T 3<5S- 0 0 86 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.395 113.5-125.7 -91.9 -1.3 11.2 -17.5 7.2 40 52 A D T < 5 + 0 0 108 -3,-1.5 -3,-0.2 -5,-0.1 4,-0.2 0.807 69.2 131.3 57.2 40.8 9.5 -19.3 4.2 41 53 A L >< + 0 0 23 -5,-3.5 4,-2.4 1,-0.1 5,-0.2 0.234 24.9 116.4-104.1 13.0 6.5 -20.5 6.3 42 54 A E H > S+ 0 0 69 -6,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.883 82.0 38.2 -47.6 -58.7 3.7 -19.5 3.8 43 55 A E H > S+ 0 0 128 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 115.1 53.8 -63.4 -43.0 2.4 -23.0 3.1 44 56 A K H > S+ 0 0 117 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.816 109.6 49.7 -61.5 -33.6 2.9 -24.1 6.8 45 57 A F H X S+ 0 0 20 -4,-2.4 4,-3.0 2,-0.2 3,-0.2 0.864 109.8 51.0 -72.0 -38.7 0.8 -21.1 7.9 46 58 A E H X S+ 0 0 118 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.896 108.8 49.3 -65.8 -41.0 -2.0 -21.9 5.4 47 59 A S H < S+ 0 0 85 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.647 115.6 46.4 -71.7 -16.4 -2.2 -25.6 6.6 48 60 A F H < S+ 0 0 14 -4,-0.5 3,-0.5 -3,-0.2 4,-0.3 0.888 113.9 46.2 -85.7 -50.0 -2.5 -24.1 10.1 49 61 A A H >< S+ 0 0 16 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.746 106.7 59.2 -63.6 -32.2 -5.1 -21.4 9.1 50 62 A K G >< S+ 0 0 60 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.844 92.7 67.6 -66.6 -36.5 -7.2 -24.0 7.2 51 63 A A G >> S+ 0 0 41 -3,-0.5 3,-1.2 -4,-0.4 4,-0.5 0.638 79.8 80.0 -58.6 -19.5 -7.7 -26.1 10.4 52 64 A L G <4 S+ 0 0 20 -3,-0.8 3,-0.3 -4,-0.3 -1,-0.3 0.756 86.4 59.0 -60.5 -27.7 -9.8 -23.3 11.9 53 65 A R G <4 S+ 0 0 95 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.738 121.5 22.7 -73.0 -25.9 -12.8 -24.6 9.8 54 66 A I T <4 S+ 0 0 100 -3,-1.2 2,-0.4 -4,-0.3 -2,-0.2 0.097 102.8 89.0-133.3 26.5 -12.6 -28.1 11.5 55 67 A D X - 0 0 60 -4,-0.5 4,-2.0 -3,-0.3 5,-0.1 -0.972 42.4-172.0-133.1 120.6 -10.8 -27.7 15.0 56 68 A E H > S+ 0 0 80 -2,-0.4 4,-1.7 2,-0.2 5,-0.2 0.874 91.6 53.3 -70.6 -43.0 -12.5 -26.9 18.3 57 69 A E H > S+ 0 0 122 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.844 113.5 43.7 -61.1 -40.1 -9.1 -26.5 20.2 58 70 A L H > S+ 0 0 17 2,-0.2 4,-1.7 -7,-0.2 5,-0.2 0.939 108.5 56.5 -72.2 -49.4 -7.9 -23.9 17.6 59 71 A Q H X S+ 0 0 88 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.830 111.2 44.3 -50.8 -42.0 -11.3 -22.0 17.4 60 72 A Q H X S+ 0 0 41 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.902 111.6 52.5 -69.6 -46.5 -11.2 -21.3 21.2 61 73 A K H X S+ 0 0 74 -4,-1.5 4,-0.9 1,-0.2 -2,-0.2 0.714 115.4 42.3 -62.6 -26.5 -7.5 -20.3 21.2 62 74 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.887 111.3 52.6 -86.0 -46.3 -8.2 -17.8 18.4 63 75 A E H X S+ 0 0 93 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.895 112.8 48.7 -54.9 -41.1 -11.5 -16.4 19.9 64 76 A S H X S+ 0 0 65 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.850 110.6 47.9 -67.8 -42.6 -9.4 -15.9 23.1 65 77 A R H X S+ 0 0 55 -4,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.790 107.9 56.5 -70.9 -27.2 -6.5 -14.1 21.3 66 78 A K H X S+ 0 0 38 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.939 105.9 50.8 -66.5 -44.4 -8.9 -11.8 19.4 67 79 A T H X S+ 0 0 43 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.913 110.9 49.0 -59.4 -42.3 -10.4 -10.7 22.9 68 80 A D H X S+ 0 0 94 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.895 111.6 48.2 -62.5 -43.9 -6.8 -9.9 24.1 69 81 A I H X S+ 0 0 13 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.906 112.4 49.9 -59.9 -46.8 -6.1 -7.9 20.8 70 82 A V H X S+ 0 0 4 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.883 110.8 49.5 -60.0 -41.8 -9.4 -6.0 21.3 71 83 A I H X S+ 0 0 112 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.929 112.6 46.3 -67.2 -45.6 -8.4 -5.3 24.9 72 84 A Q H X S+ 0 0 103 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.940 113.9 50.0 -59.0 -47.1 -5.0 -4.0 23.9 73 85 A S H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.907 112.6 45.2 -55.1 -50.0 -6.7 -1.9 21.1 74 86 A M H X S+ 0 0 41 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.812 111.7 53.3 -65.1 -37.8 -9.3 -0.4 23.5 75 87 A A H X S+ 0 0 48 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.918 106.5 53.6 -64.8 -41.3 -6.6 0.3 26.0 76 88 A N H X S+ 0 0 47 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.900 105.9 51.7 -59.9 -46.7 -4.5 2.2 23.3 77 89 A I H < S+ 0 0 20 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.870 111.2 47.7 -57.9 -40.4 -7.4 4.5 22.4 78 90 A L H < S+ 0 0 153 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.830 104.2 61.9 -69.6 -35.9 -7.9 5.5 26.1 79 91 A S H < 0 0 109 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.730 360.0 360.0 -61.3 -31.6 -4.2 6.2 26.6 80 92 A G < 0 0 52 -4,-0.9 -1,-0.1 -3,-0.4 -3,-0.1 -0.099 360.0 360.0 89.2 360.0 -4.1 9.0 24.0 81 ! 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 82 101 A G > 0 0 70 0, 0.0 4,-2.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-169.7 0.7 8.5 3.5 83 102 A N H > + 0 0 80 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.866 360.0 50.2 -51.5 -50.5 -1.9 8.5 0.6 84 103 A P H > S+ 0 0 21 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.908 117.1 42.1 -56.6 -42.8 -2.7 4.7 0.5 85 104 A L H > S+ 0 0 19 2,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.845 113.8 52.0 -72.0 -34.8 -3.3 4.6 4.3 86 105 A D H X S+ 0 0 64 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.919 111.9 46.7 -65.6 -44.4 -5.2 7.9 4.3 87 106 A K H X S+ 0 0 47 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.894 110.5 52.4 -65.2 -42.3 -7.5 6.5 1.5 88 107 A W H X S+ 0 0 4 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.880 109.2 50.3 -60.3 -41.1 -8.0 3.2 3.4 89 108 A N H X S+ 0 0 10 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.929 110.5 49.4 -63.2 -44.6 -9.0 5.2 6.5 90 109 A D H X S+ 0 0 73 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.918 115.0 45.1 -56.3 -50.3 -11.5 7.3 4.4 91 110 A I H X S+ 0 0 16 -4,-2.5 4,-1.7 2,-0.2 3,-0.3 0.890 111.7 50.6 -61.5 -49.5 -13.0 4.0 2.9 92 111 A I H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.908 116.0 42.6 -58.1 -44.4 -13.2 2.2 6.3 93 112 A F H < S+ 0 0 52 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.657 120.5 39.8 -80.5 -15.1 -15.0 5.1 7.9 94 113 A H H < S+ 0 0 160 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.528 93.2 103.6-109.4 -10.2 -17.4 5.9 5.0 95 114 A A S < S- 0 0 26 -4,-1.7 2,-0.1 1,-0.2 229,-0.0 -0.130 94.6 -71.3 -64.7 164.8 -18.3 2.3 3.9 96 115 A S >> - 0 0 67 1,-0.2 4,-2.0 63,-0.1 3,-0.7 -0.433 49.7-127.5 -57.3 124.6 -21.5 0.5 4.7 97 116 A K H 3> S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.773 109.3 55.5 -52.8 -29.3 -21.1 -0.0 8.5 98 117 A K H 3> S+ 0 0 156 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 109.6 46.6 -67.3 -43.1 -21.9 -3.8 8.0 99 118 A L H <> S+ 0 0 32 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.869 112.1 48.2 -71.4 -37.8 -19.1 -4.1 5.4 100 119 A S H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.843 111.2 51.7 -71.6 -33.8 -16.4 -2.2 7.4 101 120 A K H X S+ 0 0 57 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.938 111.0 46.4 -67.1 -48.0 -17.2 -4.4 10.5 102 121 A K H X S+ 0 0 156 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.907 116.3 47.5 -60.3 -40.8 -16.8 -7.7 8.6 103 122 A E H X S+ 0 0 6 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.927 112.0 46.6 -68.0 -48.2 -13.6 -6.3 7.1 104 123 A L H X S+ 0 0 3 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.888 113.4 50.7 -62.3 -37.2 -12.1 -5.1 10.4 105 124 A E H X S+ 0 0 67 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.871 106.9 54.6 -64.9 -39.4 -13.0 -8.5 12.0 106 125 A R H X S+ 0 0 78 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.903 109.2 46.8 -60.6 -45.4 -11.3 -10.4 9.1 107 126 A L H X S+ 0 0 18 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.859 111.7 52.3 -64.1 -36.5 -8.1 -8.4 9.7 108 127 A L H X S+ 0 0 9 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.911 109.2 48.5 -65.8 -47.0 -8.4 -9.1 13.5 109 128 A E H X S+ 0 0 72 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.922 111.7 49.9 -56.6 -50.4 -8.8 -12.9 12.9 110 129 A L H X S+ 0 0 34 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.892 111.4 48.8 -56.9 -45.0 -5.8 -13.0 10.6 111 130 A L H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.932 112.1 48.3 -61.9 -46.5 -3.7 -11.1 13.2 112 131 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.867 113.2 49.6 -61.8 -37.5 -4.8 -13.6 15.9 113 132 A L H X S+ 0 0 10 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.932 111.0 47.5 -66.8 -48.5 -4.0 -16.5 13.5 114 133 A L H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.887 113.3 47.4 -60.4 -44.1 -0.4 -15.2 12.7 115 134 A E H X S+ 0 0 38 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.786 112.9 48.7 -68.0 -34.4 0.5 -14.5 16.3 116 135 A T H X S+ 0 0 20 -4,-1.3 4,-2.3 -5,-0.2 -2,-0.2 0.845 111.3 51.1 -73.0 -38.0 -0.8 -18.0 17.4 117 136 A F H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.958 108.2 51.7 -61.9 -53.7 1.2 -19.6 14.5 118 137 A I H <>S+ 0 0 8 -4,-2.3 5,-3.1 1,-0.2 6,-0.4 0.876 114.0 44.0 -47.4 -51.3 4.4 -17.8 15.6 119 138 A E H ><5S+ 0 0 84 -4,-1.5 3,-1.0 3,-0.2 -1,-0.2 0.903 113.6 48.3 -65.7 -45.9 4.0 -19.1 19.2 120 139 A K H 3<5S+ 0 0 131 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.886 115.9 45.8 -59.7 -42.6 3.1 -22.7 18.3 121 140 A E T 3<5S- 0 0 64 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.472 112.0-126.9 -79.6 -5.1 6.1 -22.7 15.9 122 141 A D T < 5 + 0 0 123 -3,-1.0 3,-0.3 -4,-0.3 4,-0.2 0.829 67.6 134.4 57.4 40.9 8.2 -21.1 18.7 123 142 A L >< + 0 0 24 -5,-3.1 4,-2.8 1,-0.2 5,-0.2 0.211 28.1 111.7-100.5 14.0 9.4 -18.2 16.4 124 143 A E H > S+ 0 0 61 -6,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.891 83.6 39.2 -53.6 -48.4 8.7 -15.5 19.1 125 144 A E H > S+ 0 0 129 -3,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.893 114.4 53.1 -70.8 -45.1 12.5 -14.7 19.5 126 145 A K H 4 S+ 0 0 47 -4,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.871 110.1 49.9 -57.8 -40.7 13.2 -15.1 15.7 127 146 A F H X S+ 0 0 33 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.811 112.2 46.3 -66.5 -39.2 10.3 -12.5 15.1 128 147 A E H >X S+ 0 0 122 -4,-1.3 4,-1.5 2,-0.2 3,-0.5 0.945 112.5 49.7 -67.2 -51.0 11.8 -10.1 17.7 129 148 A S H 3< S+ 0 0 60 -4,-3.1 4,-0.5 1,-0.2 -2,-0.2 0.509 109.0 55.1 -65.8 -7.8 15.3 -10.5 16.2 130 149 A F H 34 S+ 0 0 7 -4,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 0.767 111.9 41.0 -90.8 -38.0 13.7 -9.8 12.8 131 150 A A H 4 S+ 0 0 32 2,-0.2 3,-1.3 1,-0.2 7,-0.2 0.878 81.3 56.0 -71.2 -45.9 14.4 -4.1 10.8 135 154 A R T 3< S+ 0 0 80 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.902 109.2 46.0 -53.7 -49.3 15.5 -0.5 11.7 136 155 A I T 3 S+ 0 0 158 -4,-0.3 2,-0.6 1,-0.1 -1,-0.3 0.362 100.4 82.4 -76.0 0.7 18.9 -0.8 10.0 137 156 A D <> + 0 0 47 -3,-1.3 4,-1.6 1,-0.2 -1,-0.1 -0.838 44.9 166.7-115.1 88.3 17.2 -2.5 7.0 138 157 A E H > S+ 0 0 66 -2,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.824 82.5 57.7 -67.0 -32.5 15.7 0.3 4.7 139 158 A E H >> S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 3,-0.5 0.969 109.5 42.0 -59.0 -57.9 15.2 -2.5 2.0 140 159 A L H 3> S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.779 110.2 58.6 -62.2 -30.5 13.0 -4.6 4.4 141 160 A Q H 3X S+ 0 0 106 -4,-1.6 4,-1.9 -7,-0.2 -1,-0.2 0.858 106.9 47.5 -66.3 -39.1 11.2 -1.3 5.5 142 161 A Q H < S+ 0 0 16 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.926 114.6 47.4 -60.9 -45.3 -15.6 -3.7 0.8 160 179 A L H 3< S+ 0 0 47 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.868 107.5 57.4 -64.0 -35.3 -16.2 -3.2 -3.0 161 180 A S H 3< 0 0 105 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.734 360.0 360.0 -63.9 -28.2 -17.0 -7.0 -3.4 162 181 A G << 0 0 74 -4,-1.1 -63,-0.1 -3,-0.7 -1,-0.1 -0.556 360.0 360.0 -70.4 360.0 -19.9 -6.7 -0.7 163 !* 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 0.0 164 13 B N > 0 0 134 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -54.9 -19.9 9.0 -28.8 165 14 B P H > + 0 0 60 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.904 360.0 41.2 -56.2 -40.8 -16.1 8.3 -29.0 166 15 B L H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.867 113.4 54.4 -71.4 -36.7 -15.9 7.7 -25.2 167 16 B D H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.881 111.7 44.7 -62.3 -40.9 -19.3 5.7 -25.4 168 17 B K H X S+ 0 0 85 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.841 109.7 54.3 -73.3 -37.6 -17.7 3.5 -28.1 169 18 B W H X S+ 0 0 4 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.938 108.7 50.0 -63.2 -42.8 -14.4 3.1 -26.2 170 19 B N H X S+ 0 0 25 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.921 111.1 48.9 -61.1 -43.5 -16.5 1.9 -23.2 171 20 B D H X S+ 0 0 59 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.932 113.7 46.1 -60.0 -49.0 -18.4 -0.7 -25.4 172 21 B I H X S+ 0 0 62 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.862 113.6 50.2 -62.6 -37.8 -15.1 -2.0 -26.9 173 22 B I H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.940 116.9 38.6 -66.8 -48.0 -13.5 -2.2 -23.4 174 23 B F H < S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.578 120.6 45.5 -81.5 -10.8 -16.4 -4.1 -21.8 175 24 B H H < S+ 0 0 153 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.586 91.8 89.1-111.4 -9.8 -17.1 -6.3 -24.8 176 25 B A S < S- 0 0 25 -4,-1.3 5,-0.0 1,-0.2 64,-0.0 -0.342 98.5 -72.2 -76.6 164.3 -13.5 -7.4 -25.8 177 26 B S > - 0 0 66 1,-0.1 4,-2.1 63,-0.1 5,-0.3 -0.273 44.8-116.3 -59.5 144.5 -12.0 -10.6 -24.3 178 27 B K H > S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.848 115.6 53.5 -50.0 -39.9 -11.1 -10.1 -20.6 179 28 B K H > S+ 0 0 126 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 109.5 46.2 -63.8 -46.8 -7.4 -10.7 -21.5 180 29 B L H > S+ 0 0 33 -3,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.880 114.1 46.3 -67.5 -39.5 -7.3 -8.0 -24.2 181 30 B S H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.767 111.7 53.0 -72.2 -29.6 -9.1 -5.3 -22.1 182 31 B K H X S+ 0 0 50 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.912 109.4 47.4 -71.5 -44.3 -6.9 -6.1 -19.1 183 32 B K H X S+ 0 0 120 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.911 115.0 48.0 -62.4 -41.9 -3.6 -5.7 -21.1 184 33 B E H X S+ 0 0 6 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.911 112.8 45.6 -67.8 -45.0 -5.0 -2.4 -22.6 185 34 B L H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.895 113.4 51.0 -65.9 -39.2 -6.1 -0.9 -19.2 186 35 B E H X S+ 0 0 47 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.899 107.7 53.9 -64.1 -37.2 -2.7 -1.9 -17.7 187 36 B R H X S+ 0 0 83 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.909 110.2 46.3 -60.7 -48.8 -0.9 -0.2 -20.6 188 37 B L H X S+ 0 0 20 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.827 111.9 52.0 -62.4 -36.0 -2.8 3.1 -19.9 189 38 B L H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.913 109.4 48.0 -69.0 -44.1 -2.1 2.8 -16.2 190 39 B E H X S+ 0 0 93 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.893 111.3 52.0 -60.6 -41.8 1.7 2.3 -16.7 191 40 B L H X S+ 0 0 39 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.893 111.0 47.7 -63.8 -39.6 1.6 5.4 -19.1 192 41 B L H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.901 112.6 47.6 -66.4 -45.7 -0.2 7.4 -16.4 193 42 B A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.914 114.2 48.8 -62.3 -41.5 2.4 6.3 -13.7 194 43 B L H X S+ 0 0 25 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.910 113.4 45.7 -62.7 -48.9 5.2 7.1 -16.2 195 44 B L H X S+ 0 0 3 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.924 114.3 47.0 -62.4 -48.6 3.8 10.6 -17.0 196 45 B E H X S+ 0 0 35 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.838 112.8 49.4 -62.0 -40.4 3.1 11.6 -13.4 197 46 B T H X S+ 0 0 9 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.889 109.6 52.8 -66.5 -41.0 6.6 10.4 -12.3 198 47 B F H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.917 106.8 52.5 -58.5 -46.2 8.2 12.4 -15.1 199 48 B I H <>S+ 0 0 7 -4,-2.1 5,-3.4 2,-0.2 6,-0.4 0.888 114.6 42.1 -55.8 -45.8 6.3 15.5 -13.9 200 49 B E H ><5S+ 0 0 84 -4,-1.7 3,-1.6 3,-0.2 -2,-0.2 0.927 113.2 51.1 -68.4 -47.6 7.7 15.1 -10.4 201 50 B K H 3<5S+ 0 0 70 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.812 116.7 42.2 -58.9 -32.4 11.2 14.1 -11.6 202 51 B E T 3<5S- 0 0 89 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.393 113.5-125.7 -92.7 -1.1 11.1 17.3 -13.7 203 52 B D T < 5 + 0 0 109 -3,-1.6 -3,-0.2 -5,-0.1 4,-0.2 0.803 69.2 131.0 57.4 40.8 9.4 19.2 -10.7 204 53 B L >< + 0 0 26 -5,-3.4 4,-2.4 1,-0.1 5,-0.2 0.243 24.9 116.4-104.7 12.9 6.4 20.4 -12.8 205 54 B E H > S+ 0 0 69 -6,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.881 82.2 38.2 -47.4 -58.6 3.6 19.4 -10.3 206 55 B E H > S+ 0 0 130 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 115.2 53.8 -63.5 -42.5 2.3 22.9 -9.5 207 56 B K H > S+ 0 0 43 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.814 109.5 49.8 -62.0 -33.3 2.7 24.0 -13.2 208 57 B F H X S+ 0 0 28 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.864 109.7 51.0 -72.2 -38.7 0.6 21.0 -14.3 209 58 B E H X S+ 0 0 57 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.899 109.1 49.1 -65.8 -41.5 -2.1 21.9 -11.7 210 59 B S H < S+ 0 0 88 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.649 115.6 46.4 -71.7 -16.3 -2.3 25.5 -12.9 211 60 B F H < S+ 0 0 13 -4,-0.6 3,-0.5 -3,-0.2 4,-0.3 0.891 113.9 46.2 -85.8 -50.0 -2.6 24.1 -16.5 212 61 B A H >< S+ 0 0 27 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.746 106.7 59.2 -63.7 -32.0 -5.2 21.4 -15.5 213 62 B K G >< S+ 0 0 69 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.840 92.7 67.5 -66.7 -36.0 -7.3 23.9 -13.6 214 63 B A G > S+ 0 0 40 -3,-0.5 3,-1.2 -4,-0.4 4,-0.5 0.648 80.2 79.6 -58.9 -19.9 -7.8 26.1 -16.8 215 64 B L G < S+ 0 0 20 -3,-0.8 3,-0.3 -4,-0.3 -1,-0.3 0.754 86.6 59.1 -60.3 -27.7 -9.9 23.2 -18.3 216 65 B R G < S+ 0 0 95 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.736 121.4 22.9 -73.1 -25.9 -12.9 24.5 -16.2 217 66 B I S < S+ 0 0 100 -3,-1.2 2,-0.4 -4,-0.3 -2,-0.2 0.097 102.9 88.6-133.1 26.5 -12.7 28.0 -17.9 218 67 B D > - 0 0 60 -4,-0.5 4,-2.0 -3,-0.3 5,-0.1 -0.972 42.4-172.0-133.5 120.7 -10.9 27.7 -21.3 219 68 B E H > S+ 0 0 77 -2,-0.4 4,-1.7 2,-0.2 5,-0.2 0.874 91.7 53.3 -70.7 -42.8 -12.7 26.9 -24.7 220 69 B E H > S+ 0 0 117 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.842 113.3 43.9 -61.3 -39.7 -9.3 26.4 -26.6 221 70 B L H > S+ 0 0 18 2,-0.2 4,-1.7 -7,-0.2 -2,-0.2 0.939 108.4 56.7 -72.2 -49.4 -8.1 23.9 -24.0 222 71 B Q H X S+ 0 0 94 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.833 111.3 44.0 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51.5 -65.9 -46.2 -6.0 7.6 -27.1 233 82 B V H X S+ 0 0 6 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.841 109.0 52.1 -56.9 -38.1 -9.4 5.9 -27.8 234 83 B I H X S+ 0 0 106 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.930 108.6 48.0 -67.7 -48.7 -8.1 5.1 -31.3 235 84 B Q H X S+ 0 0 109 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.896 110.0 55.3 -56.6 -41.7 -4.9 3.5 -30.1 236 85 B S H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.920 109.9 43.4 -54.8 -54.7 -6.9 1.4 -27.6 237 86 B M H X S+ 0 0 52 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.861 114.3 51.7 -62.5 -38.1 -9.2 -0.0 -30.3 238 87 B A H X S+ 0 0 46 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.879 110.7 48.6 -67.7 -37.0 -6.2 -0.7 -32.5 239 88 B N H X S+ 0 0 54 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.941 110.6 49.0 -68.0 -48.0 -4.3 -2.5 -29.6 240 89 B I H < S+ 0 0 22 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.868 114.0 47.8 -58.9 -38.2 -7.3 -4.7 -28.8 241 90 B L H < S+ 0 0 152 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.833 104.0 61.6 -69.1 -39.2 -7.6 -5.6 -32.6 242 91 B S H < 0 0 105 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.731 360.0 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360.0 77.8 360.0 -20.0 6.4 -5.6