==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-MAY-04 1T5P . COMPND 2 MOLECULE: HEME OXYGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.WANG,F.NIEMEVZ,L.LAD,G.BULDAIN,T.L.POULOS,P.R.ORTIZ DE . 401 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 74.1 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 . 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 . 7 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 235 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 4 0 0 0 1 0 0 2 1 0 2 0 2 0 0 0 0 0 0 1 1 1 0 1 0 2 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 10 A P 0 0 91 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.5 21.1 23.8 7.3 2 11 A Q + 0 0 144 4,-0.0 5,-0.0 5,-0.0 0, 0.0 0.986 360.0 69.0 -71.9 -64.9 24.0 23.0 9.6 3 12 A D S > S- 0 0 47 1,-0.2 4,-2.4 4,-0.0 5,-0.2 -0.240 73.9-137.2 -62.7 141.2 23.5 19.4 10.3 4 13 A L H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.864 113.7 60.1 -60.8 -32.2 24.1 16.7 7.6 5 14 A S H > S+ 0 0 5 159,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.925 104.4 43.8 -58.8 -50.4 21.0 15.5 9.3 6 15 A E H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.866 112.3 53.8 -65.6 -37.2 19.0 18.7 8.4 7 16 A A H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.881 109.1 48.9 -64.9 -38.8 20.4 18.6 4.9 8 17 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.921 109.4 51.6 -67.3 -45.0 19.2 15.1 4.4 9 18 A K H < S+ 0 0 110 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.934 111.6 46.8 -57.1 -49.7 15.7 15.8 5.7 10 19 A E H >X S+ 0 0 118 -4,-2.1 3,-1.6 1,-0.2 4,-1.0 0.951 112.2 48.9 -58.1 -53.9 15.3 18.8 3.3 11 20 A A H 3< S+ 0 0 12 -4,-2.2 4,-0.2 1,-0.3 -1,-0.2 0.873 109.1 54.6 -55.0 -39.9 16.6 16.9 0.3 12 21 A T T 3< S+ 0 0 12 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.003 99.5 65.2 -86.5 30.3 14.3 14.0 1.0 13 22 A K T X4 S+ 0 0 137 -3,-1.6 3,-2.1 2,-0.1 -2,-0.2 0.724 96.5 48.1-110.3 -58.4 11.2 16.3 1.1 14 23 A E T 3< S+ 0 0 135 -4,-1.0 -2,-0.1 1,-0.3 -3,-0.1 0.536 123.6 40.0 -61.6 -3.4 11.0 17.5 -2.5 15 24 A V T 3 S+ 0 0 12 -4,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.365 97.1 78.5-123.4 -3.3 11.4 13.8 -3.2 16 25 A H S < S+ 0 0 131 -3,-2.1 -2,-0.1 1,-0.2 -4,-0.1 0.059 90.4 55.3 -95.9 24.2 9.2 12.4 -0.5 17 26 A T S S+ 0 0 84 -4,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.594 83.1 100.8-123.7 -28.2 6.0 13.2 -2.3 18 27 A Q + 0 0 117 1,-0.2 -3,-0.0 -4,-0.1 -4,-0.0 -0.129 66.5 39.2 -62.3 156.2 6.5 11.4 -5.6 19 28 A A + 0 0 38 1,-0.1 3,-0.5 2,-0.0 -1,-0.2 0.941 49.3 153.0 71.5 54.8 5.0 8.0 -6.5 20 29 A E + 0 0 138 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 -0.053 42.2 114.3 -97.4 31.4 1.5 8.1 -5.1 21 30 A N 0 0 132 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.635 360.0 360.0 -75.7 -18.2 0.8 5.6 -7.9 22 31 A A 0 0 102 -3,-0.5 174,-0.0 0, 0.0 173,-0.0 -0.805 360.0 360.0-131.4 360.0 0.0 2.7 -5.6 23 ! 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 24 43 A T > 0 0 135 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 162.7 -4.1 -6.5 -1.1 25 44 A R H >> + 0 0 101 2,-0.2 4,-2.6 1,-0.2 3,-0.8 0.980 360.0 55.2 -73.4 -61.5 -2.2 -9.5 0.3 26 45 A D H 34 S+ 0 0 108 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.718 110.7 51.0 -44.5 -24.8 -0.1 -10.4 -2.7 27 46 A G H 3> S+ 0 0 12 2,-0.2 4,-1.9 3,-0.1 -1,-0.3 0.876 107.3 48.8 -83.1 -41.6 1.1 -6.9 -2.7 28 47 A F H S+ 0 0 14 -4,-0.5 4,-2.2 -5,-0.3 -1,-0.2 0.881 110.3 45.7 -75.7 -40.0 5.8 -8.3 -2.4 31 50 A V H X S+ 0 0 41 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.778 113.3 50.9 -74.1 -26.9 6.9 -5.4 -0.3 32 51 A M H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.924 112.2 44.7 -75.8 -43.4 7.9 -7.8 2.5 33 52 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.917 113.3 53.0 -64.5 -42.1 10.0 -9.9 0.2 34 53 A S H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.944 108.1 49.0 -55.2 -54.1 11.5 -6.8 -1.3 35 54 A L H X S+ 0 0 20 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.779 107.2 57.6 -58.9 -31.3 12.5 -5.4 2.1 36 55 A Y H X S+ 0 0 22 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.963 107.4 44.5 -65.3 -54.4 14.2 -8.7 3.0 37 56 A H H X S+ 0 0 34 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.867 115.6 50.5 -58.3 -37.3 16.5 -8.7 0.0 38 57 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.922 111.8 44.8 -67.6 -46.3 17.3 -5.0 0.6 39 58 A Y H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.802 107.5 58.7 -70.6 -28.4 18.1 -5.4 4.3 40 59 A V H X S+ 0 0 50 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.943 113.3 38.9 -64.5 -45.9 20.2 -8.5 3.8 41 60 A A H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.906 117.2 49.4 -70.3 -44.5 22.5 -6.6 1.5 42 61 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.957 114.2 44.9 -59.8 -50.6 22.4 -3.4 3.6 43 62 A E H X S+ 0 0 25 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.807 111.6 53.4 -66.0 -29.3 23.2 -5.2 6.8 44 63 A E H X S+ 0 0 100 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.929 111.5 44.9 -70.0 -44.3 25.9 -7.2 5.1 45 64 A E H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.844 110.1 55.8 -67.1 -34.5 27.6 -4.1 3.9 46 65 A I H < S+ 0 0 12 -4,-2.3 4,-0.2 -5,-0.2 -1,-0.2 0.895 105.8 50.8 -63.8 -41.8 27.2 -2.4 7.3 47 66 A E H >< S+ 0 0 86 -4,-1.6 3,-1.0 1,-0.2 4,-0.2 0.898 107.7 53.5 -62.9 -41.8 29.0 -5.2 9.0 48 67 A R H 3< S+ 0 0 104 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.786 120.3 32.8 -63.4 -30.7 31.9 -5.0 6.5 49 68 A N T >< S+ 0 0 22 -4,-1.3 3,-0.9 -3,-0.2 -1,-0.2 0.163 82.7 114.2-113.4 18.8 32.3 -1.3 7.3 50 69 A K T < S+ 0 0 70 -3,-1.0 9,-0.1 1,-0.2 -1,-0.1 0.728 81.4 42.3 -64.6 -21.9 31.3 -1.2 11.0 51 70 A E T 3 S+ 0 0 175 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.496 88.2 104.5-104.7 -1.7 34.7 -0.2 12.2 52 71 A S S X> S- 0 0 32 -3,-0.9 4,-3.3 1,-0.1 3,-1.7 -0.499 76.6-123.7 -77.6 147.1 35.6 2.4 9.6 53 72 A P T 34 S+ 0 0 110 0, 0.0 118,-0.3 0, 0.0 -1,-0.1 0.728 107.1 65.3 -63.2 -20.8 35.4 6.1 10.7 54 73 A V T 34 S+ 0 0 48 1,-0.1 57,-0.3 2,-0.1 -4,-0.1 0.588 124.1 11.1 -79.5 -7.0 33.1 6.9 7.8 55 74 A F T X4 S+ 0 0 0 -3,-1.7 3,-2.2 -6,-0.2 4,-0.2 0.561 98.2 93.8-137.8 -27.5 30.3 4.7 9.3 56 75 A A G >< S+ 0 0 38 -4,-3.3 3,-1.8 1,-0.3 -2,-0.1 0.821 82.2 63.0 -40.5 -45.0 31.2 3.6 12.9 57 76 A P G 3 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.788 108.5 40.0 -56.6 -30.7 29.3 6.5 14.4 58 77 A V G < S+ 0 0 3 -3,-2.2 2,-0.9 108,-0.1 -2,-0.2 0.124 82.9 122.3-106.0 22.1 25.9 5.3 13.0 59 78 A Y < + 0 0 53 -3,-1.8 -3,-0.0 -4,-0.2 -4,-0.0 -0.755 23.8 156.3 -85.2 107.8 26.6 1.6 13.7 60 79 A F > + 0 0 18 -2,-0.9 4,-2.1 1,-0.1 5,-0.4 -0.600 7.7 169.6-132.3 69.2 23.7 0.5 15.9 61 80 A P H > S+ 0 0 43 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.872 75.1 38.9 -50.1 -50.6 23.5 -3.3 15.4 62 81 A E H 4 S+ 0 0 121 1,-0.2 90,-0.3 2,-0.2 91,-0.1 0.915 115.6 50.1 -71.9 -42.4 21.1 -4.3 18.2 63 82 A E H 4 S+ 0 0 41 1,-0.2 89,-0.2 88,-0.1 -1,-0.2 0.858 125.9 21.3 -65.3 -36.2 18.7 -1.3 17.9 64 83 A L H < S+ 0 0 5 -4,-2.1 -2,-0.2 88,-0.1 -1,-0.2 0.662 76.7 126.3-113.8 -14.9 18.2 -1.5 14.2 65 84 A H < + 0 0 70 -4,-1.8 4,-0.1 -5,-0.4 -26,-0.0 -0.137 25.3 172.8 -49.7 140.8 18.9 -4.9 12.7 66 85 A R > + 0 0 12 -27,-0.1 4,-2.1 2,-0.1 5,-0.2 0.469 49.3 92.9-128.7 -8.1 15.9 -6.1 10.7 67 86 A K H > S+ 0 0 78 1,-0.2 4,-1.3 -28,-0.2 5,-0.1 0.924 88.4 49.4 -55.4 -50.4 16.9 -9.3 8.9 68 87 A A H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.835 110.9 49.2 -59.2 -37.5 15.6 -11.6 11.6 69 88 A A H > S+ 0 0 12 2,-0.2 4,-2.9 1,-0.2 78,-0.4 0.907 110.3 50.1 -70.9 -41.1 12.2 -9.9 11.9 70 89 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.748 109.2 54.9 -67.2 -23.9 11.7 -10.0 8.2 71 90 A E H X S+ 0 0 54 -4,-1.3 4,-1.0 -5,-0.2 -2,-0.2 0.918 108.0 46.1 -75.8 -43.9 12.6 -13.7 8.4 72 91 A Q H >X S+ 0 0 123 -4,-2.0 4,-1.1 1,-0.2 3,-1.0 0.977 118.2 44.4 -59.3 -53.9 9.9 -14.4 11.0 73 92 A D H >X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.3 3,-0.5 0.888 109.8 53.3 -57.0 -45.2 7.4 -12.4 8.9 74 93 A L H 3X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.695 104.5 57.6 -67.6 -16.6 8.4 -14.0 5.6 75 94 A A H < - 0 0 20 -4,-0.6 3,-1.8 1,-0.2 -1,-0.3 -0.156 48.3 -43.1 88.0 175.4 5.2 -20.4 4.5 80 99 A P T 3 S+ 0 0 119 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.746 137.6 47.0 -53.5 -29.7 8.0 -22.7 5.8 81 100 A R T >> S+ 0 0 179 -3,-0.3 4,-1.5 1,-0.2 3,-1.5 -0.061 71.4 130.3-107.2 36.4 9.7 -22.8 2.4 82 101 A W H <> + 0 0 23 -3,-1.8 4,-3.3 1,-0.3 -1,-0.2 0.874 62.6 66.8 -52.2 -45.0 9.6 -19.1 1.8 83 102 A Q H 34 S+ 0 0 131 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.766 108.3 39.4 -50.6 -29.8 13.3 -18.9 1.0 84 103 A E H <4 S+ 0 0 162 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.818 122.6 39.4 -89.6 -35.7 12.6 -20.9 -2.1 85 104 A V H < S+ 0 0 85 -4,-1.5 -2,-0.2 -7,-0.1 -3,-0.2 0.822 84.6 102.4 -86.9 -36.0 9.4 -19.3 -3.2 86 105 A I S < S- 0 0 20 -4,-3.3 2,-0.1 -5,-0.2 -56,-0.1 -0.126 73.4-116.8 -49.9 146.4 9.8 -15.6 -2.5 87 106 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.350 20.4-162.2 -83.8 167.9 10.4 -13.6 -5.6 88 107 A Y - 0 0 104 -2,-0.1 -54,-0.0 -51,-0.0 -2,-0.0 -0.818 20.5-170.6-152.4 103.3 13.5 -11.6 -6.5 89 108 A T > - 0 0 16 -2,-0.3 4,-3.1 1,-0.1 3,-0.2 -0.431 37.8-101.5 -99.5 168.8 12.9 -9.1 -9.3 90 109 A P H > S+ 0 0 72 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.882 122.3 49.7 -54.3 -42.4 15.1 -6.8 -11.5 91 110 A A H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 103,-0.1 0.838 112.1 47.4 -67.6 -34.5 14.2 -3.7 -9.4 92 111 A M H > S+ 0 0 0 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.938 110.9 53.4 -69.4 -45.1 15.0 -5.6 -6.2 93 112 A Q H X S+ 0 0 75 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.871 107.0 51.7 -55.8 -41.6 18.3 -6.7 -7.8 94 113 A R H X S+ 0 0 114 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.932 108.0 49.0 -64.0 -47.1 19.2 -3.1 -8.7 95 114 A Y H X S+ 0 0 2 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.904 113.0 50.6 -56.2 -43.8 18.7 -1.7 -5.2 96 115 A V H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.878 110.1 48.3 -63.0 -43.2 20.8 -4.6 -3.9 97 116 A K H X S+ 0 0 135 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.934 110.5 50.1 -65.9 -46.0 23.7 -4.0 -6.3 98 117 A R H X S+ 0 0 41 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.944 109.2 53.8 -56.8 -46.2 23.8 -0.3 -5.6 99 118 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.914 112.1 44.3 -53.4 -45.4 23.9 -1.3 -1.9 100 119 A H H X S+ 0 0 57 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.888 110.7 53.3 -69.4 -38.3 26.9 -3.5 -2.7 101 120 A E H X>S+ 0 0 93 -4,-3.1 4,-3.8 2,-0.2 5,-0.8 0.948 112.5 44.8 -60.1 -50.4 28.7 -1.0 -4.9 102 121 A V H X5S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 7,-0.2 0.919 114.2 48.2 -59.9 -47.3 28.5 1.7 -2.2 103 122 A G H <5S+ 0 0 1 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.831 123.0 34.6 -63.8 -32.5 29.6 -0.7 0.6 104 123 A R H <5S+ 0 0 165 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.923 132.9 21.0 -85.9 -53.4 32.5 -1.9 -1.5 105 124 A T H <5S+ 0 0 101 -4,-3.8 -3,-0.2 -5,-0.3 -2,-0.1 0.836 134.9 17.6 -91.5 -39.7 33.6 1.2 -3.5 106 125 A E ><< + 0 0 54 -5,-0.8 3,-2.3 -4,-0.7 4,-0.2 -0.395 60.6 167.0-138.6 65.6 32.4 4.3 -1.7 107 126 A P G > + 0 0 26 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.603 68.2 78.0 -49.7 -21.9 31.4 3.4 2.0 108 127 A E G 3 S+ 0 0 48 1,-0.3 3,-0.2 2,-0.2 4,-0.1 0.692 95.2 51.0 -65.7 -17.6 31.3 7.1 3.0 109 128 A L G X> S+ 0 0 2 -3,-2.3 3,-1.5 -7,-0.2 4,-1.0 0.504 82.8 90.9 -95.7 -7.2 27.9 7.1 1.3 110 129 A L H <> S+ 0 0 0 -3,-1.4 4,-2.2 1,-0.3 3,-0.3 0.868 78.5 63.5 -57.8 -34.8 26.7 4.0 3.2 111 130 A V H 3> S+ 0 0 0 -4,-0.5 4,-2.2 -57,-0.3 -1,-0.3 0.844 95.5 61.2 -56.3 -34.6 25.3 6.4 5.8 112 131 A A H <> S+ 0 0 0 -3,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.925 109.6 38.9 -59.1 -49.0 22.9 7.7 3.0 113 132 A H H X S+ 0 0 1 -4,-1.0 4,-2.1 -3,-0.3 5,-0.3 0.798 112.9 55.7 -72.9 -30.9 21.3 4.3 2.6 114 133 A A H X>S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.5 0.876 111.4 46.0 -67.1 -38.1 21.3 3.5 6.3 115 134 A Y H X>S+ 0 0 17 -4,-2.2 5,-1.1 -5,-0.2 4,-1.1 0.947 112.4 47.8 -67.1 -54.0 19.4 6.7 6.9 116 135 A T H <5S+ 0 0 12 -4,-2.0 4,-0.4 -5,-0.2 5,-0.2 0.918 121.1 38.0 -53.1 -49.7 16.8 6.3 4.2 117 136 A R H X5S+ 0 0 19 -4,-2.1 4,-2.9 3,-0.2 5,-0.2 0.996 124.7 33.0 -67.7 -68.7 16.1 2.7 5.2 118 137 A Y H X5S+ 0 0 9 -4,-2.0 4,-2.5 -5,-0.3 -3,-0.2 0.951 125.0 37.7 -58.5 -60.5 16.3 2.8 9.0 119 138 A L H XX S+ 0 0 20 -4,-1.7 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171.3-131.5 118.1 38.8 8.1 51.0 354 173 B A S S+ 0 0 112 -2,-0.4 2,-0.7 1,-0.3 -1,-0.1 0.873 76.8 37.7 -90.5 -48.5 41.2 6.6 53.6 355 174 B S > - 0 0 44 1,-0.2 4,-2.5 2,-0.0 -1,-0.3 -0.874 60.1-173.7-110.4 98.1 41.2 2.9 52.6 356 175 B A H > S+ 0 0 17 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.883 89.6 57.0 -55.2 -35.3 41.1 2.6 48.8 357 176 B T H > S+ 0 0 87 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 107.4 42.4 -61.4 -53.5 40.7 -1.1 49.6 358 177 B K H > S+ 0 0 155 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 116.2 50.7 -63.7 -39.5 37.6 -0.9 51.8 359 178 B F H X S+ 0 0 14 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.943 108.2 49.5 -65.8 -48.5 36.0 1.6 49.4 360 179 B K H X S+ 0 0 25 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.893 113.1 49.4 -56.0 -39.1 36.6 -0.5 46.2 361 180 B Q H X S+ 0 0 114 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.854 112.9 45.2 -67.9 -37.1 35.1 -3.4 48.1 362 181 B L H X S+ 0 0 76 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.861 114.6 50.7 -73.3 -35.8 32.1 -1.4 49.2 363 182 B Y H X S+ 0 0 1 -4,-3.3 4,-1.9 2,-0.2 -2,-0.2 0.890 108.8 49.8 -69.4 -40.6 31.8 -0.0 45.7 364 183 B R H X S+ 0 0 72 -4,-2.8 4,-2.1 -5,-0.2 -154,-0.3 0.911 110.0 50.9 -65.7 -39.6 31.9 -3.5 44.1 365 184 B S H X S+ 0 0 56 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.874 107.7 53.1 -65.5 -36.3 29.2 -4.8 46.4 366 185 B R H >X S+ 0 0 93 -4,-1.7 3,-0.7 1,-0.2 4,-0.6 0.908 108.5 50.1 -65.0 -39.2 27.1 -1.8 45.5 367 186 B M H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.905 109.6 51.6 -63.5 -38.3 27.5 -2.7 41.8 368 187 B N H 3< S+ 0 0 55 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.623 103.5 58.0 -72.6 -13.9 26.5 -6.3 42.7 369 188 B S H << S+ 0 0 60 -4,-0.9 2,-0.3 -3,-0.7 -1,-0.3 0.559 80.3 111.7 -89.8 -12.3 23.4 -5.0 44.4 370 189 B L S << S- 0 0 16 -3,-1.0 2,-0.5 -4,-0.6 -161,-0.1 -0.497 73.2-128.9 -66.0 122.1 22.4 -3.3 41.2 371 190 B E + 0 0 184 -2,-0.3 2,-0.3 -118,-0.2 -1,-0.1 -0.622 45.1 150.7 -77.2 119.2 19.4 -5.2 39.9 372 191 B M - 0 0 58 -2,-0.5 -118,-0.0 4,-0.0 -2,-0.0 -0.999 39.2-123.8-152.9 157.7 19.8 -6.3 36.3 373 192 B T > - 0 0 76 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.404 39.9-101.0 -91.0 169.1 18.9 -8.9 33.7 374 193 B P H > S+ 0 0 106 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.859 123.4 47.1 -60.0 -35.4 21.2 -11.0 31.6 375 194 B A H > S+ 0 0 57 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.869 111.7 48.7 -73.9 -38.9 20.7 -8.7 28.6 376 195 B V H > S+ 0 0 32 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.885 109.8 54.4 -68.6 -35.2 21.2 -5.5 30.5 377 196 B R H X S+ 0 0 65 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.827 104.0 53.7 -67.2 -33.7 24.4 -7.0 32.1 378 197 B Q H X S+ 0 0 143 -4,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.904 109.0 49.2 -69.1 -38.0 25.9 -7.8 28.7 379 198 B R H X S+ 0 0 95 -4,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.837 107.3 54.9 -68.0 -33.2 25.4 -4.1 27.6 380 199 B V H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.923 111.3 44.7 -65.4 -42.4 27.0 -2.9 30.8 381 200 B I H X S+ 0 0 35 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.934 114.3 48.2 -66.3 -47.6 30.1 -5.1 30.1 382 201 B E H X S+ 0 0 107 -4,-2.7 4,-2.6 1,-0.2 3,-0.3 0.940 109.4 53.7 -58.8 -45.2 30.2 -4.0 26.4 383 202 B E H X S+ 0 0 9 -4,-3.1 4,-2.2 1,-0.3 -1,-0.2 0.885 104.3 55.5 -57.4 -37.0 29.8 -0.3 27.6 384 203 B A H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.911 108.6 48.8 -60.7 -38.7 32.8 -0.9 29.8 385 204 B K H X S+ 0 0 73 -4,-1.8 4,-1.9 -3,-0.3 -2,-0.2 0.923 107.8 52.8 -65.8 -44.2 34.6 -2.0 26.6 386 205 B T H X S+ 0 0 35 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.848 106.1 55.7 -59.7 -34.9 33.5 1.1 24.8 387 206 B A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.903 106.4 49.1 -64.6 -41.7 34.8 3.2 27.6 388 207 B F H X S+ 0 0 31 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.834 110.0 52.5 -67.2 -32.4 38.3 1.6 27.2 389 208 B L H X S+ 0 0 84 -4,-1.9 4,-3.5 2,-0.2 5,-0.3 0.937 106.8 50.8 -68.2 -48.0 38.2 2.3 23.5 390 209 B L H X S+ 0 0 17 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.849 114.3 45.5 -58.1 -35.5 37.3 6.0 24.0 391 210 B N H X S+ 0 0 14 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.900 112.6 51.0 -74.1 -41.4 40.3 6.3 26.4 392 211 B I H X S+ 0 0 75 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.941 113.4 44.1 -60.7 -48.0 42.5 4.3 24.0 393 212 B Q H X S+ 0 0 67 -4,-3.5 4,-2.6 2,-0.2 -1,-0.2 0.847 110.8 55.9 -66.0 -35.0 41.6 6.6 21.1 394 213 B L H X S+ 0 0 2 -4,-1.7 4,-2.3 -5,-0.3 5,-0.2 0.960 111.0 42.9 -61.7 -52.1 42.0 9.7 23.2 395 214 B F H X S+ 0 0 95 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.891 112.6 53.5 -61.9 -40.5 45.5 8.8 24.1 396 215 B E H X S+ 0 0 119 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.909 111.4 46.8 -61.1 -40.7 46.3 7.7 20.6 397 216 B E H X S+ 0 0 29 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.868 108.3 52.6 -69.4 -37.2 45.0 11.2 19.4 398 217 B L H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.735 104.3 63.9 -68.5 -19.6 47.0 13.1 22.1 399 218 B Q H X S+ 0 0 118 -4,-1.1 4,-1.8 -5,-0.2 -2,-0.2 0.964 99.9 46.2 -67.1 -55.9 49.9 11.0 20.6 400 219 B E H < S+ 0 0 143 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.767 115.6 51.4 -59.8 -26.0 49.8 12.6 17.1 401 220 B L H >< S+ 0 0 81 -4,-1.1 3,-0.6 1,-0.2 -2,-0.2 0.987 109.6 43.2 -74.0 -66.8 49.5 16.0 18.8 402 221 B L H 3< S+ 0 0 73 -4,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.739 123.0 44.0 -51.6 -24.7 52.5 15.8 21.3 403 222 B T T 3< 0 0 98 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.601 360.0 360.0-126.5 73.5 54.5 14.3 18.4 404 223 B H < 0 0 219 -3,-0.6 -3,-0.1 -2,-0.3 -4,-0.0 -0.869 360.0 360.0-130.1 360.0 53.9 16.2 15.1