==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 26-JUL-12 4B3W . COMPND 2 MOLECULE: CYTOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.GABBA,S.ABBRUZZETTI,F.SPYRAKIS,F.FORTI,S.BRUNO,A.MOZZARELL . 308 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16715.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 81.5 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 . 42 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 1 2 0 0 0 0 0 0 0 2 2 2 2 1 1 0 0 0 0 0 2 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 18 A E 0 0 190 0, 0.0 2,-0.2 0, 0.0 78,-0.0 0.000 360.0 360.0 360.0 165.8 -5.2 -1.0 -5.6 2 19 A L - 0 0 35 77,-0.3 2,-0.1 1,-0.2 131,-0.0 -0.507 360.0-112.0-113.5 175.1 -4.2 2.0 -7.7 3 20 A S > - 0 0 54 -2,-0.2 4,-0.8 1,-0.0 -1,-0.2 -0.146 37.8-102.5 -87.7-168.5 -1.0 3.9 -8.7 4 21 A E H > S+ 0 0 112 2,-0.2 4,-1.6 3,-0.1 5,-0.1 0.725 123.0 48.9 -86.4 -26.7 -0.1 7.5 -7.6 5 22 A A H > S+ 0 0 68 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.887 113.6 44.7 -78.5 -40.8 -1.1 8.8 -11.0 6 23 A E H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.891 113.5 51.3 -67.3 -41.3 -4.5 7.0 -11.1 7 24 A R H X S+ 0 0 57 -4,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.918 112.6 46.0 -59.9 -45.7 -5.1 8.1 -7.5 8 25 A K H X S+ 0 0 115 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.821 110.9 52.6 -67.7 -33.5 -4.4 11.7 -8.4 9 26 A A H X S+ 0 0 23 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.841 112.1 45.5 -71.2 -35.5 -6.5 11.5 -11.5 10 27 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.880 113.1 49.2 -73.1 -41.3 -9.5 10.2 -9.5 11 28 A Q H X S+ 0 0 41 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.853 107.8 54.3 -69.9 -34.9 -9.1 12.7 -6.7 12 29 A A H X S+ 0 0 59 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.843 111.5 46.2 -64.7 -36.6 -8.8 15.7 -9.2 13 30 A M H X S+ 0 0 9 -4,-1.0 4,-2.4 2,-0.2 3,-0.4 0.954 113.2 47.7 -65.5 -55.4 -12.2 14.5 -10.7 14 31 A W H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.760 101.9 66.6 -59.0 -29.0 -13.8 14.1 -7.3 15 32 A A H < S+ 0 0 64 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.968 109.3 36.5 -55.2 -53.2 -12.4 17.5 -6.3 16 33 A R H >X S+ 0 0 131 -4,-1.2 3,-1.3 -3,-0.4 4,-0.8 0.935 115.7 53.6 -65.6 -49.7 -14.8 19.1 -8.9 17 34 A L H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.889 108.9 49.2 -49.9 -45.2 -17.7 16.6 -8.3 18 35 A Y G >< S+ 0 0 83 -4,-2.4 3,-1.2 1,-0.2 -1,-0.3 0.529 89.1 81.6 -81.9 -8.1 -17.7 17.4 -4.6 19 36 A A G <4 S+ 0 0 81 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 0.948 113.8 20.4 -57.3 -51.1 -17.7 21.1 -5.1 20 37 A N G S+ 0 0 14 -3,-1.2 4,-2.8 -2,-0.3 5,-0.2 0.853 70.9 52.2 -59.7 -38.0 -21.8 17.4 -3.9 22 39 A E H > S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.971 111.1 43.8 -64.2 -55.7 -25.5 18.0 -3.2 23 40 A D H > S+ 0 0 102 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.648 119.3 45.6 -67.6 -14.2 -26.6 18.8 -6.7 24 41 A V H X S+ 0 0 6 -4,-1.2 4,-2.2 -7,-0.2 -2,-0.2 0.872 109.2 51.9 -92.2 -47.7 -24.5 15.9 -8.1 25 42 A G H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.857 110.3 52.5 -52.2 -38.1 -25.6 13.3 -5.5 26 43 A V H X S+ 0 0 5 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.929 105.5 51.2 -68.4 -45.7 -29.1 14.1 -6.4 27 44 A A H X S+ 0 0 44 -4,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.891 112.7 49.8 -57.3 -39.0 -28.6 13.7 -10.2 28 45 A I H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.956 113.9 41.6 -62.5 -55.5 -27.1 10.3 -9.3 29 46 A L H X S+ 0 0 8 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.863 113.1 52.9 -67.4 -37.3 -30.0 9.1 -7.1 30 47 A V H X S+ 0 0 18 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.939 112.9 44.5 -62.9 -45.5 -32.8 10.4 -9.3 31 48 A R H X S+ 0 0 53 -4,-1.8 4,-2.7 -5,-0.3 5,-0.3 0.896 110.9 55.4 -65.3 -38.2 -31.3 8.6 -12.3 32 49 A F H X S+ 0 0 16 -4,-2.4 4,-0.9 1,-0.2 7,-0.3 0.884 113.8 40.4 -57.2 -40.6 -30.8 5.4 -10.1 33 50 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.755 116.4 48.5 -85.9 -26.2 -34.5 5.5 -9.2 34 51 A V H < S+ 0 0 44 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.928 119.2 37.2 -75.5 -46.8 -35.8 6.4 -12.6 35 52 A N H < S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.661 131.6 29.9 -81.9 -17.9 -33.8 3.8 -14.6 36 53 A F >< + 0 0 5 -4,-0.9 3,-2.1 -5,-0.3 4,-0.4 -0.571 63.4 171.2-141.6 76.2 -34.1 1.1 -11.8 37 54 A P G >> S+ 0 0 58 0, 0.0 4,-0.7 0, 0.0 3,-0.7 0.688 75.5 72.0 -59.9 -23.6 -37.4 1.5 -9.9 38 55 A S G 34 S+ 0 0 39 1,-0.2 4,-0.3 2,-0.2 3,-0.2 0.744 88.4 63.8 -61.3 -24.4 -36.8 -1.8 -8.1 39 56 A A G X4 S+ 0 0 3 -3,-2.1 3,-1.0 -7,-0.3 -1,-0.2 0.814 91.4 63.8 -68.9 -33.2 -34.0 0.1 -6.2 40 57 A K G X4 S+ 0 0 21 -3,-0.7 3,-3.6 -4,-0.4 7,-0.3 0.867 82.3 80.0 -56.0 -42.3 -36.6 2.4 -4.5 41 58 A Q G 3< S+ 0 0 122 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.746 86.6 57.7 -35.8 -40.4 -38.2 -0.6 -2.8 42 59 A Y G < S+ 0 0 65 -3,-1.0 2,-0.7 -4,-0.3 -1,-0.3 0.590 94.2 78.7 -72.7 -11.7 -35.5 -0.5 -0.1 43 60 A F X> - 0 0 56 -3,-3.6 4,-3.0 -4,-0.2 3,-0.9 -0.867 56.5-168.6-111.3 105.0 -36.3 3.1 0.9 44 61 A S T 34 S+ 0 0 94 -2,-0.7 -1,-0.1 1,-0.2 4,-0.1 0.719 92.7 54.1 -58.9 -23.0 -39.3 3.7 3.1 45 62 A Q T 34 S+ 0 0 96 1,-0.1 -1,-0.2 -5,-0.1 16,-0.1 0.797 124.0 19.9 -79.0 -32.1 -38.9 7.4 2.2 46 63 A F T X4 S+ 0 0 3 -3,-0.9 3,-2.8 -6,-0.3 -2,-0.2 0.542 88.7 102.5-120.9 -13.8 -38.9 7.1 -1.5 47 64 A K T 3< S+ 0 0 104 -4,-3.0 -6,-0.1 -7,-0.3 -3,-0.1 0.637 88.5 47.3 -52.5 -18.5 -40.6 3.8 -2.3 48 65 A H T 3 S+ 0 0 167 -5,-0.2 2,-0.4 -4,-0.1 -1,-0.3 0.276 89.2 104.6-108.5 10.8 -43.8 5.5 -3.2 49 66 A M < + 0 0 22 -3,-2.8 -9,-0.1 1,-0.1 -3,-0.0 -0.771 26.4 155.7 -96.6 132.2 -42.3 8.2 -5.5 50 67 A E + 0 0 157 -2,-0.4 -1,-0.1 1,-0.0 5,-0.0 0.582 51.7 89.2-122.5 -27.7 -42.7 8.0 -9.3 51 68 A D > - 0 0 71 1,-0.2 4,-0.8 2,-0.1 -1,-0.0 -0.622 58.9-160.5 -76.1 122.5 -42.3 11.6 -10.3 52 69 A P H > S+ 0 0 37 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.820 92.9 55.2 -75.3 -29.5 -38.6 12.4 -10.9 53 70 A L H > S+ 0 0 107 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.789 105.5 54.5 -71.4 -26.8 -39.2 16.2 -10.6 54 71 A E H > S+ 0 0 74 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.743 107.7 50.0 -72.9 -27.1 -40.7 15.4 -7.2 55 72 A M H < S+ 0 0 3 -4,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.842 104.7 56.8 -79.7 -38.7 -37.5 13.6 -6.3 56 73 A E H < S+ 0 0 105 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.858 114.7 39.5 -54.1 -39.5 -35.3 16.5 -7.3 57 74 A R H < S+ 0 0 183 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.742 88.5 108.2 -86.5 -26.3 -37.2 18.7 -4.9 58 75 A S X - 0 0 13 -4,-1.0 4,-1.2 1,-0.1 3,-0.2 -0.317 59.1-147.9 -68.5 133.1 -37.7 16.4 -1.9 59 76 A P H > S+ 0 0 98 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.791 94.1 57.2 -72.4 -30.2 -35.5 17.2 1.1 60 77 A Q H > S+ 0 0 91 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.856 104.5 52.1 -69.4 -36.8 -35.0 13.6 2.3 61 78 A L H > S+ 0 0 1 2,-0.2 4,-3.1 -3,-0.2 -1,-0.2 0.875 109.2 50.1 -64.7 -39.7 -33.5 12.6 -1.0 62 79 A R H X S+ 0 0 80 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.869 109.6 51.6 -65.4 -38.4 -31.0 15.5 -0.7 63 80 A K H X S+ 0 0 140 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.813 112.6 46.5 -63.9 -33.7 -30.3 14.3 2.8 64 81 A Q H X S+ 0 0 42 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.913 108.6 53.8 -77.2 -43.2 -29.7 10.8 1.3 65 82 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 3,-0.4 0.959 109.2 49.1 -49.7 -58.4 -27.5 12.1 -1.6 66 83 A S H X S+ 0 0 50 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.890 108.1 55.2 -47.4 -47.2 -25.2 13.9 0.9 67 84 A R H X S+ 0 0 146 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.885 113.0 40.1 -58.4 -43.7 -24.9 10.7 3.0 68 85 A V H X S+ 0 0 46 -4,-2.0 4,-2.9 -3,-0.4 5,-0.2 0.951 115.9 50.3 -68.8 -53.4 -23.7 8.6 0.0 69 86 A M H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.908 110.6 50.7 -49.5 -49.8 -21.5 11.4 -1.4 70 87 A G H X S+ 0 0 23 -4,-3.1 4,-1.5 -5,-0.2 -1,-0.2 0.825 110.7 47.4 -62.0 -37.1 -19.9 11.9 2.1 71 88 A A H X S+ 0 0 40 -4,-1.3 4,-1.5 -5,-0.2 -1,-0.2 0.934 112.8 49.1 -69.1 -45.0 -19.2 8.2 2.5 72 89 A L H X S+ 0 0 31 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.870 106.4 59.9 -58.1 -37.9 -17.7 8.1 -1.0 73 90 A N H X S+ 0 0 35 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.905 100.8 51.8 -55.3 -47.0 -15.7 11.1 0.0 74 91 A T H X S+ 0 0 51 -4,-1.5 4,-0.7 -3,-0.2 -1,-0.2 0.890 111.9 48.4 -61.8 -37.0 -14.0 9.2 2.8 75 92 A V H >< S+ 0 0 3 -4,-1.5 3,-0.9 2,-0.2 4,-0.3 0.962 113.2 44.8 -65.2 -53.1 -13.0 6.4 0.4 76 93 A V H >< S+ 0 0 2 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.872 113.0 51.2 -62.7 -39.0 -11.6 8.8 -2.3 77 94 A E H 3< S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.656 113.4 46.2 -72.3 -15.4 -9.7 10.9 0.2 78 95 A N T X< + 0 0 31 -3,-0.9 3,-3.2 -4,-0.7 7,-0.5 0.234 69.0 115.9-112.6 13.1 -8.1 7.7 1.7 79 96 A L T < S+ 0 0 19 -3,-0.9 -77,-0.3 1,-0.3 -1,-0.1 0.650 76.1 61.6 -55.5 -16.2 -7.0 5.9 -1.4 80 97 A H T 3 S+ 0 0 114 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.607 100.8 57.3 -80.7 -17.3 -3.4 6.4 -0.1 81 98 A D X> - 0 0 64 -3,-3.2 4,-2.0 1,-0.1 3,-1.2 -0.805 63.7-176.8-121.5 86.8 -4.3 4.3 3.0 82 99 A P H 3> S+ 0 0 64 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.642 85.6 58.7 -64.1 -16.7 -5.6 0.8 1.9 83 100 A D H 3> S+ 0 0 131 2,-0.2 4,-2.0 3,-0.1 5,-0.1 0.828 108.9 46.4 -72.7 -35.2 -6.3 -0.1 5.5 84 101 A K H <> S+ 0 0 75 -3,-1.2 4,-2.0 -6,-0.2 5,-0.2 0.924 112.0 47.5 -72.2 -46.8 -8.6 2.9 5.6 85 102 A V H X S+ 0 0 8 -4,-2.0 4,-1.9 -7,-0.5 5,-0.2 0.884 113.9 50.1 -62.3 -36.2 -10.4 2.2 2.3 86 103 A S H X S+ 0 0 51 -4,-1.2 4,-2.1 -5,-0.2 -2,-0.2 0.963 111.7 46.3 -63.4 -53.3 -10.8 -1.4 3.5 87 104 A S H X S+ 0 0 64 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.786 112.3 50.1 -62.1 -34.3 -12.3 -0.5 6.9 88 105 A V H X S+ 0 0 20 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.936 114.3 42.6 -72.5 -47.5 -14.7 2.1 5.5 89 106 A L H X S+ 0 0 6 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.765 108.0 61.1 -72.1 -27.4 -16.2 -0.2 2.8 90 107 A A H X S+ 0 0 31 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.963 109.1 43.9 -55.4 -52.1 -16.3 -3.1 5.3 91 108 A L H X S+ 0 0 117 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.872 113.6 48.5 -61.4 -44.4 -18.6 -0.9 7.4 92 109 A V H X S+ 0 0 38 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.938 115.3 46.1 -62.7 -47.4 -20.8 0.2 4.4 93 110 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.965 113.1 46.5 -58.2 -59.4 -21.1 -3.4 3.2 94 111 A K H X S+ 0 0 83 -4,-2.7 4,-3.6 1,-0.2 5,-0.3 0.880 114.1 48.3 -53.0 -46.8 -21.9 -5.0 6.5 95 112 A A H X>S+ 0 0 32 -4,-2.0 5,-1.9 1,-0.2 4,-1.7 0.858 111.0 50.4 -65.0 -37.9 -24.5 -2.3 7.4 96 113 A H H <5S+ 0 0 55 -4,-2.0 6,-2.8 3,-0.2 -1,-0.2 0.800 117.5 41.2 -70.9 -30.6 -26.2 -2.6 3.9 97 114 A A H <5S+ 0 0 4 -4,-2.1 4,-0.3 4,-0.2 -2,-0.2 0.950 125.3 32.3 -73.9 -55.9 -26.4 -6.4 4.3 98 115 A L H <5S+ 0 0 114 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.913 134.1 19.6 -78.3 -47.2 -27.4 -6.5 8.0 99 116 A K T <5S+ 0 0 165 -4,-1.7 -3,-0.2 -5,-0.3 -4,-0.1 0.950 133.8 33.9 -82.9 -65.8 -29.6 -3.4 8.5 100 117 A H S - 0 0 102 -2,-0.3 3,-2.3 1,-0.1 4,-0.4 -0.588 27.3-132.4 -70.0 118.1 -29.1 -7.2 -2.6 104 121 A P T > S+ 0 0 22 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.619 98.1 72.7 -51.2 -19.2 -25.4 -6.7 -3.3 105 122 A V T >> S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 3,-1.4 0.833 82.5 68.6 -68.3 -31.2 -25.9 -6.5 -7.0 106 123 A Y H <> S+ 0 0 18 -3,-2.3 4,-3.5 1,-0.3 -1,-0.2 0.806 89.4 65.0 -58.2 -31.8 -27.5 -3.0 -6.8 107 124 A F H <> S+ 0 0 26 -3,-0.8 4,-1.6 -4,-0.4 -1,-0.3 0.853 103.0 47.7 -55.9 -37.8 -24.1 -1.7 -5.8 108 125 A K H <> S+ 0 0 21 -3,-1.4 4,-2.0 -4,-0.5 -2,-0.2 0.915 112.5 48.0 -68.3 -45.7 -23.0 -2.7 -9.3 109 126 A I H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.953 111.7 49.3 -59.3 -52.1 -26.0 -1.0 -10.9 110 127 A L H X S+ 0 0 34 -4,-3.5 4,-2.7 1,-0.2 -1,-0.2 0.873 107.7 56.4 -53.5 -42.7 -25.4 2.2 -8.8 111 128 A S H X S+ 0 0 13 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.922 106.0 49.0 -55.2 -51.3 -21.8 2.1 -9.9 112 129 A G H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.882 110.1 52.0 -55.9 -42.4 -22.7 2.2 -13.6 113 130 A V H X S+ 0 0 5 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.951 106.4 53.1 -61.1 -48.2 -25.1 5.0 -12.9 114 131 A I H X S+ 0 0 19 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.861 109.1 51.1 -53.8 -37.7 -22.3 7.0 -11.2 115 132 A L H X S+ 0 0 25 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.920 108.6 49.9 -65.2 -44.9 -20.2 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3,-0.0 0.631 47.6 83.0-125.6 -37.8 -12.8 -1.1 -25.1 206 68 B D > - 0 0 80 1,-0.1 4,-1.2 2,-0.0 3,-0.4 -0.656 65.2-150.7 -76.8 118.3 -13.0 1.9 -27.5 207 69 B P H > S+ 0 0 45 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.785 97.0 55.6 -59.0 -33.0 -16.8 2.8 -28.0 208 70 B L H > S+ 0 0 106 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.846 104.0 54.5 -64.6 -38.5 -16.0 4.2 -31.6 209 71 B E H > S+ 0 0 92 -3,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.824 108.7 50.4 -63.4 -34.0 -14.5 0.8 -32.5 210 72 B M H >< S+ 0 0 5 -4,-1.2 3,-1.8 2,-0.2 6,-0.2 0.978 103.8 54.6 -69.1 -59.4 -17.8 -0.9 -31.4 211 73 B E H 3< S+ 0 0 97 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.839 113.2 46.1 -37.8 -42.7 -20.1 1.3 -33.4 212 74 B R H 3< S+ 0 0 175 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.626 84.8 105.1 -85.7 -16.9 -18.1 0.4 -36.5 213 75 B S S+ 0 0 101 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.792 96.5 54.5 -60.3 -30.5 -20.1 -5.3 -38.4 215 77 B Q H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.837 106.8 48.5 -76.1 -34.9 -20.6 -8.1 -35.8 216 78 B L H > S+ 0 0 1 -3,-0.3 4,-1.6 -6,-0.2 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4,-1.6 2,-0.2 3,-0.2 0.905 114.7 53.7 -71.4 -43.0 -36.7 -10.0 -31.3 227 89 B L H X S+ 0 0 34 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.852 104.6 56.4 -59.0 -37.5 -38.1 -6.9 -29.5 228 90 B N H X S+ 0 0 20 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.886 104.4 52.4 -62.1 -41.5 -40.0 -5.9 -32.6 229 91 B T H < S+ 0 0 54 -4,-1.2 4,-0.4 -3,-0.2 -1,-0.2 0.854 111.3 47.2 -63.4 -38.6 -41.8 -9.2 -32.6 230 92 B V H >< S+ 0 0 4 -4,-1.6 3,-1.0 2,-0.2 -2,-0.2 0.967 117.0 42.6 -63.3 -54.5 -42.8 -8.7 -29.0 231 93 B V H >< S+ 0 0 2 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.894 111.1 54.0 -62.0 -44.0 -44.0 -5.2 -29.6 232 94 B E T 3< S+ 0 0 128 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.614 113.1 46.1 -65.8 -11.5 -45.8 -6.0 -32.9 233 95 B N T X + 0 0 36 -3,-1.0 3,-1.8 -4,-0.4 7,-0.4 0.079 68.1 122.6-120.2 22.6 -47.7 -8.7 -31.1 234 96 B L T < S+ 0 0 24 -3,-1.4 -77,-0.2 1,-0.3 -1,-0.1 0.493 72.5 61.2 -69.5 -2.5 -48.9 -6.9 -27.9 235 97 B H T 3 S+ 0 0 115 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.694 98.6 61.4 -87.7 -23.2 -52.5 -7.7 -28.8 236 98 B D <> + 0 0 67 -3,-1.8 4,-2.0 1,-0.2 3,-0.5 -0.840 63.6 180.0-110.1 93.5 -51.8 -11.4 -28.6 237 99 B P H > S+ 0 0 57 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.774 82.1 54.9 -73.0 -26.8 -50.6 -12.3 -25.1 238 100 B D H > S+ 0 0 133 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.797 109.1 52.2 -68.4 -30.0 -50.1 -16.0 -25.7 239 101 B K H > S+ 0 0 83 -3,-0.5 4,-2.0 -6,-0.2 3,-0.2 0.954 112.8 40.0 -70.9 -52.5 -47.9 -14.9 -28.6 240 102 B V H X S+ 0 0 7 -4,-2.0 4,-2.2 -7,-0.4 5,-0.2 0.818 112.3 58.0 -68.0 -29.9 -45.6 -12.6 -26.6 241 103 B S H X S+ 0 0 50 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.856 109.2 45.8 -64.3 -37.3 -45.6 -15.0 -23.7 242 104 B S H X S+ 0 0 63 -4,-1.2 4,-2.2 -3,-0.2 -2,-0.2 0.914 112.1 49.3 -71.1 -47.8 -44.2 -17.7 -26.0 243 105 B V H X S+ 0 0 20 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.911 112.9 46.8 -59.7 -47.4 -41.5 -15.4 -27.6 244 106 B L H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.838 111.0 51.5 -68.2 -35.2 -40.2 -14.2 -24.2 245 107 B A H X S+ 0 0 23 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.877 110.5 49.2 -66.4 -41.5 -40.1 -17.7 -22.8 246 108 B L H X S+ 0 0 121 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.908 113.8 46.4 -59.6 -44.0 -38.1 -18.8 -25.8 247 109 B V H X S+ 0 0 37 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.867 113.8 49.4 -66.8 -38.4 -35.8 -15.8 -25.3 248 110 B G H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.953 113.0 44.5 -63.4 -52.3 -35.6 -16.6 -21.5 249 111 B K H X S+ 0 0 70 -4,-2.9 4,-2.5 2,-0.2 5,-0.5 0.815 112.4 52.2 -67.4 -34.4 -34.8 -20.3 -22.0 250 112 B A H X>S+ 0 0 35 -4,-1.9 4,-2.4 -5,-0.2 5,-1.8 0.951 114.0 42.4 -63.8 -50.6 -32.2 -19.7 -24.7 251 113 B H H <5S+ 0 0 57 -4,-1.8 6,-2.3 3,-0.2 -2,-0.2 0.731 118.2 47.6 -70.1 -24.3 -30.3 -17.1 -22.6 252 114 B A H <5S+ 0 0 2 -4,-1.7 -2,-0.2 4,-0.2 -1,-0.2 0.918 127.3 22.2 -78.0 -48.1 -30.6 -19.3 -19.5 253 115 B L H <5S+ 0 0 106 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.861 134.1 28.5 -93.2 -42.2 -29.5 -22.6 -21.1 254 116 B K T <5S+ 0 0 176 -4,-2.4 -3,-0.2 -5,-0.5 -4,-0.1 0.909 132.2 29.7 -89.6 -47.0 -27.5 -21.7 -24.2 255 117 B H S - 0 0 100 -2,-0.4 3,-1.4 1,-0.1 4,-0.2 -0.439 27.8-124.9 -61.7 135.8 -27.4 -14.4 -15.3 259 121 B P T > S+ 0 0 25 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.663 101.3 70.3 -66.2 -22.8 -31.0 -13.1 -15.3 260 122 B V T >> S+ 0 0 23 1,-0.3 3,-1.8 2,-0.2 4,-1.5 0.849 81.9 75.3 -62.6 -32.3 -30.4 -9.8 -13.6 261 123 B Y H <> S+ 0 0 23 -3,-1.4 4,-2.0 1,-0.3 -1,-0.3 0.727 86.3 64.1 -54.8 -22.1 -28.6 -8.6 -16.7 262 124 B F H <> S+ 0 0 30 -3,-1.4 4,-1.8 -4,-0.2 -1,-0.3 0.845 101.7 48.2 -68.0 -37.2 -32.1 -8.2 -18.3 263 125 B K H <> S+ 0 0 24 -3,-1.8 4,-2.5 -4,-0.4 -2,-0.2 0.895 111.5 50.3 -66.3 -44.2 -33.0 -5.5 -15.8 264 126 B I H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.892 110.5 49.7 -62.0 -40.9 -29.7 -3.7 -16.4 265 127 B L H X S+ 0 0 33 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.916 110.6 48.9 -66.4 -45.0 -30.3 -3.8 -20.2 266 128 B S H X S+ 0 0 18 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.943 108.5 53.8 -58.2 -51.5 -33.8 -2.4 -19.9 267 129 B G H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.917 111.2 46.9 -45.9 -49.8 -32.6 0.4 -17.6 268 130 B V H X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.909 108.2 55.3 -59.6 -44.2 -30.1 1.2 -20.3 269 131 B I H X S+ 0 0 17 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.849 107.7 50.4 -58.9 -34.8 -32.8 1.1 -23.0 270 132 B L H X S+ 0 0 25 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.910 111.3 46.6 -70.9 -43.1 -34.8 3.6 -21.1 271 133 B E H X S+ 0 0 20 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.842 113.6 48.8 -69.4 -33.8 -31.9 6.0 -20.7 272 134 B V H X S+ 0 0 5 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.911 112.7 48.0 -70.0 -43.3 -31.0 5.7 -24.5 273 135 B V H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.884 109.2 53.9 -61.8 -41.7 -34.6 6.3 -25.5 274 136 B A H < S+ 0 0 35 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.902 113.0 43.7 -60.6 -40.6 -34.9 9.3 -23.2 275 137 B E H < S+ 0 0 68 -4,-1.5 3,-0.3 2,-0.2 -2,-0.2 0.908 120.8 36.3 -72.6 -44.7 -31.8 10.9 -24.8 276 138 B E H < S+ 0 0 125 -4,-2.3 -2,-0.2 1,-0.2 3,-0.2 0.816 129.4 28.3 -80.7 -32.6 -32.6 10.2 -28.5 277 139 B F >< + 0 0 34 -4,-2.3 3,-1.9 -5,-0.2 -1,-0.2 -0.056 68.5 138.1-127.7 33.1 -36.4 10.7 -28.5 278 140 B A G > S+ 0 0 68 -4,-0.4 3,-1.6 -3,-0.3 -1,-0.1 0.841 72.3 59.7 -44.0 -43.7 -37.1 13.2 -25.7 279 141 B S G 3 S+ 0 0 119 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.706 111.6 37.5 -65.9 -24.5 -39.6 15.0 -27.9 280 142 B D G < S+ 0 0 50 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 -0.021 98.1 87.1-114.4 27.1 -41.8 11.9 -28.4 281 143 B F < + 0 0 11 -3,-1.6 -1,-0.1 -7,-0.1 -2,-0.1 -0.455 54.7 164.5-126.7 59.3 -41.4 10.6 -24.9 282 144 B P >> - 0 0 49 0, 0.0 3,-2.4 0, 0.0 4,-2.0 -0.314 54.9 -94.4 -76.2 163.0 -44.1 12.3 -22.7 283 145 B P H 3> S+ 0 0 71 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.726 124.1 59.3 -53.1 -29.9 -45.1 11.0 -19.2 284 146 B E H 3> S+ 0 0 124 2,-0.2 4,-0.9 1,-0.2 -120,-0.1 0.787 112.7 40.3 -67.0 -27.6 -48.0 8.9 -20.6 285 147 B T H <> S+ 0 0 14 -3,-2.4 4,-3.3 2,-0.2 5,-0.2 0.808 111.0 55.5 -88.0 -38.7 -45.5 7.0 -22.8 286 148 B Q H X S+ 0 0 76 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.952 111.4 46.7 -52.9 -51.0 -42.8 6.8 -20.0 287 149 B R H X S+ 0 0 138 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.864 114.0 47.6 -57.5 -44.1 -45.5 5.2 -17.9 288 150 B A H >X S+ 0 0 0 -4,-0.9 4,-1.6 1,-0.2 3,-0.8 0.949 110.4 49.8 -65.6 -51.8 -46.5 2.8 -20.7 289 151 B W H 3X S+ 0 0 22 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.836 104.6 60.5 -56.4 -36.6 -43.0 1.8 -21.6 290 152 B A H 3X S+ 0 0 57 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.831 103.3 50.8 -63.0 -34.4 -42.3 1.0 -17.9 291 153 B K H S+ 0 0 6 -4,-2.2 5,-1.0 1,-0.2 4,-0.6 0.887 115.3 46.0 -62.3 -40.5 -35.3 -18.9 -15.8 305 167 B K H ><5S+ 0 0 172 -4,-2.1 3,-1.1 2,-0.2 -2,-0.2 0.928 105.5 57.9 -68.4 -46.8 -37.3 -20.4 -12.9 306 168 B E H 3<5S+ 0 0 136 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.747 113.1 42.9 -52.6 -26.3 -39.2 -22.9 -15.1 307 169 B V H 3<5S- 0 0 54 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.549 120.5-112.7-100.0 -14.7 -35.7 -24.3 -16.0 308 170 B G T <<5 0 0 65 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.978 360.0 360.0 83.4 65.2 -34.4 -24.1 -12.4 309 171 B W < 0 0 139 -5,-1.0 -4,-0.1 -50,-0.0 -5,-0.0 0.783 360.0 360.0 -99.6 360.0 -31.7 -21.4 -12.2