==== 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 HYDROLASE 17-JUL-09 3IBX . COMPND 2 MOLECULE: PUTATIVE THIAMINASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR N.BARISON,L.CENDRON,A.TRENTO,A.ANGELINI,G.ZANOTTI . 437 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20607.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 75.7 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 3 3 3 0 0 0 0 0 1 2 2 4 0 0 0 0 1 0 0 0 1 1 2 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 -3 A D 0 0 149 0, 0.0 2,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 156.4 120.2 36.6 61.6 2 -2 A P + 0 0 120 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.863 360.0 52.8-101.6 7.7 119.7 39.4 63.2 3 -1 A F S S+ 0 0 196 -2,-0.1 2,-0.3 2,-0.1 0, 0.0 0.390 98.7 94.6 -74.3 -0.1 122.8 40.0 65.4 4 0 A T S S- 0 0 67 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.760 89.4 -99.9-100.8 144.0 124.7 39.6 62.2 5 1 A M - 0 0 112 -2,-0.3 2,-0.6 -4,-0.1 -1,-0.1 -0.328 30.5-145.5 -55.4 128.2 125.8 42.4 59.8 6 2 A Q > - 0 0 89 1,-0.1 4,-1.7 -4,-0.1 3,-0.3 -0.927 2.0-153.0 -97.7 120.5 123.5 42.7 56.8 7 3 A V H > S+ 0 0 10 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.836 92.6 57.5 -65.8 -32.2 125.5 43.7 53.7 8 4 A S H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.880 107.8 47.9 -63.5 -38.0 122.6 45.5 52.0 9 5 A Q H > S+ 0 0 90 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.868 110.3 52.9 -69.7 -37.3 122.2 47.8 55.0 10 6 A Y H X S+ 0 0 72 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.912 111.9 44.4 -62.8 -44.7 125.9 48.4 55.0 11 7 A L H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.934 111.7 54.7 -65.3 -46.1 125.8 49.4 51.3 12 8 A Y H >X S+ 0 0 58 -4,-2.7 3,-1.3 1,-0.2 4,-0.8 0.939 107.2 49.0 -49.5 -54.9 122.6 51.5 52.0 13 9 A Q H >< S+ 0 0 124 -4,-2.6 3,-0.8 1,-0.3 4,-0.4 0.872 109.1 52.8 -57.7 -38.8 124.3 53.6 54.7 14 10 A N H 3< S+ 0 0 65 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.645 112.0 46.4 -72.5 -14.5 127.4 54.3 52.6 15 11 A A H S+ 0 0 89 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.898 113.8 47.1 -54.6 -41.7 124.7 61.1 51.3 18 14 A I H > S+ 0 0 28 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.917 111.7 47.8 -69.0 -44.2 124.7 60.5 47.6 19 15 A W H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.808 108.3 56.9 -68.9 -28.2 121.1 59.6 47.3 20 16 A G H X S+ 0 0 31 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.890 105.3 50.9 -63.9 -41.4 120.2 62.6 49.4 21 17 A D H < S+ 0 0 81 -4,-1.6 4,-0.2 2,-0.2 -2,-0.2 0.814 109.5 51.2 -64.6 -31.2 122.1 64.7 46.8 22 18 A C H >< S+ 0 0 0 -4,-1.4 3,-1.2 2,-0.2 6,-0.3 0.938 107.3 52.9 -70.7 -46.6 119.9 63.0 44.1 23 19 A I H 3< S+ 0 0 30 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.894 115.1 39.8 -52.8 -46.1 116.7 63.8 46.0 24 20 A S T 3< S+ 0 0 80 -4,-2.0 -1,-0.2 4,-0.1 -2,-0.2 0.327 86.8 122.8 -94.2 9.4 117.5 67.5 46.2 25 21 A H S <> S- 0 0 7 -3,-1.2 4,-3.0 -4,-0.2 5,-0.3 -0.442 73.1-119.2 -65.5 141.0 119.0 67.8 42.7 26 22 A P H > S+ 0 0 67 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.842 112.1 52.9 -53.9 -39.1 117.2 70.4 40.5 27 23 A F H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 9,-0.1 0.926 114.7 39.9 -61.0 -47.9 116.1 67.8 38.0 28 24 A V H > S+ 0 0 0 -6,-0.3 4,-2.1 -3,-0.3 3,-0.3 0.894 115.2 50.7 -72.5 -41.9 114.5 65.5 40.6 29 25 A Q H X S+ 0 0 30 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.832 105.3 60.4 -62.2 -31.7 113.0 68.4 42.6 30 26 A G H X>S+ 0 0 4 -4,-1.7 4,-2.1 -5,-0.3 6,-1.5 0.857 105.0 47.2 -61.9 -38.1 111.6 69.6 39.3 31 27 A I H <5S+ 0 0 1 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.937 110.8 52.1 -67.8 -48.3 109.7 66.3 38.9 32 28 A G H <5S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.895 120.1 31.9 -54.5 -49.5 108.4 66.5 42.5 33 29 A R H <5S- 0 0 135 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.921 107.4-120.8 -75.4 -47.5 107.0 70.0 42.3 34 30 A G T <5S+ 0 0 12 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.444 82.1 110.7 116.8 9.5 106.0 69.8 38.5 35 31 A T < + 0 0 104 -5,-0.7 -4,-0.2 -6,-0.3 -5,-0.1 0.577 35.1 125.1 -92.9 -12.7 108.2 72.7 37.4 36 32 A L S S- 0 0 4 -6,-1.5 5,-0.1 -9,-0.1 -9,-0.1 -0.311 74.2-104.8 -57.3 121.7 110.8 70.7 35.4 37 33 A E >> - 0 0 85 1,-0.1 4,-1.4 -2,-0.1 3,-1.2 -0.199 28.1-129.6 -54.0 128.4 111.0 72.1 31.8 38 34 A R H 3> S+ 0 0 129 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.735 103.9 52.0 -62.6 -31.0 109.3 69.6 29.6 39 35 A D H 3> S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.743 105.1 57.4 -77.3 -23.0 112.0 69.3 26.9 40 36 A K H <> S+ 0 0 34 -3,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.873 108.3 46.9 -68.2 -38.4 114.6 68.6 29.7 41 37 A F H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.882 109.6 54.1 -68.4 -39.7 112.4 65.7 30.7 42 38 A R H X S+ 0 0 63 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.937 107.7 49.6 -57.4 -50.6 112.1 64.6 27.0 43 39 A F H X S+ 0 0 59 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.904 111.5 51.4 -53.3 -45.6 115.9 64.5 26.7 44 40 A Y H X S+ 0 0 2 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.908 107.3 49.5 -59.1 -47.3 116.0 62.4 29.9 45 41 A I H X S+ 0 0 4 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.818 110.8 50.7 -73.7 -26.2 113.5 59.8 28.8 46 42 A I H X S+ 0 0 18 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.945 114.1 44.5 -64.7 -51.4 115.4 59.3 25.5 47 43 A Q H X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.887 113.1 51.8 -60.1 -39.7 118.7 58.9 27.4 48 44 A D H X S+ 0 0 3 -4,-3.0 4,-3.1 2,-0.2 -1,-0.2 0.855 105.1 54.9 -69.3 -35.3 116.9 56.6 29.9 49 45 A Y H X S+ 0 0 53 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.936 111.9 44.5 -59.0 -46.5 115.6 54.4 27.1 50 46 A L H X S+ 0 0 24 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.912 113.8 51.3 -60.8 -44.9 119.1 54.0 25.8 51 47 A Y H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.909 106.5 53.0 -57.9 -47.9 120.3 53.4 29.4 52 48 A L H X S+ 0 0 30 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.823 102.5 59.7 -61.6 -33.0 117.6 50.7 30.0 53 49 A L H X S+ 0 0 54 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.906 111.3 39.6 -60.2 -42.8 118.8 48.8 26.9 54 50 A E H X S+ 0 0 44 -4,-1.3 4,-1.0 -3,-0.3 3,-0.3 0.859 111.3 58.5 -75.6 -35.1 122.3 48.5 28.4 55 51 A Y H >X S+ 0 0 20 -4,-2.4 4,-1.6 1,-0.2 3,-0.9 0.916 100.2 57.3 -59.1 -45.7 120.8 47.8 31.9 56 52 A A H 3X S+ 0 0 6 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.851 100.3 59.1 -52.2 -36.9 118.9 44.8 30.5 57 53 A K H 3X S+ 0 0 92 -4,-0.8 4,-1.6 -3,-0.3 -1,-0.2 0.835 101.3 53.6 -65.6 -32.8 122.3 43.4 29.3 58 54 A V H S- 0 0 83 -2,-0.6 4,-2.1 1,-0.1 5,-0.2 -0.699 74.8-135.6 177.7 122.1 119.8 28.2 40.3 69 65 A E H > S+ 0 0 129 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.905 103.7 57.6 -57.4 -43.9 116.7 28.1 38.0 70 66 A A H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 110.0 42.0 -56.9 -46.5 114.7 30.3 40.3 71 67 A V H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.837 112.3 54.5 -73.9 -29.5 117.2 33.2 40.1 72 68 A M H X S+ 0 0 72 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.951 109.5 49.1 -60.1 -48.2 117.7 32.7 36.3 73 69 A R H X S+ 0 0 124 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.875 109.8 51.6 -56.8 -42.4 114.0 33.0 36.0 74 70 A E H X S+ 0 0 72 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.915 111.7 45.6 -65.4 -44.8 114.0 36.2 38.1 75 71 A F H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.897 112.1 52.3 -62.3 -41.4 116.7 37.8 36.0 76 72 A S H X S+ 0 0 56 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.920 107.9 51.9 -61.5 -44.1 114.9 36.7 32.8 77 73 A N H X S+ 0 0 89 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.865 106.2 54.4 -59.0 -37.9 111.7 38.4 34.1 78 74 A A H X S+ 0 0 19 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.893 106.2 51.7 -64.4 -41.2 113.6 41.6 34.8 79 75 A I H >X S+ 0 0 29 -4,-1.8 4,-2.6 1,-0.2 3,-0.9 0.899 107.9 52.8 -59.2 -43.7 114.8 41.7 31.2 80 76 A Q H 3X S+ 0 0 92 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.858 101.1 59.6 -61.7 -38.8 111.2 41.3 30.0 81 77 A D H 3< S+ 0 0 85 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.712 113.8 39.3 -62.3 -21.8 110.0 44.3 32.1 82 78 A I H << S+ 0 0 33 -3,-0.9 3,-0.3 -4,-0.7 -2,-0.2 0.864 129.2 26.1 -90.9 -45.4 112.5 46.4 30.1 83 79 A L H < S+ 0 0 93 -4,-2.6 -3,-0.2 1,-0.2 2,-0.2 0.867 127.8 35.1 -91.9 -42.2 112.1 44.9 26.6 84 80 A N S < S+ 0 0 119 -4,-2.1 2,-0.4 -5,-0.3 -1,-0.2 -0.403 87.1 107.9-113.6 54.4 108.5 43.5 26.4 85 81 A N > + 0 0 38 -3,-0.3 3,-1.1 -2,-0.2 6,-0.3 -0.793 28.8 168.8-137.7 90.7 106.6 45.9 28.6 86 82 A E T 3 S+ 0 0 124 -2,-0.4 -1,-0.1 1,-0.2 -5,-0.0 0.547 87.1 58.0 -75.1 -8.9 104.1 48.3 26.9 87 83 A M T 3 S+ 0 0 151 -3,-0.1 -1,-0.2 4,-0.0 5,-0.1 0.433 83.2 119.7 -95.9 -5.4 102.8 49.1 30.3 88 84 A S S <> S- 0 0 19 -3,-1.1 4,-1.0 1,-0.1 3,-0.3 -0.167 79.3-111.6 -61.5 156.1 106.3 50.2 31.5 89 85 A I H > S+ 0 0 28 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.815 115.6 54.6 -59.1 -32.6 106.9 53.8 32.7 90 86 A H H > S+ 0 0 15 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.876 103.7 50.4 -71.7 -41.3 109.0 54.5 29.7 91 87 A N H > S+ 0 0 51 -6,-0.3 4,-1.0 -3,-0.3 -1,-0.2 0.658 106.4 59.9 -72.8 -16.0 106.5 53.5 27.0 92 88 A H H X S+ 0 0 40 -4,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.926 110.4 38.2 -72.1 -48.8 104.0 55.7 28.8 93 89 A Y H X S+ 0 0 3 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.759 107.3 66.1 -76.9 -24.8 106.1 58.9 28.4 94 90 A I H <>S+ 0 0 17 -4,-1.8 5,-3.1 1,-0.2 -1,-0.2 0.918 110.2 36.5 -59.0 -44.9 107.2 57.9 24.9 95 91 A R H ><5S+ 0 0 140 -4,-1.0 3,-0.6 3,-0.2 -2,-0.2 0.776 115.2 55.6 -79.3 -27.1 103.6 58.2 23.6 96 92 A E H 3<5S+ 0 0 113 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.838 115.6 37.3 -73.9 -34.7 102.9 61.2 25.8 97 93 A L T 3<5S- 0 0 28 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.193 110.7-127.7 -95.1 13.9 105.9 63.2 24.4 98 94 A Q T < 5 - 0 0 168 -3,-0.6 2,-0.5 1,-0.2 -3,-0.2 0.843 39.8-178.9 35.5 52.4 105.0 61.6 21.0 99 95 A I < - 0 0 12 -5,-3.1 -1,-0.2 -6,-0.2 2,-0.1 -0.681 21.3-128.6 -81.2 125.2 108.6 60.4 20.6 100 96 A T > - 0 0 79 -2,-0.5 4,-1.6 1,-0.1 5,-0.1 -0.357 10.0-124.9 -76.5 153.8 109.1 58.6 17.2 101 97 A Q H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.832 113.3 54.3 -64.2 -34.0 110.6 55.1 16.8 102 98 A K H > S+ 0 0 150 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.857 103.7 54.7 -68.4 -37.3 113.2 56.6 14.4 103 99 A E H > S+ 0 0 70 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.886 108.7 49.0 -62.6 -40.1 114.2 59.2 16.9 104 100 A L H < S+ 0 0 4 -4,-1.6 3,-0.4 1,-0.2 -2,-0.2 0.907 111.8 48.5 -62.9 -45.0 114.9 56.4 19.4 105 101 A Q H < S+ 0 0 139 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.815 114.9 45.8 -64.3 -33.4 117.0 54.5 16.9 106 102 A N H < S+ 0 0 118 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.588 88.7 111.2 -87.3 -12.7 119.0 57.6 15.9 107 103 A A < - 0 0 28 -4,-1.0 -3,-0.0 -3,-0.4 -4,-0.0 -0.345 55.5-145.7 -71.2 141.6 119.7 58.8 19.5 108 104 A C - 0 0 100 -2,-0.1 2,-0.2 0, 0.0 -58,-0.1 -0.873 15.9-123.1-103.2 137.8 123.2 58.8 20.9 109 105 A P - 0 0 43 0, 0.0 2,-0.1 0, 0.0 -62,-0.0 -0.552 28.9-120.2 -72.3 144.4 124.0 58.1 24.6 110 106 A T > - 0 0 41 -2,-0.2 4,-2.6 1,-0.1 3,-0.3 -0.397 28.2-104.0 -73.6 161.4 126.0 60.8 26.4 111 107 A L H > S+ 0 0 42 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.901 123.7 55.1 -49.3 -47.7 129.3 60.0 27.9 112 108 A A H > S+ 0 0 28 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.871 110.8 46.1 -57.7 -38.9 127.8 59.9 31.4 113 109 A N H > S+ 0 0 2 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.949 115.1 45.3 -65.1 -53.9 125.2 57.4 30.1 114 110 A K H X S+ 0 0 35 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.836 111.1 53.8 -56.9 -42.3 127.9 55.2 28.4 115 111 A S H X S+ 0 0 8 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.902 110.1 46.5 -64.4 -44.1 130.3 55.3 31.4 116 112 A Y H X S+ 0 0 0 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.950 115.2 43.7 -66.3 -51.9 127.7 54.1 33.8 117 113 A T H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.875 113.1 53.1 -67.0 -34.0 126.4 51.2 31.7 118 114 A S H X S+ 0 0 6 -4,-2.4 4,-3.1 -5,-0.2 -1,-0.2 0.897 107.4 52.6 -62.6 -41.9 130.0 50.2 30.8 119 115 A Y H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.905 109.9 46.0 -62.6 -46.2 130.9 50.1 34.4 120 116 A M H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.919 116.2 47.0 -63.2 -44.2 128.0 47.8 35.4 121 117 A L H X S+ 0 0 3 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.950 113.3 46.7 -60.8 -52.7 128.7 45.5 32.4 122 118 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.875 114.3 46.9 -61.4 -41.1 132.5 45.3 33.0 123 119 A E H X S+ 0 0 24 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.895 112.1 51.3 -69.7 -38.0 132.1 44.6 36.7 124 120 A G H < S+ 0 0 0 -4,-2.2 8,-0.3 -5,-0.2 -2,-0.2 0.944 113.8 44.7 -56.5 -47.9 129.5 42.0 36.0 125 121 A F H < S+ 0 0 55 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.849 114.4 46.9 -71.8 -36.6 131.8 40.3 33.5 126 122 A K H < S+ 0 0 69 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.727 119.1 40.9 -74.6 -22.6 135.0 40.5 35.7 127 123 A G S < S- 0 0 17 -4,-1.5 2,-0.1 1,-0.2 -3,-0.1 -0.074 85.5-100.6-107.2-155.0 133.1 39.1 38.8 128 124 A S > - 0 0 47 -2,-0.1 4,-1.7 -5,-0.0 3,-0.4 -0.362 59.0 -67.6-114.3-164.0 130.5 36.5 39.6 129 125 A I H > S+ 0 0 24 -64,-0.4 4,-2.6 1,-0.2 5,-0.2 0.787 129.2 64.2 -62.3 -25.2 126.8 36.7 40.2 130 126 A K H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 103.5 46.8 -62.0 -46.6 127.5 38.7 43.5 131 127 A E H > S+ 0 0 11 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.885 112.3 49.6 -65.0 -40.5 129.0 41.5 41.5 132 128 A V H X S+ 0 0 0 -4,-1.7 4,-1.4 -8,-0.3 -2,-0.2 0.934 111.1 49.6 -64.1 -41.7 126.1 41.6 39.0 133 129 A A H 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G H X S+ 0 0 4 -4,-1.3 4,-2.5 1,-0.2 5,-0.2 0.887 83.2 58.7 -56.9 -43.4 102.3 62.0 38.5 164 160 A H H > S+ 0 0 58 -3,-0.5 4,-2.1 -5,-0.3 -1,-0.2 0.849 104.7 50.8 -56.9 -39.3 102.6 58.8 36.5 165 161 A W H > S+ 0 0 3 -3,-0.4 4,-1.8 -4,-0.3 -1,-0.2 0.896 112.3 44.2 -67.3 -45.5 106.4 58.7 37.0 166 162 A I H < S+ 0 0 0 -4,-1.4 4,-0.4 -10,-0.2 -2,-0.2 0.895 115.6 48.2 -68.8 -41.2 106.3 59.2 40.8 167 163 A K H >X S+ 0 0 127 -4,-2.5 3,-0.7 1,-0.2 4,-0.7 0.890 110.3 54.0 -63.4 -40.8 103.5 56.6 41.2 168 164 A G H >< S+ 0 0 17 -4,-2.1 3,-0.5 -5,-0.2 6,-0.3 0.889 110.4 42.5 -63.7 -44.2 105.3 54.1 39.0 169 165 A Y T 3< S+ 0 0 17 -4,-1.8 -1,-0.2 1,-0.2 -22,-0.2 0.434 118.1 47.0 -88.0 2.8 108.6 54.1 40.9 170 166 A S T <4 S+ 0 0 20 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.379 85.9 121.3-117.7 -0.7 106.8 54.0 44.3 171 167 A S S S+ 0 0 145 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.844 117.9 55.1 -55.5 -37.8 104.0 47.9 45.3 173 169 A E H > S+ 0 0 126 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.885 108.0 45.5 -67.4 -41.4 105.3 46.1 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58.0 -66.9 -25.5 125.9 62.4 37.3 214 210 A F H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.902 107.5 45.1 -69.1 -43.6 123.1 61.0 35.2 215 211 A W H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.899 111.8 55.0 -65.0 -41.9 120.6 63.4 36.7 216 212 A D H X S+ 0 0 59 -4,-2.1 4,-3.1 1,-0.2 3,-0.4 0.956 109.7 44.0 -53.3 -57.1 123.1 66.2 36.2 217 213 A M H < S+ 0 0 28 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.786 110.6 56.0 -65.7 -28.7 123.5 65.5 32.5 218 214 A A H >< S+ 0 0 0 -4,-1.7 3,-0.6 2,-0.2 -1,-0.3 0.859 112.9 41.9 -68.0 -36.3 119.8 65.2 32.1 219 215 A Y H 3< S+ 0 0 74 -4,-2.0 -2,-0.2 -3,-0.4 -3,-0.2 0.916 111.9 52.8 -73.7 -45.5 119.4 68.7 33.6 220 216 A Q T 3< 0 0 158 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.190 360.0 360.0 -71.3 20.4 122.3 70.1 31.7 221 217 A S < 0 0 82 -3,-0.6 -1,-0.2 -5,-0.2 -2,-0.1 0.731 360.0 360.0 -43.2 360.0 120.5 68.7 28.6 222 !* 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 0.0 223 0 D T 0 0 202 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -86.7 140.6 54.8 -0.7 224 1 D M - 0 0 92 4,-0.0 2,-0.0 0, 0.0 0, 0.0 -0.881 360.0-102.4 179.5 134.1 142.1 54.7 2.8 225 2 D Q > - 0 0 121 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.334 34.5-122.5 -59.9 150.0 143.0 52.2 5.6 226 3 D V H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.853 112.7 59.1 -67.7 -31.7 140.5 52.0 8.5 227 4 D S H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 107.9 45.4 -59.5 -44.7 143.3 52.9 10.9 228 5 D Q H > S+ 0 0 77 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.891 109.7 55.7 -66.1 -39.1 143.9 56.2 9.0 229 6 D Y H X S+ 0 0 71 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.874 111.1 43.3 -60.4 -40.4 140.1 56.8 8.9 230 7 D L H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.893 112.4 53.7 -71.6 -41.6 139.9 56.5 12.7 231 8 D Y H >X S+ 0 0 56 -4,-2.5 4,-1.3 1,-0.2 3,-1.3 0.940 107.4 51.3 -53.4 -49.8 143.0 58.7 13.0 232 9 D Q H 3< S+ 0 0 98 -4,-2.8 4,-0.4 1,-0.3 3,-0.3 0.873 108.9 51.0 -57.8 -41.7 141.5 61.4 10.8 233 10 D N H 3< S+ 0 0 71 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.593 116.8 39.2 -77.4 -10.2 138.3 61.4 12.9 234 11 D A H XX S+ 0 0 0 -3,-1.3 4,-2.3 -4,-0.8 3,-0.7 0.497 83.5 97.0-112.7 -7.8 140.2 61.8 16.2 235 12 D Q H 3X S+ 0 0 60 -4,-1.3 4,-2.1 -3,-0.3 -2,-0.1 0.820 83.1 56.6 -54.5 -34.6 143.0 64.2 15.3 236 13 D S H 3> S+ 0 0 91 -4,-0.4 4,-1.7 2,-0.2 -1,-0.3 0.897 109.1 44.4 -63.8 -44.0 141.0 67.2 16.6 237 14 D I H <> S+ 0 0 31 -3,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.903 112.3 52.0 -68.3 -40.6 140.6 65.6 20.1 238 15 D W H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.852 105.4 57.1 -65.0 -34.2 144.3 64.6 20.1 239 16 D G H X S+ 0 0 29 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.939 106.0 48.6 -58.1 -49.8 145.1 68.3 19.2 240 17 D D H < S+ 0 0 80 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.850 111.2 52.0 -57.7 -36.1 143.2 69.3 22.4 241 18 D C H >< S+ 0 0 0 -4,-1.8 3,-1.4 2,-0.2 6,-0.3 0.942 108.0 50.0 -64.7 -49.6 145.3 66.7 24.3 242 19 D I H 3< S+ 0 0 21 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.885 114.4 44.5 -56.5 -41.5 148.6 68.0 23.0 243 20 D S T 3< S+ 0 0 77 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.350 85.9 123.3 -91.3 9.6 147.8 71.6 23.9 244 21 D H S <> S- 0 0 7 -3,-1.4 4,-3.3 -4,-0.2 5,-0.5 -0.449 72.0-120.5 -69.2 140.3 146.4 70.7 27.4 245 22 D P H > S+ 0 0 71 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.854 113.7 50.2 -48.0 -43.6 148.0 72.4 30.4 246 23 D F H > S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 9,-0.1 0.917 115.9 42.0 -60.4 -44.7 149.1 69.1 31.9 247 24 D V H >> S+ 0 0 0 -6,-0.3 4,-1.8 -3,-0.3 3,-0.6 0.934 117.0 43.9 -76.4 -47.7 150.6 67.9 28.7 248 25 D Q H 3X S+ 0 0 34 -4,-3.3 4,-2.0 1,-0.2 6,-0.3 0.829 107.5 65.7 -61.2 -30.0 152.3 71.2 27.7 249 26 D G H 3<>S+ 0 0 1 -4,-1.8 6,-1.7 -5,-0.5 5,-0.8 0.847 102.6 45.3 -56.7 -37.9 153.3 71.2 31.3 250 27 D I H X<5S+ 0 0 1 -4,-1.0 3,-0.8 -3,-0.6 -2,-0.2 0.926 112.1 51.5 -69.8 -47.8 155.4 68.1 30.7 251 28 D G H 3<5S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.732 121.6 30.4 -66.3 -27.4 156.9 69.5 27.5 252 29 D R T 3<5S- 0 0 148 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.194 105.9-117.2-120.8 18.8 158.0 72.8 29.1 253 30 D G T < 5S+ 0 0 24 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.609 81.6 115.8 65.4 17.0 158.7 71.7 32.6 254 31 D T < + 0 0 98 -5,-0.8 -4,-0.2 -6,-0.3 -5,-0.1 0.690 40.0 108.9 -87.7 -22.0 156.0 73.9 34.2 255 32 D L S S- 0 0 5 -6,-1.7 2,-0.2 -9,-0.1 -9,-0.1 -0.356 76.2-115.1 -62.4 130.9 153.8 71.0 35.5 256 33 D E >> - 0 0 90 1,-0.1 4,-1.6 -2,-0.1 3,-1.4 -0.473 15.1-126.8 -70.4 136.2 154.0 70.8 39.3 257 34 D R H 3> S+ 0 0 114 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.805 108.1 60.0 -50.1 -37.4 155.5 67.7 40.7 258 35 D D H 3> S+ 0 0 130 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.814 105.2 47.6 -65.4 -33.4 152.5 67.1 42.9 259 36 D K H <> S+ 0 0 45 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.853 112.4 48.8 -74.5 -36.4 150.1 66.9 39.9 260 37 D F H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.899 108.7 54.3 -69.6 -40.1 152.4 64.5 38.0 261 38 D R H X S+ 0 0 62 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.936 109.3 47.3 -54.3 -51.8 152.7 62.3 41.1 262 39 D F H X S+ 0 0 54 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.894 111.5 52.0 -56.5 -43.5 148.9 62.1 41.3 263 40 D Y H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.905 107.0 53.3 -59.0 -43.5 148.8 61.3 37.5 264 41 D I H X S+ 0 0 3 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.861 108.2 47.9 -66.6 -39.6 151.4 58.5 38.0 265 42 D I H X S+ 0 0 17 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.917 115.3 46.7 -63.0 -45.4 149.4 56.7 40.7 266 43 D Q H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.882 111.0 50.6 -63.9 -39.8 146.2 56.9 38.5 267 44 D D H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.859 107.0 55.2 -72.1 -34.5 148.0 55.7 35.4 268 45 D Y H X S+ 0 0 64 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.930 111.2 43.7 -56.7 -51.1 149.3 52.8 37.3 269 46 D L H X S+ 0 0 23 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.882 113.4 53.8 -60.1 -41.4 145.8 51.8 38.3 270 47 D Y H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 3,-0.5 0.914 105.6 52.1 -57.3 -47.6 144.7 52.5 34.7 271 48 D L H X S+ 0 0 29 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.789 102.1 59.5 -66.1 -32.3 147.4 50.2 33.3 272 49 D L H X S+ 0 0 68 -4,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.861 112.1 39.6 -61.7 -38.8 146.3 47.3 35.5 273 50 D E H X S+ 0 0 40 -4,-1.2 4,-0.8 -3,-0.5 -2,-0.2 0.833 112.3 56.7 -80.5 -34.1 142.8 47.4 34.0 274 51 D Y H >X S+ 0 0 16 -4,-2.1 4,-1.2 1,-0.2 3,-0.8 0.880 100.0 58.8 -63.7 -41.0 144.1 48.1 30.5 275 52 D A H 3X S+ 0 0 8 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.863 99.5 60.0 -56.2 -35.5 146.2 44.9 30.7 276 53 D K H 3X S+ 0 0 90 -4,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.791 97.8 56.6 -62.8 -32.3 142.9 43.0 31.2 277 54 D V H S- 0 0 84 -2,-0.7 4,-1.9 1,-0.0 3,-0.2 -0.710 77.9-132.9 177.6 124.4 144.9 32.7 15.6 288 65 D E H > S+ 0 0 126 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.828 102.5 59.4 -59.6 -38.9 148.0 31.6 17.5 289 66 D A H > S+ 0 0 49 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.931 110.2 40.0 -59.6 -46.1 150.1 34.5 16.2 290 67 D V H > S+ 0 0 19 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.868 110.3 58.6 -78.3 -31.8 147.8 37.3 17.6 291 68 D M H X S+ 0 0 78 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.937 109.7 46.2 -48.2 -52.1 147.2 35.4 20.8 292 69 D R H X S+ 0 0 142 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.850 110.3 52.2 -62.6 -40.2 151.0 35.5 21.3 293 70 D E H X S+ 0 0 72 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.929 112.1 45.8 -64.9 -44.1 151.1 39.2 20.4 294 71 D F H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.903 111.8 52.2 -63.3 -42.2 148.4 40.0 22.9 295 72 D S H X S+ 0 0 53 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.918 109.4 48.9 -60.2 -46.3 150.1 37.9 25.6 296 73 D N H X S+ 0 0 89 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.823 107.3 56.6 -62.1 -31.4 153.4 39.8 25.0 297 74 D A H X S+ 0 0 13 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.883 104.2 52.2 -70.0 -37.4 151.5 43.1 25.3 298 75 D I H X S+ 0 0 31 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.940 111.7 46.7 -57.9 -48.9 150.3 42.1 28.7 299 76 D Q H X S+ 0 0 98 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.893 111.6 50.7 -60.6 -43.3 153.9 41.3 29.8 300 77 D D H < S+ 0 0 106 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.908 111.9 47.7 -63.1 -43.6 155.1 44.6 28.3 301 78 D I H < S+ 0 0 35 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.941 121.8 35.5 -60.8 -49.7 152.4 46.6 30.2 302 79 D L H < 0 0 79 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.998 360.0 360.0 -69.3 -67.0 153.2 44.8 33.5 303 80 D N < 0 0 119 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.511 360.0 360.0 -80.9 360.0 157.0 44.4 33.3 304 ! 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 0.0 305 83 D M 0 0 179 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 44.9 162.1 48.8 33.4 306 84 D S > - 0 0 26 -4,-0.1 4,-1.7 -3,-0.1 3,-0.1 -0.345 360.0-120.6 -77.3 152.5 158.7 50.5 33.1 307 85 D I H > S+ 0 0 31 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.904 113.0 53.4 -57.1 -44.5 158.2 54.3 32.9 308 86 D H H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.852 104.1 55.0 -62.1 -38.9 156.0 54.2 36.1 309 87 D N H > S+ 0 0 58 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.940 104.4 54.2 -58.6 -49.4 158.6 52.4 38.1 310 88 D H H X S+ 0 0 43 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.917 114.3 41.3 -48.1 -49.5 161.2 55.1 37.3 311 89 D Y H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 6,-0.3 0.728 108.2 59.4 -77.9 -23.8 158.8 57.7 38.7 312 90 D I H <>S+ 0 0 25 -4,-2.1 5,-1.1 -5,-0.2 -1,-0.2 0.918 115.0 38.3 -60.7 -45.5 157.8 55.4 41.6 313 91 D R H <5S+ 0 0 145 -4,-2.7 -2,-0.2 3,-0.1 -3,-0.2 0.886 116.5 50.2 -71.7 -42.7 161.5 55.5 42.6 314 92 D E H <5S+ 0 0 101 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.923 118.4 39.1 -67.4 -48.8 162.1 59.2 41.6 315 93 D L T <5S- 0 0 19 -4,-2.2 2,-0.2 -5,-0.1 -58,-0.0 -0.337 103.9-109.2 -80.2 178.2 159.1 60.4 43.6 316 94 D Q T 5 + 0 0 172 -2,-0.1 2,-0.5 2,-0.0 -3,-0.1 -0.337 55.9 155.0-115.8 57.5 158.6 58.5 46.9 317 95 D I < - 0 0 10 -5,-1.1 2,-0.2 -6,-0.3 -2,-0.0 -0.701 30.9-147.0 -82.6 121.4 155.5 56.5 46.2 318 96 D T > - 0 0 80 -2,-0.5 4,-1.6 1,-0.1 5,-0.1 -0.488 23.4-114.7 -89.0 161.1 155.4 53.3 48.4 319 97 D Q H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.856 119.6 52.7 -59.0 -36.9 154.0 49.9 47.5 320 98 D K H > S+ 0 0 152 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 103.8 55.0 -66.5 -42.2 151.4 50.5 50.2 321 99 D E H > S+ 0 0 71 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.847 109.9 48.0 -60.6 -36.2 150.3 53.9 48.7 322 100 D L H < S+ 0 0 7 -4,-1.6 3,-0.3 2,-0.2 -1,-0.2 0.873 111.1 49.1 -70.0 -41.4 149.7 52.1 45.4 323 101 D Q H < S+ 0 0 152 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.824 114.6 45.2 -69.8 -32.2 147.7 49.3 46.9 324 102 D N H < S+ 0 0 115 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.595 89.9 113.1 -85.4 -12.7 145.5 51.7 48.9 325 103 D A < - 0 0 27 -4,-0.7 -3,-0.0 -3,-0.3 -4,-0.0 -0.300 56.3-144.5 -68.3 142.5 144.9 54.1 46.0 326 104 D C - 0 0 89 -2,-0.0 2,-0.1 0, 0.0 -1,-0.1 -0.899 14.9-124.6-106.4 133.4 141.5 54.5 44.4 327 105 D P - 0 0 31 0, 0.0 2,-0.1 0, 0.0 -61,-0.0 -0.491 31.3-117.5 -69.4 145.9 140.9 55.2 40.7 328 106 D T > - 0 0 37 -2,-0.1 4,-2.6 1,-0.1 3,-0.3 -0.387 27.3-102.8 -75.8 163.6 138.9 58.3 39.9 329 107 D L H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.882 124.3 52.6 -48.8 -45.2 135.5 58.1 38.1 330 108 D A H > S+ 0 0 26 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.864 110.3 48.7 -62.4 -39.5 137.2 59.3 34.9 331 109 D N H > S+ 0 0 2 -3,-0.3 4,-2.0 2,-0.2 5,-0.3 0.968 113.8 44.6 -62.6 -55.2 139.7 56.5 35.2 332 110 D K H X S+ 0 0 26 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.828 111.2 54.1 -61.3 -38.0 137.1 53.7 35.9 333 111 D S H X S+ 0 0 6 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.915 109.0 48.5 -62.3 -46.0 134.8 54.9 33.2 334 112 D Y H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.966 116.6 39.6 -63.6 -55.1 137.6 54.7 30.6 335 113 D T H X S+ 0 0 5 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.889 114.4 54.7 -64.4 -37.2 138.8 51.2 31.4 336 114 D S H X S+ 0 0 5 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.894 107.6 51.7 -59.6 -41.0 135.2 50.0 32.0 337 115 D Y H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.887 109.2 47.3 -63.6 -45.0 134.3 51.2 28.5 338 116 D M H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.922 115.3 47.5 -63.7 -42.2 137.2 49.3 26.8 339 117 D L H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.934 112.3 47.6 -62.7 -48.8 136.4 46.2 28.7 340 118 D A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.874 113.7 46.3 -65.2 -40.9 132.6 46.3 28.0 341 119 D E H X S+ 0 0 13 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.899 112.7 51.2 -70.1 -40.0 133.1 46.9 24.3 342 120 D G H < S+ 0 0 0 -4,-2.1 8,-0.2 -5,-0.2 -2,-0.2 0.911 113.5 44.8 -58.8 -43.6 135.7 44.2 24.0 343 121 D F H < S+ 0 0 60 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.842 113.6 48.1 -73.1 -35.8 133.4 41.7 25.8 344 122 D K H < S+ 0 0 81 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.766 119.8 35.9 -74.1 -25.6 130.3 42.6 23.7 345 123 D G S < S- 0 0 23 -4,-1.6 2,-0.2 1,-0.2 -3,-0.1 -0.027 87.7 -90.4-110.2-151.6 132.1 42.4 20.4 346 124 D S >> - 0 0 43 -2,-0.1 4,-1.5 -5,-0.0 3,-0.7 -0.428 56.3 -71.0-115.4-170.7 134.9 40.4 18.7 347 125 D I H 3> S+ 0 0 23 -63,-0.4 4,-2.0 1,-0.2 5,-0.2 0.774 128.0 62.7 -55.7 -28.6 138.7 40.7 18.3 348 126 D K H 3> S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 102.5 48.6 -60.7 -46.9 138.1 43.7 16.0 349 127 D E H <> S+ 0 0 23 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.860 110.3 50.1 -68.1 -36.9 136.5 45.7 18.8 350 128 D V H X S+ 0 0 0 -4,-1.5 4,-1.6 -8,-0.2 -1,-0.2 0.918 110.6 50.1 -66.4 -38.8 139.3 44.9 21.3 351 129 D A H X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.897 114.9 44.3 -63.4 -41.1 141.9 46.0 18.7 352 130 D A H X S+ 0 0 0 -4,-2.2 4,-0.6 1,-0.2 3,-0.4 0.855 109.9 56.2 -69.9 -36.8 140.0 49.2 18.1 353 131 D A H < S+ 0 0 0 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.821 111.1 41.5 -68.7 -31.1 139.4 49.9 21.9 354 132 D V H X S+ 0 0 0 -4,-1.6 4,-1.1 1,-0.1 -1,-0.2 0.577 96.1 80.9 -92.1 -9.4 143.1 49.8 22.9 355 133 D L H X S+ 0 0 1 -4,-0.6 4,-2.7 -3,-0.4 5,-0.3 0.887 82.4 57.3 -69.3 -44.8 144.5 51.8 20.0 356 134 D S H X S+ 0 0 0 -4,-0.6 4,-2.9 1,-0.2 5,-0.4 0.897 102.5 56.6 -53.1 -48.9 143.8 55.4 21.0 357 135 D C H > S+ 0 0 10 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.942 115.9 33.5 -49.3 -58.0 145.7 55.1 24.3 358 136 D G H X S+ 0 0 12 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.949 120.5 48.4 -66.3 -49.6 149.0 54.0 22.6 359 137 D W H X S+ 0 0 24 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.917 111.0 49.2 -62.3 -46.8 148.7 56.0 19.4 360 138 D S H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.3 -1,-0.2 0.874 110.1 51.7 -62.5 -37.9 147.8 59.3 21.1 361 139 D Y H X S+ 0 0 6 -4,-1.5 4,-3.0 -5,-0.4 -1,-0.2 0.892 108.4 53.1 -64.0 -39.2 150.7 59.0 23.6 362 140 D L H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.957 113.6 40.7 -58.2 -52.5 153.0 58.4 20.6 363 141 D V H X S+ 0 0 18 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.868 114.9 52.4 -70.6 -34.9 151.9 61.6 18.9 364 142 D I H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.966 113.3 44.2 -58.3 -52.0 151.8 63.6 22.1 365 143 D A H X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.840 111.6 52.6 -65.0 -36.0 155.4 62.5 22.9 366 144 D Q H < S+ 0 0 75 -4,-2.4 4,-0.4 21,-0.2 -1,-0.2 0.889 112.6 46.8 -65.5 -38.0 156.6 63.1 19.3 367 145 D N H >< S+ 0 0 61 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.934 111.3 48.4 -67.9 -48.5 155.1 66.6 19.6 368 146 D L H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.785 97.4 76.3 -63.1 -27.1 156.6 67.4 23.0 369 147 D S T 3< S+ 0 0 31 -4,-1.5 6,-0.4 1,-0.3 -1,-0.2 0.717 91.9 51.0 -55.1 -29.3 160.0 66.2 21.7 370 148 D Q T < S+ 0 0 150 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.1 -0.299 78.8 94.7-111.3 52.2 160.7 69.3 19.7 371 149 D I S < S- 0 0 48 -3,-0.8 -1,-0.2 -2,-0.2 -2,-0.1 0.923 94.4-111.3 -85.3 -44.2 160.1 72.2 22.1 372 150 D P S S+ 0 0 100 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.572 90.7 24.4-109.6-166.1 163.3 72.2 22.8 373 151 D N S > S+ 0 0 120 -4,-0.2 4,-0.5 -2,-0.1 8,-0.1 0.483 88.4 114.1 66.7 8.9 165.1 71.3 26.0 374 152 D A T >4 S+ 0 0 4 -5,-0.2 3,-0.7 1,-0.2 10,-0.2 0.935 76.9 42.8 -68.3 -47.2 162.1 69.1 26.6 375 153 D L T 34 S+ 0 0 48 -6,-0.4 -1,-0.2 1,-0.2 10,-0.1 0.767 111.7 55.1 -68.2 -29.7 164.1 65.9 26.3 376 154 D E T 34 S+ 0 0 127 5,-0.1 -1,-0.2 4,-0.1 -2,-0.2 0.566 76.9 123.2 -83.4 -11.0 167.0 67.3 28.4 377 155 D H S+ 0 0 0 1,-0.2 4,-1.7 2,-0.1 3,-0.3 0.633 94.6 84.0 -83.1 -15.6 160.3 65.1 32.6 381 159 D G H X S+ 0 0 2 -4,-1.7 4,-3.0 1,-0.2 5,-0.2 0.900 86.2 55.4 -51.8 -49.5 162.8 64.0 30.0 382 160 D H H > S+ 0 0 81 -3,-0.3 4,-2.8 -5,-0.3 -1,-0.2 0.882 106.0 51.0 -54.2 -46.1 162.4 60.3 30.7 383 161 D W H > S+ 0 0 2 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.2 0.927 114.3 43.2 -59.7 -47.8 158.7 60.3 30.2 384 162 D I H X S+ 0 0 0 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.904 114.3 50.7 -65.6 -43.7 159.0 62.0 26.8 385 163 D K H >< S+ 0 0 108 -4,-3.0 3,-0.6 -5,-0.2 4,-0.2 0.901 110.2 51.2 -58.3 -44.3 161.9 59.8 25.8 386 164 D G H >< S+ 0 0 19 -4,-2.8 3,-0.9 1,-0.2 6,-0.3 0.903 110.8 44.3 -63.6 -44.9 159.9 56.6 26.7 387 165 D Y H 3< S+ 0 0 19 -4,-1.8 -1,-0.2 1,-0.2 -22,-0.2 0.488 116.5 46.7 -86.1 -1.0 156.8 57.4 24.8 388 166 D S T << S+ 0 0 31 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.254 88.9 122.6-116.2 9.7 158.6 58.5 21.7 389 167 D S S <> S- 0 0 16 -3,-0.9 4,-2.5 -4,-0.2 5,-0.2 -0.202 74.5-113.1 -75.0 162.9 161.0 55.6 21.6 390 168 D K H > S+ 0 0 156 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.878 117.4 50.6 -58.2 -43.4 161.6 53.1 18.8 391 169 D E H > S+ 0 0 127 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.883 111.0 47.3 -68.9 -38.4 160.2 50.2 20.9 392 170 D F H > S+ 0 0 48 -6,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.927 110.0 52.3 -68.7 -43.6 157.1 52.1 21.8 393 171 D Q H X S+ 0 0 77 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.885 106.8 55.0 -56.4 -39.3 156.4 53.2 18.2 394 172 D A H X S+ 0 0 57 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.888 106.1 50.9 -63.0 -39.8 156.7 49.5 17.2 395 173 D C H X S+ 0 0 57 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.935 112.5 45.9 -60.9 -47.5 154.0 48.5 19.8 396 174 D V H X S+ 0 0 6 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.925 111.4 52.8 -60.4 -46.7 151.7 51.2 18.3 397 175 D N H X S+ 0 0 71 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.865 106.9 52.6 -57.5 -39.9 152.6 50.1 14.8 398 176 D W H X S+ 0 0 54 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.950 110.7 47.2 -58.3 -47.9 151.6 46.5 15.7 399 177 D N H X S+ 0 0 8 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.886 113.6 48.6 -63.2 -39.7 148.2 47.6 17.0 400 178 D I H X S+ 0 0 17 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.944 114.1 44.4 -62.3 -53.6 147.7 49.7 13.9 401 179 D N H X S+ 0 0 99 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.848 111.4 54.4 -63.6 -36.6 148.6 46.9 11.5 402 180 D L H X S+ 0 0 8 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.948 109.3 47.0 -62.1 -49.4 146.5 44.3 13.5 403 181 D L H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.921 112.8 50.0 -58.0 -45.2 143.4 46.5 13.2 404 182 D D H >< S+ 0 0 17 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.911 113.4 45.3 -60.5 -42.3 144.0 47.0 9.5 405 183 D S H 3< S+ 0 0 71 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.754 110.9 53.1 -78.3 -22.4 144.4 43.3 8.9 406 184 D L H 3< S+ 0 0 42 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.606 112.4 46.0 -80.2 -12.0 141.4 42.3 11.0 407 185 D T X< + 0 0 4 -4,-0.8 3,-1.9 -3,-0.7 -1,-0.2 0.339 69.0 107.1-118.9 9.8 139.1 44.6 9.1 408 186 D L T 3 S+ 0 0 143 -3,-0.4 -1,-0.1 -4,-0.3 -2,-0.1 0.719 91.8 42.0 -68.3 -14.9 139.7 44.2 5.4 409 187 D A T 3 S+ 0 0 96 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.280 88.7 126.1-105.5 8.7 136.3 42.4 5.0 410 188 D S < - 0 0 23 -3,-1.9 -3,-0.1 1,-0.1 2,-0.0 -0.425 56.6-125.1 -73.9 140.8 134.4 44.7 7.4 411 189 D S > - 0 0 39 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.225 29.3-100.6 -72.5 169.0 131.1 46.4 6.2 412 190 D K H > S+ 0 0 163 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.879 123.9 51.2 -55.1 -43.4 130.4 50.1 6.2 413 191 D Q H > S+ 0 0 157 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.879 108.1 51.6 -66.3 -41.5 128.3 49.7 9.4 414 192 D E H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.916 108.2 51.6 -60.6 -45.4 131.1 47.8 11.2 415 193 D I H X S+ 0 0 23 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.883 108.4 51.9 -59.9 -38.6 133.7 50.5 10.4 416 194 D E H X S+ 0 0 78 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.899 108.1 51.4 -65.4 -41.1 131.3 53.1 11.8 417 195 D K H X S+ 0 0 70 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.935 111.2 47.7 -56.9 -48.4 131.0 51.1 15.1 418 196 D L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.869 110.3 52.3 -64.2 -37.3 134.8 50.9 15.3 419 197 D K H X S+ 0 0 36 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.919 106.6 53.3 -62.4 -46.8 135.1 54.6 14.7 420 198 D E H X S+ 0 0 78 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.870 110.7 47.2 -54.7 -42.0 132.6 55.4 17.4 421 199 D I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.919 110.7 52.0 -64.3 -45.6 134.7 53.3 19.9 422 200 D F H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.847 113.8 41.9 -65.7 -38.1 137.9 55.0 18.8 423 201 D I H X S+ 0 0 47 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.856 110.7 56.3 -80.0 -33.7 136.6 58.5 19.3 424 202 D T H X S+ 0 0 2 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.956 110.4 46.0 -56.3 -48.5 134.8 57.6 22.6 425 203 D T H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.837 108.9 55.2 -64.1 -35.3 138.2 56.4 23.9 426 204 D S H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.903 107.0 50.9 -63.3 -41.2 139.9 59.6 22.6 427 205 D E H X S+ 0 0 76 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.881 108.7 51.6 -59.1 -41.1 137.4 61.6 24.6 428 206 D Y H X S+ 0 0 6 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.853 105.9 55.2 -65.9 -35.4 138.2 59.6 27.7 429 207 D E H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.914 108.3 48.3 -60.6 -44.2 141.9 60.3 27.1 430 208 D Y H X S+ 0 0 78 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.913 111.9 48.9 -62.9 -42.6 141.1 64.0 27.2 431 209 D L H X S+ 0 0 63 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.809 107.8 56.3 -67.9 -28.3 139.1 63.6 30.4 432 210 D F H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.944 108.1 45.2 -67.4 -50.2 142.0 61.6 31.9 433 211 D W H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.900 115.0 50.1 -57.9 -42.1 144.5 64.4 31.4 434 212 D D H X S+ 0 0 61 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.923 110.8 47.9 -60.5 -49.4 141.9 66.8 32.7 435 213 D M H X S+ 0 0 25 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.901 110.5 53.1 -58.5 -43.3 141.3 64.7 35.8 436 214 D A H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.850 107.6 51.0 -63.1 -35.7 145.0 64.4 36.3 437 215 D Y H < S+ 0 0 73 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.812 108.4 50.9 -73.0 -32.8 145.4 68.2 36.2 438 216 D Q H < 0 0 147 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.841 360.0 360.0 -69.5 -34.5 142.6 68.7 38.8 439 217 D S < 0 0 86 -4,-1.7 -1,-0.1 -5,-0.1 -2,-0.1 -0.198 360.0 360.0 54.0 360.0 144.3 66.2 41.2