==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 19-DEC-12 3ZH0 . COMPND 2 MOLECULE: PROTOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA ACETIVORANS C2A; . AUTHOR C.CIACCIO,A.PESCE,G.R.TUNDO,L.TILLEMAN,S.DEWILDE,L.MOENS,P.A . 704 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 566 80.4 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 . 12 1.7 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 . 4 0.6 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 . 20 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 390 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 4 0 0 0 4 0 4 3 7 2 0 1 1 0 2 0 4 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 . 6 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 20 A M 0 0 79 0, 0.0 2,-0.2 0, 0.0 94,-0.1 0.000 360.0 360.0 360.0 143.8 12.7 17.9 13.9 2 21 A N > - 0 0 76 89,-0.0 4,-2.0 1,-0.0 5,-0.2 -0.599 360.0 -97.5-107.2-178.1 10.2 16.5 16.4 3 22 A L H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.772 120.8 59.4 -74.6 -27.9 9.0 12.9 16.9 4 23 A E H > S+ 0 0 125 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.931 109.9 43.7 -59.8 -45.7 5.8 13.4 14.9 5 24 A D H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.855 109.9 55.5 -70.9 -35.6 8.0 14.3 11.9 6 25 A L H X S+ 0 0 4 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.902 104.6 55.7 -61.0 -37.0 10.4 11.4 12.5 7 26 A K H X S+ 0 0 92 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.945 107.1 47.3 -63.3 -43.8 7.4 9.2 12.4 8 27 A L H X S+ 0 0 41 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.889 112.9 49.8 -64.2 -37.1 6.5 10.5 8.9 9 28 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.902 106.9 54.7 -68.1 -38.9 10.1 10.0 7.8 10 29 A K H <>S+ 0 0 25 -4,-3.0 5,-2.7 1,-0.2 -1,-0.2 0.878 105.7 53.9 -60.4 -38.3 10.1 6.4 9.2 11 30 A E H ><5S+ 0 0 41 -4,-1.9 3,-1.0 3,-0.2 -1,-0.2 0.863 103.2 56.1 -60.8 -39.1 7.1 5.8 7.1 12 31 A A H 3<5S+ 0 0 0 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.823 112.2 41.4 -67.8 -30.5 8.9 7.0 4.0 13 32 A V T 3<5S- 0 0 0 -4,-1.5 -1,-0.2 292,-0.1 -2,-0.2 0.289 114.0-116.9 -93.6 8.9 11.7 4.4 4.6 14 33 A M T < 5 + 0 0 47 -3,-1.0 2,-0.5 1,-0.2 -3,-0.2 0.755 57.3 160.9 64.4 27.7 9.2 1.6 5.5 15 34 A F < + 0 0 8 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.2 -0.704 9.9 161.4 -83.5 121.9 10.7 1.4 9.0 16 35 A T >> - 0 0 75 -2,-0.5 4,-1.4 -3,-0.1 3,-0.9 -0.700 58.2 -80.4-129.5-177.8 8.2 -0.2 11.4 17 36 A A H 3> S+ 0 0 64 1,-0.2 4,-1.3 2,-0.2 -2,-0.0 0.832 127.0 62.7 -56.9 -28.3 8.1 -2.0 14.9 18 37 A E H 3> S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.905 101.2 50.8 -64.5 -34.7 9.4 -5.1 13.1 19 38 A D H <> S+ 0 0 12 -3,-0.9 4,-2.3 1,-0.2 5,-0.2 0.848 101.2 63.2 -73.0 -27.2 12.5 -3.2 12.1 20 39 A E H X S+ 0 0 49 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.864 104.2 46.8 -60.7 -37.5 13.0 -2.1 15.8 21 40 A E H X S+ 0 0 68 -4,-1.3 4,-1.6 -3,-0.2 3,-0.3 0.968 116.6 43.1 -67.6 -49.2 13.4 -5.8 16.8 22 41 A Y H X S+ 0 0 28 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.712 106.5 59.0 -75.9 -22.1 15.9 -6.6 14.0 23 42 A I H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.880 106.9 50.5 -70.8 -33.1 18.0 -3.4 14.3 24 43 A Q H X S+ 0 0 6 -4,-1.0 4,-2.0 -3,-0.3 -2,-0.2 0.930 111.9 46.2 -65.5 -44.2 18.6 -4.5 17.9 25 44 A K H X S+ 0 0 30 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.910 111.2 52.5 -64.5 -39.9 19.7 -8.0 16.6 26 45 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.920 108.4 51.2 -62.5 -43.8 21.8 -6.4 13.9 27 46 A G H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.869 106.9 53.4 -58.3 -41.6 23.5 -4.2 16.6 28 47 A E H X S+ 0 0 77 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.951 113.1 43.3 -57.6 -51.7 24.3 -7.3 18.7 29 48 A V H < S+ 0 0 3 -4,-2.1 -2,-0.2 1,-0.2 4,-0.2 0.875 116.8 47.8 -60.4 -43.2 26.0 -9.0 15.8 30 49 A L H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 7,-0.2 0.893 105.3 55.2 -72.2 -41.9 27.9 -5.8 14.7 31 50 A E H >< S+ 0 0 53 -4,-2.7 3,-1.2 1,-0.3 4,-0.2 0.864 102.5 56.1 -64.4 -33.4 29.3 -4.7 18.1 32 51 A D T 3< S+ 0 0 86 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.604 117.0 37.5 -77.5 -0.5 31.0 -8.0 18.7 33 52 A Q T X> S+ 0 0 12 -3,-1.6 4,-1.8 -4,-0.2 3,-0.7 0.141 81.0 123.1-125.9 17.3 32.8 -7.6 15.4 34 53 A V H <> + 0 0 15 -3,-1.2 4,-2.6 1,-0.2 5,-0.2 0.837 68.0 54.2 -53.0 -45.5 33.3 -3.8 15.5 35 54 A E H 3> S+ 0 0 113 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 111.0 47.6 -62.7 -33.6 37.1 -3.7 15.2 36 55 A E H <> S+ 0 0 105 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.871 111.3 51.3 -70.6 -40.0 36.9 -5.7 11.9 37 56 A I H X S+ 0 0 0 -4,-1.8 4,-3.3 -7,-0.2 -2,-0.2 0.920 109.1 50.2 -59.3 -49.4 34.1 -3.5 10.6 38 57 A L H X S+ 0 0 3 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.923 110.5 48.5 -61.2 -47.0 36.1 -0.3 11.3 39 58 A D H X S+ 0 0 100 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.909 114.8 47.0 -58.8 -41.9 39.2 -1.6 9.5 40 59 A T H X S+ 0 0 64 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.912 114.3 47.2 -63.3 -44.2 37.0 -2.6 6.6 41 60 A W H X S+ 0 0 13 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.929 114.9 44.1 -66.0 -45.4 35.2 0.8 6.6 42 61 A Y H X S+ 0 0 26 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.640 107.3 60.1 -80.7 -10.8 38.4 2.8 6.8 43 62 A G H X S+ 0 0 39 -4,-1.1 4,-1.1 -5,-0.2 -1,-0.2 0.853 107.0 47.4 -76.9 -38.0 40.1 0.6 4.1 44 63 A F H >X S+ 0 0 21 -4,-1.6 3,-1.0 2,-0.2 4,-0.7 0.997 117.9 40.0 -62.4 -61.3 37.4 1.6 1.7 45 64 A V H >< S+ 0 0 5 -4,-2.1 3,-1.3 1,-0.3 7,-0.7 0.918 118.2 49.3 -48.0 -51.6 37.7 5.4 2.6 46 65 A G H 3< S+ 0 0 35 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.682 102.9 61.5 -66.9 -19.9 41.5 5.2 2.7 47 66 A S H << S+ 0 0 75 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.633 96.5 64.8 -85.5 -12.7 41.7 3.4 -0.6 48 67 A H XX - 0 0 36 -3,-1.3 4,-3.0 -4,-0.7 3,-2.0 -0.930 67.6-157.1-114.9 110.2 40.2 6.3 -2.6 49 68 A P H 3> S+ 0 0 104 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.826 94.3 56.7 -53.4 -37.3 42.2 9.6 -2.6 50 69 A H H 34 S+ 0 0 31 2,-0.2 4,-0.2 1,-0.2 -5,-0.0 0.647 115.3 37.9 -74.8 -11.4 39.1 11.7 -3.4 51 70 A L H X4 S+ 0 0 3 -3,-2.0 3,-1.5 -6,-0.3 4,-0.2 0.804 112.2 54.3-100.0 -47.7 37.4 10.3 -0.2 52 71 A L H >< S+ 0 0 38 -4,-3.0 3,-2.4 -7,-0.7 4,-0.2 0.831 92.5 80.8 -47.7 -34.4 40.5 10.2 2.0 53 72 A Y G >< S+ 0 0 117 -4,-1.8 3,-2.0 -5,-0.3 62,-0.4 0.816 80.0 64.0 -37.5 -45.2 40.7 13.9 1.0 54 73 A Y G < S+ 0 0 35 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.594 104.4 45.8 -65.7 -13.1 38.0 14.8 3.6 55 74 A F G < S+ 0 0 29 -3,-2.4 8,-2.1 -4,-0.2 -1,-0.3 0.299 94.1 110.7-107.0 5.5 40.3 13.8 6.4 56 75 A T B < -A 62 0A 10 -3,-2.0 59,-0.6 -4,-0.2 -3,-0.0 -0.485 65.7-121.1 -93.3 153.8 43.5 15.5 5.1 57 76 A S > - 0 0 27 4,-2.9 3,-2.1 57,-0.2 57,-0.2 -0.343 45.6 -94.3 -71.4 162.4 45.5 18.6 6.4 58 77 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 0.866 125.1 64.7 -49.3 -34.5 45.8 21.5 4.0 59 78 A D T 3 S- 0 0 120 1,-0.1 -2,-0.0 2,-0.1 -3,-0.0 0.381 119.9-107.8 -74.2 8.4 49.2 20.1 2.8 60 79 A G S < S+ 0 0 51 -3,-2.1 -1,-0.1 1,-0.2 -4,-0.1 0.418 79.7 121.3 85.2 -1.8 47.3 17.1 1.4 61 80 A T S S- 0 0 73 1,-0.1 -4,-2.9 -6,-0.0 -1,-0.2 -0.750 71.1 -97.1-100.2 147.0 48.4 14.4 3.9 62 81 A P B -A 56 0A 47 0, 0.0 2,-0.9 0, 0.0 -6,-0.2 -0.296 29.6-129.8 -59.1 134.2 46.0 12.4 6.1 63 82 A N > - 0 0 33 -8,-2.1 4,-2.5 1,-0.2 5,-0.1 -0.821 22.1-167.1 -85.6 108.6 45.5 13.8 9.6 64 83 A E H > S+ 0 0 159 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.851 84.1 51.2 -72.5 -34.2 46.0 10.7 11.6 65 84 A K H > S+ 0 0 150 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.875 109.8 50.6 -71.3 -38.8 44.7 12.1 14.9 66 85 A Y H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.950 111.5 48.2 -52.9 -57.8 41.5 13.3 13.1 67 86 A L H X S+ 0 0 40 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.921 112.4 49.2 -53.8 -44.4 41.0 9.8 11.6 68 87 A A H X S+ 0 0 28 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.875 112.4 47.6 -64.7 -35.7 41.6 8.2 15.0 69 88 A A H X S+ 0 0 20 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.918 113.0 46.7 -74.0 -43.3 39.1 10.5 16.7 70 89 A V H X S+ 0 0 28 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.879 106.1 60.2 -62.6 -41.0 36.4 10.1 14.1 71 90 A R H X S+ 0 0 64 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.839 103.1 51.7 -60.1 -35.3 36.8 6.3 14.2 72 91 A K H X S+ 0 0 127 -4,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.905 112.2 45.0 -69.0 -42.0 35.9 6.2 17.9 73 92 A R H X S+ 0 0 51 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.855 110.2 54.7 -68.7 -33.6 32.7 8.2 17.3 74 93 A F H X S+ 0 0 30 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.897 104.9 55.2 -64.8 -40.4 31.9 6.0 14.3 75 94 A S H X S+ 0 0 19 -4,-1.8 4,-1.1 2,-0.2 3,-0.3 0.899 107.6 48.0 -55.0 -46.0 32.2 3.0 16.6 76 95 A R H X S+ 0 0 84 -4,-1.5 4,-2.9 1,-0.2 -2,-0.2 0.883 105.9 61.0 -63.5 -38.6 29.6 4.6 19.0 77 96 A W H X S+ 0 0 22 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.844 95.8 58.1 -56.6 -38.2 27.4 5.2 16.0 78 97 A I H < S+ 0 0 0 -4,-1.4 4,-0.5 -3,-0.3 -1,-0.2 0.942 114.3 39.5 -58.8 -46.3 27.1 1.5 15.2 79 98 A L H >< S+ 0 0 30 -4,-1.1 3,-1.1 1,-0.2 -2,-0.2 0.888 111.7 55.9 -65.6 -44.6 25.7 1.0 18.7 80 99 A D H >< S+ 0 0 25 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.810 102.5 57.3 -62.8 -31.0 23.6 4.1 18.8 81 100 A T T 3< S+ 0 0 0 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.707 98.7 61.4 -71.6 -23.4 21.8 3.1 15.6 82 101 A S T < S+ 0 0 16 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.133 76.8 139.3 -91.2 16.9 20.7 -0.2 17.2 83 102 A N < - 0 0 11 -3,-1.0 3,-0.2 1,-0.1 532,-0.1 -0.246 62.1-121.9 -57.3 149.0 18.6 1.4 19.9 84 103 A R S S+ 0 0 37 530,-1.1 2,-0.3 1,-0.2 -1,-0.1 0.760 96.9 5.3 -42.9 -43.3 15.2 0.0 21.0 85 104 A S S S- 0 0 49 529,-0.1 2,-0.6 470,-0.0 -1,-0.2 -0.945 74.2-125.6-161.3 123.0 13.5 3.3 20.2 86 105 A Y - 0 0 11 -2,-0.3 2,-0.1 -3,-0.2 -5,-0.0 -0.756 40.4-174.4 -79.5 117.2 14.8 6.5 18.6 87 106 A D > - 0 0 24 -2,-0.6 4,-2.6 468,-0.0 5,-0.2 -0.389 40.9 -85.9-109.7-177.9 14.0 9.3 21.0 88 107 A Q H > S+ 0 0 66 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.891 126.9 52.7 -58.9 -43.3 14.3 13.1 21.0 89 108 A A H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.874 109.7 50.7 -58.6 -39.7 17.9 13.1 22.2 90 109 A W H > S+ 0 0 11 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.962 110.0 49.1 -61.9 -47.3 18.6 10.7 19.4 91 110 A L H X S+ 0 0 6 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.871 109.7 52.0 -58.5 -41.4 17.0 13.0 16.9 92 111 A D H X S+ 0 0 92 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.879 107.6 51.9 -64.9 -40.3 18.9 16.0 18.2 93 112 A Y H X S+ 0 0 77 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.832 102.8 59.1 -62.9 -35.3 22.2 14.2 17.8 94 113 A Q H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.905 103.8 51.9 -59.1 -43.7 21.4 13.3 14.2 95 114 A Y H X S+ 0 0 111 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.938 110.2 50.5 -54.7 -45.7 21.1 17.0 13.5 96 115 A E H X S+ 0 0 33 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.896 106.5 52.5 -63.1 -41.2 24.6 17.3 15.1 97 116 A I H X S+ 0 0 23 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.941 111.4 48.0 -62.5 -42.9 26.1 14.5 13.0 98 117 A G H >X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-0.7 0.933 109.5 52.4 -59.7 -48.9 24.9 16.3 9.8 99 118 A L H 3< S+ 0 0 12 -4,-2.7 6,-2.4 1,-0.2 7,-0.7 0.843 106.9 54.7 -53.5 -36.5 26.2 19.6 11.1 100 119 A R H 3< S+ 0 0 56 -4,-2.2 7,-0.3 5,-0.3 -1,-0.2 0.709 108.1 45.7 -74.3 -29.4 29.6 18.0 11.6 101 120 A H H << S+ 0 0 56 -4,-1.2 17,-2.1 -3,-0.7 -1,-0.2 0.744 108.7 73.3 -74.4 -32.1 30.0 16.7 8.0 102 121 A H S >X S- 0 0 7 -4,-1.8 4,-2.2 15,-0.2 3,-1.0 -0.430 102.8-105.2 -75.7 157.8 28.8 20.1 6.8 103 122 A R T 34 S+ 0 0 110 1,-0.2 -1,-0.1 2,-0.2 -4,-0.1 0.817 109.7 81.1 -55.5 -27.6 31.1 23.2 6.9 104 123 A T T 34 S- 0 0 66 1,-0.2 -1,-0.2 65,-0.1 -4,-0.2 0.859 119.3 -3.8 -45.5 -53.1 28.9 24.4 10.0 105 124 A K T X> S+ 0 0 70 -6,-2.4 3,-2.2 -3,-1.0 4,-0.6 0.471 92.7 133.2-124.6 -5.9 30.8 22.2 12.5 106 125 A K T 3< S+ 0 0 8 -4,-2.2 -5,-0.1 -7,-0.7 8,-0.1 -0.198 80.2 11.8 -49.5 137.5 33.3 20.1 10.5 107 126 A N T 34>S+ 0 0 27 -7,-0.3 5,-2.2 1,-0.1 -1,-0.2 0.312 105.4 95.1 78.3 -5.5 36.8 20.1 12.2 108 127 A Q T X45S+ 0 0 126 -3,-2.2 3,-0.5 3,-0.2 -2,-0.1 0.855 73.3 56.9 -87.3 -36.6 35.5 21.6 15.4 109 128 A T T 3<5S+ 0 0 64 -4,-0.6 -1,-0.1 1,-0.3 -3,-0.1 0.917 121.3 30.0 -65.0 -37.6 34.9 18.6 17.6 110 129 A D T 3 5S- 0 0 42 2,-0.1 -1,-0.3 -44,-0.0 -2,-0.2 0.430 105.8-127.5 -98.0 3.1 38.5 17.4 17.2 111 130 A N T < 5 + 0 0 149 -3,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.937 58.9 144.9 46.8 58.5 39.9 21.0 16.8 112 131 A V < - 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0 0 56 -5,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.655 56.1 -96.6 -90.4 156.6 20.8 16.9 33.7 675 163 D T >> - 0 0 52 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.338 32.5-111.8 -67.6 154.5 18.6 18.3 36.4 676 164 D P H 3> S+ 0 0 95 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.761 118.5 56.5 -60.0 -21.6 18.6 16.7 39.9 677 165 D E H 3> S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.868 109.2 43.6 -74.0 -38.6 15.0 15.5 39.2 678 166 D E H <> S+ 0 0 62 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.853 112.8 53.6 -72.1 -34.1 16.0 13.7 36.0 679 167 D V H X S+ 0 0 16 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.902 107.6 50.5 -68.8 -41.1 19.0 12.3 37.7 680 168 D E H X S+ 0 0 48 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.947 111.9 47.4 -60.6 -47.5 16.9 10.9 40.5 681 169 D K H X S+ 0 0 103 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.863 111.2 51.4 -64.9 -35.5 14.5 9.3 38.0 682 170 D M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.937 112.6 45.7 -61.9 -46.2 17.5 7.9 36.1 683 171 D Y H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.928 112.6 50.3 -62.3 -48.5 18.9 6.4 39.3 684 172 D Q H X S+ 0 0 16 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.911 110.4 50.1 -58.0 -43.9 15.5 5.0 40.4 685 173 D A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.897 110.3 50.2 -57.2 -42.8 15.1 3.3 37.0 686 174 D W H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.914 110.6 49.9 -65.5 -43.7 18.5 1.8 37.2 687 175 D F H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.947 112.2 46.5 -57.7 -54.3 17.7 0.4 40.7 688 176 D K H X S+ 0 0 20 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.903 114.1 48.8 -54.9 -47.4 14.4 -1.1 39.6 689 177 D A H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.818 111.8 47.8 -63.8 -34.5 16.1 -2.7 36.5 690 178 D T H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.908 113.6 47.6 -72.7 -42.9 19.0 -4.1 38.5 691 179 D T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.925 110.5 52.3 -62.5 -46.9 16.6 -5.6 41.0 692 180 D L H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.897 112.2 47.1 -53.9 -46.4 14.4 -7.0 38.3 693 181 D Q H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.942 109.1 49.8 -67.4 -49.2 17.4 -8.7 36.7 694 182 D V H X S+ 0 0 9 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.902 107.8 56.7 -58.6 -41.5 18.9 -10.2 39.9 695 183 D A H >< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 4,-0.2 0.909 110.9 44.3 -52.4 -43.5 15.3 -11.7 40.7 696 184 D L H >< S+ 0 0 10 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.910 109.9 55.3 -66.8 -43.1 15.5 -13.4 37.2 697 185 D W H 3< S+ 0 0 23 -4,-2.7 4,-0.2 1,-0.3 -1,-0.2 0.619 93.4 71.3 -65.3 -16.5 19.1 -14.5 37.7 698 186 D S T XX S+ 0 0 0 -4,-1.1 4,-1.5 -3,-0.5 3,-1.3 0.627 71.1 94.6 -74.3 -15.3 18.1 -16.3 41.0 699 187 D Y G X4 S+ 0 0 103 -3,-1.5 3,-0.6 1,-0.3 -1,-0.2 0.877 84.7 43.9 -49.1 -52.4 16.2 -19.0 39.2 700 188 D P G 34 S+ 0 0 5 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.697 112.7 54.6 -69.0 -16.5 19.1 -21.6 39.0 701 189 D Y G <4 S+ 0 0 0 -3,-1.3 -175,-3.4 -4,-0.2 -2,-0.2 0.783 93.2 87.5 -80.7 -29.4 20.0 -21.0 42.6 702 190 D V B << S-E 525 0E 6 -4,-1.5 -177,-0.2 -3,-0.6 5,-0.1 -0.471 86.8-101.7 -85.8 139.5 16.6 -21.6 44.0 703 191 D K > - 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