==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 05-SEP-05 2C0K . COMPND 2 MOLECULE: HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GASTEROPHILUS INTESTINALIS; . AUTHOR A.PESCE,M.NARDINI,S.DEWILDE,D.HOOGEWIJS,P.ASCENZI,L.MOENS, . 298 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 84.6 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 . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 0 0 0 0 0 0 1 1 4 0 0 2 1 1 0 2 0 0 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 1 A M 0 0 9 0, 0.0 79,-2.2 0, 0.0 80,-0.2 0.000 360.0 360.0 360.0 113.3 9.1 -7.9 -5.6 2 2 A N > - 0 0 70 77,-0.2 4,-1.3 1,-0.1 5,-0.1 0.057 360.0-124.0 -48.5 164.8 8.1 -11.6 -6.2 3 3 A S H > S+ 0 0 85 2,-0.2 4,-1.4 1,-0.1 5,-0.1 0.824 118.8 45.1 -77.1 -37.4 7.9 -13.6 -9.4 4 4 A E H > S+ 0 0 141 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.797 111.7 53.8 -72.8 -30.1 4.2 -14.3 -8.5 5 5 A E H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.898 107.4 49.8 -71.1 -40.0 3.6 -10.7 -7.6 6 6 A V H X S+ 0 0 13 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.916 112.4 47.2 -61.8 -47.1 5.0 -9.4 -11.1 7 7 A N H X S+ 0 0 95 -4,-1.4 4,-2.8 1,-0.2 5,-0.2 0.858 110.1 52.6 -68.3 -33.2 2.8 -11.8 -13.0 8 8 A D H X S+ 0 0 34 -4,-1.6 4,-2.1 2,-0.2 5,-0.3 0.896 109.0 49.7 -67.2 -39.7 -0.3 -10.8 -10.9 9 9 A I H X S+ 0 0 1 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.887 114.8 45.2 -66.5 -39.1 0.3 -7.1 -11.6 10 10 A K H X S+ 0 0 66 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.947 112.9 48.3 -67.7 -51.5 0.6 -7.9 -15.4 11 11 A R H < S+ 0 0 132 -4,-2.8 4,-0.5 1,-0.2 3,-0.2 0.957 119.2 38.4 -56.8 -51.4 -2.4 -10.2 -15.7 12 12 A T H >X S+ 0 0 8 -4,-2.1 3,-0.9 -5,-0.2 4,-0.8 0.834 110.1 60.3 -70.2 -33.9 -4.8 -7.8 -13.8 13 13 A W H >X S+ 0 0 2 -4,-1.6 4,-2.4 -5,-0.3 3,-0.9 0.889 92.7 66.6 -65.7 -36.5 -3.3 -4.6 -15.3 14 14 A E H 3X S+ 0 0 114 -4,-1.8 4,-0.7 1,-0.3 -1,-0.2 0.784 95.3 58.6 -49.5 -35.8 -4.2 -5.8 -18.9 15 15 A V H <4 S+ 0 0 63 -3,-0.9 -1,-0.3 -4,-0.5 4,-0.2 0.873 110.0 41.4 -64.9 -39.0 -7.9 -5.5 -18.0 16 16 A V H X< S+ 0 0 1 -3,-0.9 3,-1.6 -4,-0.8 7,-0.2 0.871 109.1 59.5 -74.9 -38.5 -7.5 -1.8 -17.1 17 17 A A H >< S+ 0 0 24 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.653 91.8 70.8 -65.1 -16.5 -5.3 -1.1 -20.2 18 18 A A T 3< S+ 0 0 86 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.738 111.5 26.8 -71.4 -22.3 -8.2 -2.3 -22.4 19 19 A K T <> S+ 0 0 79 -3,-1.6 4,-2.2 -4,-0.2 3,-0.3 -0.383 73.4 160.3-138.4 53.9 -10.2 0.9 -21.6 20 20 A M H <> S+ 0 0 21 -3,-0.6 4,-2.5 1,-0.2 5,-0.1 0.814 74.0 47.5 -52.8 -45.8 -7.6 3.6 -20.8 21 21 A T H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 112.7 48.0 -68.9 -40.2 -9.8 6.6 -21.3 22 22 A E H > S+ 0 0 147 -3,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.852 116.2 44.9 -67.9 -34.6 -12.8 5.3 -19.3 23 23 A A H X S+ 0 0 4 -4,-2.2 4,-2.5 -7,-0.2 -2,-0.2 0.855 111.1 53.8 -74.3 -36.7 -10.4 4.3 -16.5 24 24 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.910 108.9 47.4 -66.1 -44.3 -8.6 7.7 -16.6 25 25 A V H X S+ 0 0 21 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.958 113.7 47.8 -60.2 -52.9 -11.7 9.8 -16.3 26 26 A E H X S+ 0 0 61 -4,-1.5 4,-1.8 -5,-0.2 5,-0.3 0.899 112.4 51.4 -51.7 -45.2 -12.9 7.6 -13.4 27 27 A M H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.957 112.0 44.0 -60.4 -50.2 -9.5 8.0 -11.8 28 28 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.856 113.2 49.9 -67.9 -36.5 -9.3 11.8 -12.1 29 29 A K H X S+ 0 0 73 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.836 112.4 46.2 -77.8 -31.6 -12.9 12.5 -10.9 30 30 A R H X S+ 0 0 76 -4,-1.8 4,-2.9 -5,-0.3 5,-0.3 0.907 113.9 52.1 -63.7 -44.6 -12.6 10.3 -7.8 31 31 A Y H X S+ 0 0 14 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.909 113.6 39.5 -63.8 -45.8 -9.3 11.9 -7.1 32 32 A F H < S+ 0 0 2 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.836 117.6 50.9 -76.2 -28.9 -10.5 15.5 -7.3 33 33 A K H < S+ 0 0 153 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.904 119.1 35.8 -70.3 -43.2 -13.7 14.7 -5.5 34 34 A K H < S+ 0 0 80 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.753 133.3 27.4 -84.6 -26.1 -11.9 12.9 -2.6 35 35 A Y >< + 0 0 27 -4,-1.9 3,-1.7 -5,-0.3 -1,-0.2 -0.498 67.6 167.9-136.1 68.8 -8.9 15.2 -2.6 36 36 A P G > + 0 0 75 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.679 68.1 72.9 -67.8 -19.5 -10.1 18.7 -3.8 37 37 A H G > S+ 0 0 86 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.865 85.0 67.3 -58.2 -34.8 -6.9 20.5 -2.7 38 38 A N G X S+ 0 0 3 -3,-1.7 3,-1.1 1,-0.3 4,-0.3 0.595 80.9 79.6 -65.8 -10.5 -5.0 18.8 -5.6 39 39 A L G X S+ 0 0 25 -3,-1.6 3,-2.3 1,-0.2 7,-0.3 0.839 76.3 73.1 -61.6 -32.2 -7.1 20.9 -8.0 40 40 A N G < S+ 0 0 96 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.722 90.6 57.7 -56.8 -22.2 -4.8 23.9 -7.2 41 41 A H G < S+ 0 0 50 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.634 106.1 51.0 -83.6 -16.6 -2.1 22.2 -9.3 42 42 A F X> + 0 0 39 -3,-2.3 3,-2.1 -4,-0.3 4,-1.1 -0.612 66.0 172.6-121.1 69.7 -4.4 22.1 -12.3 43 43 A P H >> S+ 0 0 56 0, 0.0 4,-1.1 0, 0.0 3,-0.5 0.845 77.7 58.2 -47.4 -43.2 -5.7 25.8 -12.6 44 44 A W H 34 S+ 0 0 104 1,-0.2 -2,-0.0 2,-0.2 -3,-0.0 0.777 103.6 53.1 -58.7 -28.9 -7.5 25.1 -15.9 45 45 A F H X4 S+ 0 0 2 -3,-2.1 3,-0.8 -6,-0.2 -1,-0.2 0.790 103.6 53.0 -84.8 -26.8 -9.6 22.3 -14.3 46 46 A K H << S+ 0 0 109 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.765 94.0 73.0 -74.7 -23.7 -11.0 24.4 -11.4 47 47 A E T 3< S+ 0 0 164 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.1 0.461 93.0 70.2 -67.9 0.8 -12.2 27.0 -13.9 48 48 A I S < S- 0 0 47 -3,-0.8 5,-0.1 2,-0.0 4,-0.0 -0.959 97.0 -99.7-127.5 134.4 -14.9 24.5 -14.9 49 49 A P >> - 0 0 85 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.267 38.5-121.8 -53.3 137.4 -18.0 23.3 -13.0 50 50 A F G >4 S+ 0 0 68 1,-0.3 3,-1.0 2,-0.2 -18,-0.1 0.790 107.9 53.7 -58.3 -40.2 -17.2 19.8 -11.5 51 51 A D G 34 S+ 0 0 139 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.547 105.5 57.7 -74.9 -5.5 -19.9 17.8 -13.2 52 52 A D G X4 S+ 0 0 97 -3,-2.0 3,-0.7 1,-0.1 -1,-0.2 0.580 85.0 81.0 -96.7 -14.0 -18.8 19.1 -16.6 53 53 A L G X< S+ 0 0 2 -3,-1.0 3,-2.4 -4,-0.5 6,-0.2 0.900 79.2 63.7 -63.6 -47.7 -15.2 17.8 -16.3 54 54 A P G 3 S+ 0 0 39 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.794 107.4 46.6 -46.0 -29.8 -15.8 14.1 -17.3 55 55 A E G < S+ 0 0 178 -3,-0.7 2,-0.4 -4,-0.1 -2,-0.2 -0.002 89.0 110.6-107.7 27.1 -16.9 15.4 -20.7 56 56 A N <> - 0 0 47 -3,-2.4 4,-2.1 1,-0.1 3,-0.4 -0.866 64.1-138.3-109.4 138.4 -14.0 17.8 -21.3 57 57 A A H > S+ 0 0 71 -2,-0.4 4,-2.1 1,-0.3 5,-0.2 0.875 102.0 45.7 -68.3 -42.5 -11.3 17.1 -24.0 58 58 A R H > S+ 0 0 140 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.762 113.5 54.0 -69.4 -21.7 -8.2 18.1 -22.1 59 59 A F H > S+ 0 0 1 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.862 110.2 42.4 -86.8 -39.7 -9.5 16.2 -19.1 60 60 A K H X S+ 0 0 85 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.903 115.9 51.4 -67.4 -42.8 -10.1 12.8 -20.9 61 61 A T H X S+ 0 0 69 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.865 109.5 48.7 -63.0 -38.0 -6.8 13.2 -22.7 62 62 A H H X S+ 0 0 59 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.895 108.5 53.3 -73.3 -40.7 -4.8 13.9 -19.5 63 63 A G H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 3,-0.3 0.958 109.7 49.1 -53.3 -54.4 -6.3 10.9 -17.6 64 64 A T H X S+ 0 0 29 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.926 108.1 53.8 -50.3 -49.3 -5.3 8.6 -20.5 65 65 A R H X S+ 0 0 172 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.839 105.7 52.7 -61.9 -37.1 -1.7 10.0 -20.5 66 66 A I H X S+ 0 0 38 -4,-1.9 4,-1.9 -3,-0.3 3,-0.2 0.958 113.9 43.3 -58.1 -47.9 -1.2 9.3 -16.7 67 67 A L H X S+ 0 0 5 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.801 108.0 58.2 -73.1 -29.4 -2.2 5.7 -17.2 68 68 A R H X S+ 0 0 133 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.823 107.7 47.3 -72.8 -31.9 -0.2 5.2 -20.4 69 69 A Q H X S+ 0 0 42 -4,-1.4 4,-1.6 -3,-0.2 -2,-0.2 0.900 110.6 51.2 -70.8 -42.2 3.0 6.1 -18.5 70 70 A V H X S+ 0 0 8 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.904 105.1 60.2 -53.7 -43.0 1.9 3.7 -15.7 71 71 A D H X S+ 0 0 6 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.898 102.6 49.5 -50.9 -48.5 1.5 1.1 -18.6 72 72 A E H X S+ 0 0 97 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.887 107.1 56.2 -62.8 -37.0 5.1 1.4 -19.6 73 73 A G H < S+ 0 0 0 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.909 107.2 48.2 -59.4 -44.9 6.1 0.9 -15.9 74 74 A V H >< S+ 0 0 4 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.808 109.4 54.5 -64.9 -30.7 4.2 -2.4 -15.7 75 75 A K H 3< S+ 0 0 135 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.845 110.9 43.7 -74.2 -33.8 5.9 -3.5 -19.0 76 76 A A T 3< S+ 0 0 8 -4,-1.8 2,-0.5 -5,-0.1 10,-0.4 0.283 87.8 123.5 -92.9 6.9 9.4 -3.0 -17.7 77 77 A L < + 0 0 5 -3,-0.6 2,-0.3 -5,-0.1 -3,-0.0 -0.601 33.0 164.1 -74.9 120.8 8.6 -4.6 -14.3 78 78 A S > - 0 0 38 -2,-0.5 3,-2.4 5,-0.1 5,-0.1 -0.853 48.1 -60.6-126.8 171.4 10.8 -7.5 -13.4 79 79 A V G > S+ 0 0 71 1,-0.3 3,-1.5 -2,-0.3 -77,-0.2 -0.166 125.0 1.1 -50.8 134.6 11.5 -9.4 -10.2 80 80 A D G 3 S- 0 0 110 -79,-2.2 -1,-0.3 1,-0.3 -78,-0.1 0.740 122.5 -79.3 53.8 27.8 13.0 -7.2 -7.5 81 81 A F G < S+ 0 0 22 -3,-2.4 -1,-0.3 -80,-0.2 -2,-0.2 0.920 83.5 160.9 46.7 48.4 12.6 -4.4 -10.1 82 82 A G < + 0 0 62 -3,-1.5 2,-0.5 4,-0.1 -1,-0.1 0.643 38.7 86.4 -79.5 -15.5 15.8 -5.8 -11.6 83 83 A D >> - 0 0 58 -7,-0.3 3,-2.5 1,-0.1 4,-0.5 -0.778 67.8-146.9 -96.3 120.3 15.5 -4.2 -15.1 84 84 A K H 3> S+ 0 0 89 -2,-0.5 4,-1.5 1,-0.3 -1,-0.1 0.666 93.2 77.7 -60.5 -19.3 16.9 -0.6 -15.5 85 85 A K H 3> S+ 0 0 117 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.807 88.6 59.1 -58.0 -29.4 14.2 0.1 -18.0 86 86 A F H <> S+ 0 0 0 -3,-2.5 4,-1.0 -10,-0.4 3,-0.3 0.947 102.4 50.1 -63.3 -51.5 11.9 0.5 -15.0 87 87 A D H X S+ 0 0 54 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.808 103.6 64.2 -52.3 -36.4 14.1 3.3 -13.5 88 88 A D H X S+ 0 0 90 -4,-1.5 4,-2.1 1,-0.2 3,-0.4 0.955 98.2 52.2 -52.5 -53.7 13.8 4.9 -17.0 89 89 A V H X S+ 0 0 9 -4,-1.3 4,-1.0 -3,-0.3 -1,-0.2 0.844 115.0 39.9 -54.5 -39.6 10.1 5.4 -16.8 90 90 A W H X S+ 0 0 9 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.642 108.3 59.1 -98.5 -14.2 10.2 7.2 -13.4 91 91 A K H X S+ 0 0 97 -4,-1.8 4,-1.4 -3,-0.4 -1,-0.2 0.822 104.3 55.2 -71.9 -30.6 13.3 9.2 -14.2 92 92 A K H X S+ 0 0 83 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.863 106.7 48.5 -67.5 -36.8 11.2 10.5 -17.1 93 93 A L H >X S+ 0 0 16 -4,-1.0 4,-2.4 1,-0.2 3,-1.3 0.938 105.2 60.5 -64.5 -46.7 8.5 11.6 -14.5 94 94 A A H 3X S+ 0 0 3 -4,-1.8 4,-1.3 1,-0.3 -2,-0.2 0.862 108.4 42.7 -43.2 -46.2 11.2 13.2 -12.4 95 95 A Q H 3< S+ 0 0 155 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.572 116.4 47.6 -87.1 -11.3 12.1 15.6 -15.3 96 96 A T H << S+ 0 0 95 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.728 121.4 33.0 -94.1 -27.1 8.5 16.3 -16.2 97 97 A H H >< S+ 0 0 67 -4,-2.4 3,-1.0 1,-0.1 5,-0.4 0.579 91.6 88.0-109.6 -13.5 7.2 17.0 -12.7 98 98 A H T 3< S+ 0 0 100 -4,-1.3 -1,-0.1 -5,-0.4 -3,-0.1 0.792 78.2 68.5 -60.6 -28.3 10.1 18.6 -11.0 99 99 A E T 3 S+ 0 0 70 -4,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.826 97.1 57.9 -67.0 -36.3 9.1 22.2 -12.2 100 100 A K S < S- 0 0 113 -3,-1.0 2,-1.0 -4,-0.1 -59,-0.0 -0.689 88.2-129.2 -82.3 147.5 6.0 22.1 -9.9 101 101 A K + 0 0 188 -2,-0.3 2,-0.6 2,-0.0 -3,-0.1 -0.634 43.0 164.6 -92.6 66.8 6.6 21.6 -6.3 102 102 A V - 0 0 31 -2,-1.0 2,-0.1 -5,-0.4 -2,-0.0 -0.812 32.2-135.1 -76.9 123.0 4.0 18.8 -6.0 103 103 A E >> - 0 0 127 -2,-0.6 3,-1.6 1,-0.1 4,-0.8 -0.410 18.2-103.8 -87.8 163.6 4.7 17.2 -2.6 104 104 A R H >> S+ 0 0 26 1,-0.3 4,-1.9 2,-0.2 3,-0.9 0.830 115.1 63.8 -55.0 -37.4 5.0 13.5 -1.9 105 105 A R H 3> S+ 0 0 89 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.815 97.1 57.3 -57.5 -35.7 1.6 13.4 -0.2 106 106 A S H <> S+ 0 0 7 -3,-1.6 4,-1.1 2,-0.2 -1,-0.3 0.830 106.6 47.9 -67.2 -35.6 -0.2 14.3 -3.4 107 107 A Y H X S+ 0 0 5 -4,-2.9 4,-1.1 1,-0.2 3,-0.6 0.900 105.4 55.4 -65.8 -36.8 -10.1 2.0 -9.7 118 118 A V H >X S+ 0 0 2 -4,-2.2 4,-3.2 -5,-0.2 3,-0.9 0.927 104.2 56.9 -53.8 -46.5 -8.2 -1.2 -10.7 119 119 A C H 3< S+ 0 0 48 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.780 103.2 52.9 -52.7 -36.7 -10.3 -2.9 -8.0 120 120 A S H << S+ 0 0 79 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.722 113.8 42.8 -79.9 -19.1 -13.5 -1.9 -9.7 121 121 A C H << S+ 0 0 31 -4,-1.1 2,-0.3 -3,-0.9 -2,-0.2 0.894 131.8 11.6 -83.9 -48.2 -12.3 -3.3 -13.0 122 122 A V S < S- 0 0 37 -4,-3.2 2,-0.8 -5,-0.1 -1,-0.3 -0.985 81.3-113.6-129.7 144.4 -10.9 -6.6 -11.5 123 123 A K - 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0 0 78 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.434 27.4-119.9 -62.8 140.3 26.0 -13.4 13.5 200 50 B F G > S+ 0 0 76 1,-0.2 3,-1.2 2,-0.2 -2,-0.1 0.725 104.3 67.3 -58.6 -24.5 22.4 -13.3 12.2 201 51 B D G 3 S+ 0 0 153 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.850 109.8 32.1 -74.0 -37.8 21.5 -16.7 13.5 202 52 B D G < S+ 0 0 103 -3,-1.0 3,-0.4 1,-0.1 -1,-0.3 -0.025 94.2 97.6-104.7 30.9 21.7 -15.8 17.2 203 53 B L S X S+ 0 0 10 -3,-1.2 3,-1.9 1,-0.2 6,-0.2 0.838 71.8 64.5 -78.5 -36.5 20.6 -12.2 16.6 204 54 B P T 3 S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.438 103.2 49.9 -68.8 0.1 16.9 -13.0 17.5 205 55 B E T 3 S+ 0 0 57 -3,-0.4 2,-0.4 -30,-0.0 -2,-0.1 0.255 81.5 119.2-119.3 6.6 18.1 -13.7 21.1 206 56 B N X> - 0 0 41 -3,-1.9 4,-2.4 1,-0.1 3,-0.8 -0.623 65.8-133.1 -79.2 129.9 20.1 -10.5 21.5 207 57 B A H 3> S+ 0 0 76 -2,-0.4 4,-1.9 1,-0.3 -1,-0.1 0.809 105.3 41.9 -49.6 -37.5 18.9 -8.3 24.4 208 58 B R H 3> S+ 0 0 136 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.667 108.8 57.0 -97.0 -22.0 19.0 -5.1 22.4 209 59 B F H <> S+ 0 0 3 -3,-0.8 4,-2.0 -6,-0.2 -2,-0.2 0.912 111.0 46.6 -64.7 -51.4 17.5 -6.7 19.2 210 60 B K H X S+ 0 0 102 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.952 114.4 46.6 -49.0 -57.5 14.5 -7.7 21.4 211 61 B T H X S+ 0 0 90 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.871 110.6 51.3 -64.4 -37.0 14.2 -4.3 23.0 212 62 B H H X S+ 0 0 66 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.894 107.1 52.5 -69.5 -43.1 14.5 -2.3 19.7 213 63 B G H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 5,-0.2 0.932 110.3 50.3 -52.2 -46.0 11.8 -4.3 17.9 214 64 B T H X S+ 0 0 34 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.921 106.8 54.1 -61.8 -41.8 9.5 -3.5 20.9 215 65 B R H X S+ 0 0 97 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.874 107.3 51.1 -61.0 -42.4 10.3 0.2 20.8 216 66 B I H >X S+ 0 0 34 -4,-2.0 4,-2.0 2,-0.2 3,-0.8 0.973 113.7 41.4 -58.4 -59.4 9.3 0.5 17.1 217 67 B L H 3X S+ 0 0 3 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.838 108.3 62.5 -61.3 -33.6 5.9 -1.2 17.4 218 68 B R H 3X S+ 0 0 148 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.832 105.8 45.6 -63.4 -31.3 5.3 0.7 20.7 219 69 B Q H < S+ 0 0 4 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.888 108.8 54.3 -61.9 -42.2 -3.0 3.6 16.1 225 75 B K H 3< S+ 0 0 134 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.862 111.2 46.0 -60.3 -35.9 -4.5 5.0 19.4 226 76 B A H 3< S+ 0 0 16 -4,-1.4 10,-0.3 -3,-0.2 -1,-0.2 0.549 85.2 119.3 -86.7 -10.3 -4.6 8.5 17.9 227 77 B L << + 0 0 5 -3,-0.8 2,-0.3 -4,-0.7 -3,-0.0 -0.331 35.5 161.9 -56.4 130.4 -6.1 7.4 14.5 228 78 B S > - 0 0 40 5,-0.1 3,-2.5 1,-0.0 4,-0.2 -0.935 49.0 -51.2-142.3 173.3 -9.4 9.0 13.7 229 79 B V G > S- 0 0 66 1,-0.3 3,-2.3 -2,-0.3 -77,-0.2 -0.099 123.8 -8.2 -48.2 129.9 -11.5 9.6 10.6 230 80 B D G 3 S- 0 0 103 -79,-2.8 -1,-0.3 1,-0.3 -78,-0.1 0.734 120.2 -74.9 50.1 27.1 -9.5 11.3 7.8 231 81 B F G < S+ 0 0 19 -3,-2.5 -1,-0.3 -80,-0.2 -2,-0.2 0.769 87.1 155.1 63.8 27.4 -6.7 11.7 10.3 232 82 B G < + 0 0 59 -3,-2.3 2,-0.3 -4,-0.2 -2,-0.1 0.905 42.1 82.9 -56.7 -52.0 -8.7 14.6 11.9 233 83 B D S > S- 0 0 85 -7,-0.2 3,-2.0 1,-0.2 4,-0.4 -0.372 70.4-149.1 -61.1 118.6 -7.2 14.4 15.4 234 84 B K T 3> S+ 0 0 61 1,-0.3 4,-0.8 -2,-0.3 -1,-0.2 0.510 89.1 82.2 -71.1 -2.5 -3.9 16.4 15.4 235 85 B K H 3> S+ 0 0 43 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.730 84.4 61.0 -72.0 -21.6 -2.6 14.0 18.1 236 86 B F H X> S+ 0 0 0 -3,-2.0 4,-1.1 -10,-0.3 3,-0.7 0.924 98.9 56.0 -62.0 -45.8 -1.8 11.7 15.2 237 87 B D H 3> S+ 0 0 52 -4,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.784 101.6 58.6 -57.0 -30.1 0.6 14.4 13.8 238 88 B D H 3X S+ 0 0 102 -4,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.782 97.7 56.3 -80.6 -28.7 2.6 14.5 17.1 239 89 B V H < S+ 0 0 56 -4,-2.3 3,-1.4 -3,-0.3 5,-0.3 0.524 92.9 90.9-102.6 -8.4 15.5 10.2 13.1 248 98 B H T 3< S+ 0 0 86 -4,-2.0 4,-0.2 1,-0.3 -1,-0.1 0.922 80.0 58.7 -52.5 -51.1 16.5 13.5 11.4 249 99 B E T 3 S+ 0 0 163 -4,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.240 96.6 75.6 -73.5 16.2 20.3 13.3 12.3 250 100 B K S < S- 0 0 74 -3,-1.4 2,-2.1 2,-0.1 -59,-0.0 -0.987 89.3-125.0-129.2 120.7 20.5 10.0 10.4 251 101 B K + 0 0 141 -2,-0.4 2,-0.8 1,-0.1 -3,-0.1 -0.393 44.7 175.9 -69.1 83.4 20.5 10.1 6.6 252 102 B V - 0 0 26 -2,-2.1 -1,-0.1 -5,-0.3 5,-0.1 -0.798 25.1-134.7-107.3 103.6 17.6 7.8 6.4 253 103 B E >> - 0 0 121 -2,-0.8 4,-1.2 1,-0.1 3,-1.1 -0.286 11.0-133.0 -61.2 129.2 16.2 7.1 2.9 254 104 B R H >> S+ 0 0 25 1,-0.3 4,-2.2 2,-0.2 3,-0.5 0.855 105.2 65.7 -40.9 -40.5 12.5 7.2 2.5 255 105 B R H 3> S+ 0 0 73 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.895 97.1 49.9 -55.4 -46.9 12.9 4.0 0.5 256 106 B S H <> S+ 0 0 11 -3,-1.1 4,-1.5 1,-0.2 -1,-0.3 0.771 107.6 54.9 -72.6 -22.6 14.0 2.0 3.5 257 107 B Y H X S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.3 3,-1.1 0.931 107.5 53.6 -58.1 -42.6 0.4 -8.2 11.1 269 119 B C H 3< S+ 0 0 47 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.735 104.4 54.0 -66.5 -25.3 -1.0 -10.4 8.4 270 120 B S H 3< S+ 0 0 74 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.612 109.8 47.5 -87.9 -11.4 0.5 -13.5 9.9 271 121 B C H << S+ 0 0 38 -3,-1.1 2,-0.3 -4,-0.8 -2,-0.2 0.849 130.4 8.8 -92.3 -44.8 -1.1 -12.8 13.3 272 122 B V S < S- 0 0 40 -4,-2.1 2,-0.6 -5,-0.1 -1,-0.4 -0.984 86.0-111.5-131.4 146.5 -4.6 -12.0 12.1 273 123 B K - 0 0 91 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.687 34.0-162.4 -82.8 116.7 -5.8 -12.6 8.5 274 124 B L - 0 0 8 -2,-0.6 -148,-0.2 -5,-0.2 2,-0.1 -0.724 7.8-139.3 -94.4 145.1 -6.6 -9.3 6.7 275 125 B N > - 0 0 63 -2,-0.3 4,-1.8 -150,-0.1 3,-0.2 -0.323 38.8 -87.8 -89.5-175.9 -8.7 -8.9 3.6 276 126 B E H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.812 124.8 52.7 -71.0 -29.8 -7.8 -6.6 0.6 277 127 B K H > S+ 0 0 140 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.837 110.0 49.6 -70.9 -33.1 -9.6 -3.5 2.1 278 128 B Q H > S+ 0 0 20 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.854 108.6 50.7 -74.7 -38.1 -7.7 -3.8 5.3 279 129 B V H X S+ 0 0 4 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.911 110.8 51.5 -61.1 -42.5 -4.3 -4.1 3.6 280 130 B H H X S+ 0 0 15 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.948 109.4 49.6 -59.3 -47.1 -5.2 -1.0 1.6 281 131 B A H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.879 107.2 53.6 -61.3 -41.4 -6.0 0.9 4.9 282 132 B Y H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.890 106.0 53.5 -63.9 -40.6 -2.7 -0.1 6.6 283 133 B H H X S+ 0 0 1 -4,-1.8 4,-3.4 2,-0.2 -1,-0.2 0.947 109.7 47.2 -56.3 -50.9 -0.7 1.3 3.7 284 134 B K H X S+ 0 0 16 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.896 108.2 57.3 -60.4 -41.3 -2.4 4.7 3.8 285 135 B F H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.951 116.3 34.4 -47.9 -55.2 -1.9 4.7 7.6 286 136 B F H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.848 113.1 60.2 -76.5 -32.5 1.8 4.4 7.2 287 137 B D H X S+ 0 0 6 -4,-3.4 4,-1.9 -5,-0.2 -1,-0.2 0.910 111.9 39.9 -59.1 -42.2 1.9 6.5 4.0 288 138 B R H X S+ 0 0 41 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.872 109.8 58.3 -80.3 -38.4 0.5 9.5 5.8 289 139 B A H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.928 112.3 43.4 -47.4 -47.8 2.6 8.8 9.0 290 140 B Y H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.890 108.7 55.4 -72.3 -42.4 5.7 9.1 6.8 291 141 B D H X S+ 0 0 16 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.936 112.5 44.7 -54.7 -47.4 4.4 12.2 4.8 292 142 B I H X S+ 0 0 22 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.915 113.1 51.3 -59.3 -46.2 4.0 14.0 8.1 293 143 B A H X S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.3 -2,-0.2 0.849 113.4 43.1 -63.3 -37.5 7.4 12.8 9.4 294 144 B F H X S+ 0 0 54 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.839 109.2 55.5 -83.8 -36.8 9.4 13.9 6.3 295 145 B A H < S+ 0 0 66 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.840 110.4 49.4 -56.0 -35.2 7.7 17.3 5.9 296 146 B E H >< S+ 0 0 68 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.860 106.5 52.4 -77.3 -36.2 8.8 17.9 9.5 297 147 B M H 3< S+ 0 0 25 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.787 87.1 85.4 -67.1 -26.6 12.3 16.8 8.8 298 148 B A T 3< 0 0 92 -4,-1.5 -1,-0.3 1,-0.4 -2,-0.2 0.375 360.0 360.0 -68.6 20.0 12.3 19.4 5.9 299 149 B K < 0 0 125 -3,-0.9 -1,-0.4 -5,-0.1 -2,-0.1 0.085 360.0 360.0 -87.0 360.0 13.2 21.6 8.7