==== 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 OXYGEN STORAGE/TRANSPORT 22-SEP-06 2IG3 . COMPND 2 MOLECULE: GROUP III TRUNCATED HAEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR M.NARDINI,A.PESCE,M.LABARRE,P.ASCENZI,M.GUERTIN,M.BOLOGNESI . 251 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 0 0 2 0 0 0 0 0 0 1 3 0 1 1 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 240 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.4 -4.8 -9.4 -13.4 2 2 A K - 0 0 103 96,-0.0 2,-0.3 2,-0.0 96,-0.2 -0.963 360.0-109.4-117.3 138.6 -4.9 -12.1 -10.7 3 3 A F B -a 98 0A 35 94,-2.5 96,-2.0 -2,-0.4 99,-0.2 -0.453 25.6-177.3 -70.0 127.0 -8.2 -13.3 -9.1 4 4 A E S S+ 0 0 159 -2,-0.3 2,-0.3 94,-0.2 -1,-0.1 0.217 73.8 49.6-100.7 8.3 -8.7 -12.3 -5.5 5 5 A T S S- 0 0 75 2,-0.0 2,-0.5 97,-0.0 94,-0.1 -0.849 80.8-118.7-138.4 171.0 -11.9 -14.4 -5.6 6 6 A I + 0 0 26 -2,-0.3 2,-0.3 52,-0.1 92,-0.0 -0.977 49.4 133.2-119.0 119.2 -13.2 -17.9 -6.6 7 7 A N S > S- 0 0 50 -2,-0.5 4,-2.3 1,-0.0 5,-0.3 -0.892 70.6 -81.2-149.7 176.3 -15.9 -18.1 -9.3 8 8 A Q H > S+ 0 0 149 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.862 126.0 53.3 -51.7 -38.3 -16.7 -20.0 -12.5 9 9 A E H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 110.4 43.6 -66.1 -49.8 -14.4 -17.7 -14.4 10 10 A S H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.866 114.9 49.7 -64.6 -40.6 -11.3 -18.2 -12.3 11 11 A I H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.869 109.3 52.2 -65.7 -39.3 -11.9 -22.0 -12.1 12 12 A A H X S+ 0 0 45 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.885 110.5 48.0 -63.9 -40.2 -12.3 -22.2 -15.9 13 13 A K H X S+ 0 0 89 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.904 111.1 51.6 -65.3 -41.7 -9.0 -20.4 -16.3 14 14 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.935 110.1 48.5 -58.7 -47.9 -7.4 -22.8 -13.8 15 15 A M H X S+ 0 0 4 -4,-2.7 4,-2.0 2,-0.2 5,-0.3 0.879 111.4 50.7 -60.8 -41.5 -8.7 -25.8 -15.7 16 16 A E H X S+ 0 0 89 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.965 116.4 39.7 -58.3 -55.2 -7.4 -24.4 -19.0 17 17 A I H X S+ 0 0 32 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.907 118.3 45.8 -64.6 -47.9 -3.9 -23.8 -17.6 18 18 A F H X S+ 0 0 0 -4,-3.1 4,-2.7 -5,-0.2 -3,-0.2 0.940 113.8 45.6 -66.6 -48.7 -3.6 -26.9 -15.5 19 19 A Y H X S+ 0 0 8 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.760 109.5 56.1 -74.5 -19.6 -4.8 -29.5 -18.1 20 20 A E H X S+ 0 0 53 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.2 0.900 110.7 45.1 -69.8 -42.3 -2.8 -27.9 -20.8 21 21 A K H X S+ 0 0 63 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.909 114.8 49.0 -60.8 -43.8 0.3 -28.5 -18.6 22 22 A V H >< S+ 0 0 0 -4,-2.7 3,-0.5 2,-0.2 7,-0.3 0.918 110.2 49.9 -61.7 -45.6 -0.9 -32.0 -17.8 23 23 A R H 3< S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.871 114.4 45.4 -61.1 -38.4 -1.5 -32.8 -21.5 24 24 A K H 3< S+ 0 0 181 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.606 90.1 113.3 -80.2 -14.2 2.0 -31.5 -22.3 25 25 A D S+ 0 0 45 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.883 127.3 36.2 -91.4 -47.0 4.7 -38.5 -17.4 28 28 A L H >> S+ 0 0 5 1,-0.2 4,-2.0 2,-0.1 3,-0.6 0.891 101.2 74.3 -76.7 -40.2 1.0 -37.5 -17.0 29 29 A G H 3X S+ 0 0 2 -4,-1.7 4,-3.1 -7,-0.3 5,-0.2 0.819 96.2 47.2 -43.4 -54.1 0.1 -36.9 -20.6 30 30 A P H 3> S+ 0 0 58 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.879 110.4 53.1 -56.6 -44.0 -0.0 -40.6 -21.6 31 31 A I H S+ 0 0 31 -4,-2.0 4,-3.0 2,-0.2 5,-0.6 0.923 116.1 50.9 -69.1 -45.5 -4.7 -38.9 -19.4 33 33 A N H X5S+ 0 0 45 -4,-3.1 4,-1.5 -5,-0.3 -2,-0.2 0.914 109.7 49.6 -57.3 -46.8 -4.6 -39.5 -23.2 34 34 A N H <5S+ 0 0 149 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.796 118.7 41.4 -61.8 -26.8 -5.1 -43.3 -22.7 35 35 A A H <5S+ 0 0 59 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.875 131.0 15.8 -90.7 -42.9 -8.1 -42.6 -20.5 36 36 A I H <5S- 0 0 41 -4,-3.0 -3,-0.2 1,-0.3 2,-0.2 0.667 104.7-113.3-109.9 -19.5 -10.0 -39.7 -22.1 37 37 A G << - 0 0 19 -4,-1.5 -1,-0.3 -5,-0.6 -2,-0.1 -0.551 21.8 -92.4 110.3-178.4 -8.7 -39.5 -25.6 38 38 A T S S+ 0 0 97 -2,-0.2 -1,-0.1 -4,-0.1 -5,-0.1 0.541 80.1 111.5-113.0 -10.3 -6.6 -37.0 -27.6 39 39 A S S > S- 0 0 52 1,-0.1 4,-1.7 -3,-0.1 5,-0.1 -0.275 72.6-124.3 -66.4 151.8 -9.3 -34.9 -29.3 40 40 A D H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.802 111.9 53.4 -63.2 -32.3 -9.7 -31.3 -28.2 41 41 A E H > S+ 0 0 142 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 105.5 51.2 -73.3 -43.3 -13.4 -31.9 -27.4 42 42 A E H > S+ 0 0 79 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.877 113.3 47.5 -56.0 -40.4 -12.7 -34.9 -25.2 43 43 A W H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.814 110.6 51.1 -72.0 -32.5 -10.2 -32.7 -23.3 44 44 A K H X S+ 0 0 137 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.842 109.5 50.3 -68.7 -38.0 -12.8 -29.9 -23.1 45 45 A E H X S+ 0 0 129 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.797 111.1 49.7 -68.9 -32.5 -15.4 -32.3 -21.7 46 46 A H H X S+ 0 0 27 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.918 110.8 48.3 -70.4 -46.4 -12.8 -33.4 -19.1 47 47 A K H X S+ 0 0 17 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.872 110.3 52.8 -61.6 -39.0 -12.0 -29.8 -18.1 48 48 A A H X S+ 0 0 55 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.944 111.5 46.1 -57.9 -51.4 -15.8 -29.1 -17.8 49 49 A K H X S+ 0 0 109 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.931 114.8 44.8 -59.1 -51.6 -16.2 -32.1 -15.5 50 50 A I H X S+ 0 0 27 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.873 110.1 57.4 -62.6 -35.5 -13.2 -31.3 -13.3 51 51 A G H X S+ 0 0 14 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.891 107.9 47.1 -58.6 -40.6 -14.4 -27.6 -13.3 52 52 A N H X S+ 0 0 44 -4,-2.0 4,-2.0 2,-0.2 12,-0.4 0.835 108.4 55.2 -68.4 -36.7 -17.7 -28.9 -11.9 53 53 A F H X S+ 0 0 33 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.948 111.9 43.8 -56.5 -49.8 -15.8 -31.0 -9.3 54 54 A W H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 5,-0.4 0.849 110.2 53.9 -70.7 -36.8 -14.0 -27.9 -8.1 55 55 A A H X>S+ 0 0 13 -4,-2.1 4,-2.7 2,-0.2 6,-1.2 0.893 110.4 48.2 -60.6 -40.3 -17.2 -25.7 -8.2 56 56 A G H <5S+ 0 0 38 -4,-2.0 4,-0.3 4,-0.3 -2,-0.2 0.900 117.3 42.7 -65.5 -39.5 -18.9 -28.3 -5.9 57 57 A M H <5S+ 0 0 58 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.860 130.4 23.7 -70.2 -41.3 -15.8 -28.3 -3.6 58 58 A L H <5S+ 0 0 38 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.757 136.1 24.5-104.2 -33.3 -15.3 -24.6 -3.6 59 59 A L T <5S- 0 0 57 -4,-2.7 -3,-0.2 -5,-0.4 -4,-0.1 0.533 92.4-123.7-113.2 -12.1 -18.6 -22.9 -4.4 60 60 A G S - 0 0 114 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.842 30.4-174.2-119.1 88.9 -17.0 -41.0 -7.5 68 68 A P H > S+ 0 0 36 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.905 81.6 45.3 -59.4 -49.0 -13.4 -39.5 -7.7 69 69 A L H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.945 112.7 50.8 -57.5 -50.3 -11.6 -42.1 -5.6 70 70 A K H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 107.6 55.3 -54.7 -42.9 -13.2 -45.1 -7.4 71 71 A K H < S+ 0 0 139 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.882 110.5 43.4 -55.0 -46.9 -12.3 -43.5 -10.7 72 72 A H H < S+ 0 0 61 -4,-1.7 3,-0.4 -3,-0.3 -1,-0.2 0.822 112.5 53.2 -72.7 -33.2 -8.6 -43.4 -9.8 73 73 A L H < S+ 0 0 7 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.874 108.5 51.5 -61.9 -38.5 -8.7 -46.8 -8.3 74 74 A D S < S+ 0 0 49 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.572 90.5 100.4 -80.5 -7.9 -10.2 -48.1 -11.6 75 75 A L S S- 0 0 40 -4,-0.4 3,-0.1 -3,-0.4 -3,-0.0 -0.435 93.1 -91.4 -70.8 149.2 -7.4 -46.5 -13.7 76 76 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 175,-0.1 -0.447 65.0 -88.0 -57.0 136.5 -4.6 -48.7 -14.9 77 77 A P - 0 0 12 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 -0.111 51.6-178.9 -53.8 145.8 -1.9 -48.4 -12.1 78 78 A F - 0 0 23 -3,-0.1 169,-0.0 174,-0.1 -3,-0.0 -0.935 37.3 -77.2-141.2 158.9 0.6 -45.6 -12.2 79 79 A P > - 0 0 28 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.310 30.1-131.4 -64.4 139.9 3.5 -44.6 -9.9 80 80 A Q T > S+ 0 0 34 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.811 104.7 71.5 -55.4 -32.8 2.7 -42.8 -6.6 81 81 A E T >> S+ 0 0 119 1,-0.3 4,-1.0 2,-0.2 3,-1.0 0.716 79.5 75.2 -57.2 -23.4 5.4 -40.3 -7.6 82 82 A F H <> S+ 0 0 17 -3,-1.9 4,-2.6 1,-0.2 -1,-0.3 0.763 82.9 67.4 -63.5 -22.8 3.1 -38.9 -10.3 83 83 A F H <> S+ 0 0 15 -3,-2.0 4,-2.1 -4,-0.3 -1,-0.2 0.848 97.3 53.5 -66.0 -34.4 1.1 -37.3 -7.4 84 84 A E H <> S+ 0 0 140 -3,-1.0 4,-2.1 -4,-0.4 -1,-0.2 0.866 110.0 47.0 -60.4 -42.3 4.1 -35.0 -6.9 85 85 A I H X S+ 0 0 35 -4,-1.0 4,-2.8 2,-0.2 5,-0.3 0.970 111.5 50.4 -66.7 -51.7 4.1 -34.0 -10.6 86 86 A W H X S+ 0 0 51 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.886 114.0 45.3 -49.9 -49.4 0.3 -33.4 -10.6 87 87 A L H X S+ 0 0 35 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.855 110.6 52.8 -67.2 -39.7 0.6 -31.2 -7.5 88 88 A K H X S+ 0 0 134 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.967 114.1 42.8 -59.8 -52.0 3.7 -29.3 -8.8 89 89 A L H X S+ 0 0 18 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.843 113.7 52.3 -61.8 -37.9 1.8 -28.4 -12.0 90 90 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.921 110.1 47.5 -65.0 -46.1 -1.4 -27.6 -10.1 91 91 A E H X S+ 0 0 77 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.907 111.0 51.8 -61.7 -43.9 0.4 -25.2 -7.8 92 92 A E H X S+ 0 0 79 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.937 111.9 47.3 -55.6 -46.0 2.1 -23.5 -10.8 93 93 A S H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-0.4 0.911 111.2 49.7 -64.2 -45.0 -1.3 -23.1 -12.4 94 94 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 -1,-0.2 0.876 106.3 57.4 -57.6 -43.3 -2.9 -21.7 -9.2 95 95 A N H < S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.777 108.9 46.6 -59.7 -29.8 0.0 -19.2 -9.0 96 96 A I H < S+ 0 0 76 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.906 121.6 34.9 -76.6 -42.3 -0.9 -18.0 -12.4 97 97 A V H < S+ 0 0 2 -4,-2.0 -94,-2.5 -95,-0.1 2,-0.3 0.872 117.1 40.9 -83.2 -39.8 -4.7 -17.7 -11.8 98 98 A Y B < S-a 3 0A 1 -4,-3.4 -94,-0.2 -96,-0.2 -92,-0.0 -0.782 76.0-111.8-118.7 153.1 -4.9 -16.6 -8.1 99 99 A N > - 0 0 39 -96,-2.0 4,-2.4 -2,-0.3 5,-0.2 -0.164 52.2 -90.6 -65.5 173.2 -3.2 -14.3 -5.6 100 100 A E H > S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.874 124.0 53.8 -58.9 -39.1 -1.3 -15.9 -2.8 101 101 A E H > S+ 0 0 145 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.934 115.0 36.3 -62.8 -54.2 -4.3 -16.0 -0.4 102 102 A M H > S+ 0 0 36 -99,-0.2 4,-2.0 1,-0.2 3,-0.4 0.909 113.5 58.2 -66.3 -46.2 -6.8 -17.8 -2.7 103 103 A K H X S+ 0 0 11 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.881 105.8 50.6 -47.3 -45.4 -4.0 -20.0 -4.2 104 104 A N H X S+ 0 0 70 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.814 107.0 53.2 -72.5 -30.0 -3.2 -21.4 -0.8 105 105 A V H X S+ 0 0 64 -4,-1.1 4,-1.3 -3,-0.4 -1,-0.2 0.908 115.3 40.0 -64.8 -45.7 -6.9 -22.2 0.0 106 106 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.879 113.2 53.1 -76.6 -40.1 -7.3 -24.3 -3.1 107 107 A L H X S+ 0 0 7 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.914 106.9 54.0 -57.9 -45.1 -3.9 -25.9 -3.0 108 108 A Q H X S+ 0 0 86 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.902 108.2 49.9 -54.8 -44.1 -4.6 -27.1 0.6 109 109 A R H X S+ 0 0 85 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.929 112.3 46.6 -63.9 -44.4 -7.8 -28.7 -0.7 110 110 A A H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.859 110.5 53.2 -62.8 -40.6 -6.0 -30.5 -3.5 111 111 A Q H X S+ 0 0 90 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.907 107.7 51.6 -62.5 -43.3 -3.2 -31.6 -1.1 112 112 A M H X S+ 0 0 115 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.909 113.4 43.6 -59.9 -45.5 -5.9 -33.1 1.2 113 113 A I H X S+ 0 0 36 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.926 113.6 50.5 -64.9 -45.7 -7.5 -35.1 -1.6 114 114 A A H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.899 109.8 51.1 -60.6 -42.0 -4.1 -36.2 -3.0 115 115 A S H X S+ 0 0 57 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.920 111.6 47.9 -61.8 -41.6 -3.0 -37.4 0.4 116 116 A H H X S+ 0 0 78 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.919 111.7 49.3 -66.3 -45.6 -6.3 -39.4 0.7 117 117 A F H X S+ 0 0 17 -4,-3.0 4,-2.1 1,-0.2 3,-0.2 0.913 111.7 50.0 -55.1 -45.7 -5.9 -40.9 -2.8 118 118 A Q H X S+ 0 0 36 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.895 108.4 50.2 -67.2 -41.5 -2.3 -41.9 -2.0 119 119 A N H < S+ 0 0 118 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.768 118.0 42.7 -63.1 -29.0 -3.2 -43.6 1.4 120 120 A M H < S+ 0 0 18 -4,-1.3 123,-0.3 -3,-0.2 -2,-0.2 0.766 117.2 43.2 -86.1 -31.9 -5.9 -45.5 -0.5 121 121 A L H < S+ 0 0 6 -4,-2.1 2,-0.4 1,-0.1 126,-0.2 0.671 111.7 45.1 -94.5 -22.9 -4.0 -46.5 -3.7 122 122 A Y < - 0 0 28 -4,-1.7 -1,-0.1 -5,-0.2 122,-0.1 -0.987 48.6-168.0-131.1 131.1 -0.6 -47.6 -2.4 123 123 A K - 0 0 82 -2,-0.4 -1,-0.1 117,-0.1 118,-0.1 0.895 18.1-156.9 -79.7 -41.2 0.3 -49.8 0.4 124 124 A Y S S+ 0 0 204 2,-0.1 -1,-0.1 1,-0.1 -5,-0.0 0.360 72.3 91.5 78.1 -5.4 4.0 -48.9 0.3 125 125 A G S S- 0 0 57 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.890 78.8-125.8 -85.9-102.1 4.2 -52.4 2.1 126 126 A G 0 0 37 1,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.219 360.0 360.0-176.4 -85.8 4.7 -55.7 0.1 127 127 A H 0 0 78 70,-0.1 71,-1.0 69,-0.0 70,-0.6 0.303 360.0 360.0 68.2 360.0 2.5 -58.8 0.3 128 !* 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 0.0 129 1 B M 0 0 237 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.1 -31.2 -56.2 11.8 130 2 B K - 0 0 113 0, 0.0 2,-0.3 0, 0.0 96,-0.2 -0.994 360.0-101.6-138.4 146.6 -27.6 -55.2 10.8 131 3 B F B -b 226 0B 47 94,-2.5 96,-1.9 -2,-0.3 99,-0.2 -0.474 27.3-179.4 -70.9 129.4 -24.3 -55.6 12.6 132 4 B E S S+ 0 0 144 -2,-0.3 2,-0.4 94,-0.2 -1,-0.2 0.403 71.6 58.9-102.4 -3.7 -23.1 -52.4 14.2 133 5 B T S S- 0 0 87 97,-0.0 2,-0.7 2,-0.0 5,-0.1 -0.977 79.9-129.6-129.3 136.4 -19.9 -54.3 15.4 134 6 B I + 0 0 22 -2,-0.4 2,-0.2 52,-0.1 92,-0.0 -0.805 52.5 139.0 -84.4 116.3 -17.2 -56.1 13.5 135 7 B N > - 0 0 50 -2,-0.7 4,-2.2 1,-0.0 5,-0.2 -0.834 68.1 -83.4-142.3-176.9 -16.9 -59.5 15.2 136 8 B Q H > S+ 0 0 91 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.824 124.7 51.2 -62.5 -34.0 -16.4 -63.2 14.3 137 9 B E H > S+ 0 0 138 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.851 111.2 45.9 -73.3 -37.8 -20.1 -63.7 13.7 138 10 B S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.1 -2,-0.2 0.883 112.6 50.2 -74.3 -39.5 -20.5 -60.7 11.3 139 11 B I H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.958 109.7 51.7 -60.2 -50.0 -17.3 -61.6 9.3 140 12 B A H X S+ 0 0 60 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.867 110.9 47.7 -52.8 -43.7 -18.6 -65.2 8.9 141 13 B K H X S+ 0 0 76 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.896 110.3 52.3 -64.7 -42.6 -21.9 -63.9 7.6 142 14 B L H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.913 108.5 51.5 -57.4 -44.7 -20.1 -61.6 5.2 143 15 B M H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.884 110.5 48.1 -60.4 -42.2 -18.0 -64.5 3.9 144 16 B E H X S+ 0 0 96 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.922 116.9 40.9 -67.1 -47.2 -21.2 -66.6 3.3 145 17 B I H X S+ 0 0 35 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.951 118.3 46.2 -66.0 -49.8 -23.0 -63.8 1.4 146 18 B F H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 3,-0.4 0.939 113.9 45.3 -63.0 -50.5 -20.0 -62.6 -0.5 147 19 B Y H X S+ 0 0 14 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.750 107.3 59.7 -70.7 -22.0 -18.7 -65.9 -1.7 148 20 B E H X S+ 0 0 95 -4,-1.2 4,-1.3 -5,-0.3 -1,-0.2 0.885 109.5 44.2 -63.2 -40.0 -22.2 -67.1 -2.7 149 21 B K H X S+ 0 0 54 -4,-1.5 4,-0.8 -3,-0.4 -2,-0.2 0.902 112.9 50.6 -71.1 -42.9 -22.2 -64.1 -5.1 150 22 B V H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.912 108.6 52.9 -58.1 -44.3 -18.7 -64.8 -6.3 151 23 B R H 3< S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.846 112.8 44.2 -61.2 -36.0 -19.7 -68.4 -7.0 152 24 B K H 3< S+ 0 0 162 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.525 89.5 108.5 -86.8 -12.0 -22.7 -67.3 -9.1 153 25 B D S+ 0 0 58 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.863 126.8 34.8 -96.4 -43.9 -16.6 -63.9 -14.6 156 28 B L H > S+ 0 0 8 2,-0.1 4,-2.1 1,-0.1 5,-0.2 0.846 105.6 71.6 -80.6 -35.6 -15.3 -64.6 -11.1 157 29 B G H X S+ 0 0 3 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.882 99.6 43.0 -48.4 -57.8 -17.0 -68.0 -10.8 158 30 B P H > S+ 0 0 63 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.854 111.5 56.1 -58.0 -39.1 -14.8 -69.9 -13.2 159 31 B I H X S+ 0 0 37 -4,-0.7 4,-1.2 2,-0.2 -2,-0.2 0.911 113.0 40.2 -60.8 -44.3 -11.6 -68.3 -11.9 160 32 B F H X>S+ 0 0 50 -4,-2.1 4,-3.2 2,-0.2 5,-0.7 0.918 115.4 51.0 -71.9 -45.2 -12.4 -69.5 -8.3 161 33 B N H X5S+ 0 0 43 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.882 110.5 49.7 -58.9 -40.7 -13.6 -72.9 -9.4 162 34 B N H <5S+ 0 0 138 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.815 119.3 38.2 -67.7 -30.8 -10.5 -73.5 -11.5 163 35 B A H <5S+ 0 0 59 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.862 135.0 16.1 -88.4 -41.0 -8.2 -72.5 -8.5 164 36 B I H <5S- 0 0 28 -4,-3.2 -3,-0.2 1,-0.2 3,-0.2 0.566 106.1-117.9-110.9 -14.6 -10.0 -74.0 -5.5 165 37 B G << - 0 0 17 -4,-1.4 -1,-0.2 -5,-0.7 -2,-0.1 -0.279 23.5 -84.1 100.4 173.2 -12.4 -76.5 -7.1 166 38 B T S S+ 0 0 105 -2,-0.1 -1,-0.1 -4,-0.1 -5,-0.1 0.488 82.2 115.7 -95.6 -8.0 -16.2 -76.9 -7.3 167 39 B S > - 0 0 32 -3,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.337 67.7-131.6 -74.7 149.8 -16.8 -78.8 -4.0 168 40 B D H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.857 110.8 52.7 -60.1 -36.6 -18.8 -77.4 -1.1 169 41 B E H > S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.826 106.8 51.5 -70.8 -32.5 -15.9 -78.3 1.3 170 42 B E H > S+ 0 0 64 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.849 113.2 45.5 -70.2 -36.4 -13.4 -76.5 -0.9 171 43 B W H X S+ 0 0 5 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.829 111.5 52.3 -75.6 -36.0 -15.6 -73.4 -0.8 172 44 B K H X S+ 0 0 147 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.917 109.8 49.2 -61.0 -47.8 -16.2 -73.7 3.0 173 45 B E H X S+ 0 0 94 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.854 112.4 48.3 -60.8 -36.1 -12.4 -73.9 3.6 174 46 B H H X S+ 0 0 55 -4,-1.2 4,-2.7 2,-0.2 5,-0.2 0.924 109.9 50.0 -76.7 -37.9 -11.8 -70.9 1.5 175 47 B K H X S+ 0 0 32 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.878 114.3 47.1 -58.5 -40.6 -14.6 -68.8 3.2 176 48 B A H X S+ 0 0 63 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.891 112.2 49.4 -67.6 -44.3 -13.0 -69.9 6.6 177 49 B K H X S+ 0 0 62 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.917 114.6 43.9 -58.5 -46.2 -9.5 -69.0 5.3 178 50 B I H X S+ 0 0 42 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.896 111.3 53.9 -70.4 -40.3 -10.7 -65.5 4.0 179 51 B G H X S+ 0 0 6 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.906 108.1 51.0 -54.0 -44.6 -12.7 -64.9 7.2 180 52 B N H X S+ 0 0 38 -4,-2.1 4,-2.0 2,-0.2 12,-0.4 0.891 108.3 51.7 -60.5 -43.7 -9.5 -65.7 9.2 181 53 B F H X S+ 0 0 24 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.936 113.2 44.9 -56.6 -48.1 -7.6 -63.1 7.0 182 54 B W H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 5,-0.4 0.864 108.0 56.5 -67.2 -38.5 -10.3 -60.5 7.7 183 55 B A H X>S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 6,-1.9 0.887 111.1 45.5 -60.0 -39.7 -10.4 -61.3 11.5 184 56 B G H X5S+ 0 0 31 -4,-2.0 4,-1.3 4,-0.3 -2,-0.2 0.957 115.8 45.6 -64.6 -51.3 -6.7 -60.6 11.6 185 57 B M H <5S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.794 125.6 28.8 -63.2 -34.3 -7.0 -57.4 9.5 186 58 B L H <5S+ 0 0 40 -4,-2.6 -1,-0.2 -5,-0.1 -3,-0.2 0.765 137.9 15.7-101.8 -26.7 -10.0 -56.0 11.4 187 59 B L H <5S- 0 0 55 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.2 0.487 91.9-117.4-128.0 -12.3 -9.7 -57.3 15.0 188 60 B G S < + 0 0 125 1,-0.2 4,-1.8 2,-0.1 -1,-0.1 -0.816 34.7 178.1-114.9 88.9 0.5 -65.3 1.2 196 68 B P H > S+ 0 0 12 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.931 76.3 46.3 -57.4 -53.9 -2.3 -63.2 -0.4 197 69 B L H >> S+ 0 0 14 -70,-0.6 4,-2.6 1,-0.2 3,-1.0 0.956 112.9 48.7 -57.7 -57.7 -0.3 -61.3 -3.1 198 70 B K H 3> S+ 0 0 110 -71,-1.0 4,-2.1 1,-0.3 -1,-0.2 0.861 107.3 57.8 -45.1 -48.5 1.6 -64.4 -4.4 199 71 B K H 3< S+ 0 0 117 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.847 111.9 40.2 -52.6 -40.8 -1.7 -66.3 -4.6 200 72 B H H X< S+ 0 0 58 -4,-1.5 3,-1.0 -3,-1.0 -2,-0.2 0.846 112.5 54.4 -80.7 -36.6 -3.2 -63.7 -6.9 201 73 B L H 3< S+ 0 0 74 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.826 108.3 52.1 -62.2 -30.8 0.0 -63.2 -8.9 202 74 B D T 3< S+ 0 0 109 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.457 87.5 102.7 -87.1 -5.4 0.0 -67.0 -9.5 203 75 B L S < S- 0 0 42 -3,-1.0 3,-0.1 -4,-0.2 -3,-0.0 -0.433 90.1 -88.9 -71.4 151.1 -3.6 -67.1 -10.8 204 76 B P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.325 65.9 -76.6 -55.4 146.8 -4.0 -67.4 -14.6 205 77 B P + 0 0 137 0, 0.0 -4,-0.0 0, 0.0 -3,-0.0 -0.149 58.6 170.6 -49.9 135.2 -4.1 -64.0 -16.2 206 78 B F - 0 0 33 -3,-0.1 2,-0.1 -47,-0.0 -3,-0.0 -0.983 35.2 -99.2-144.4 149.7 -7.4 -62.0 -15.8 207 79 B P > - 0 0 70 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.349 28.0-116.1 -74.7 152.7 -8.2 -58.3 -16.7 208 80 B Q T >> S+ 0 0 29 1,-0.3 3,-2.4 2,-0.2 4,-0.6 0.759 107.4 77.8 -52.0 -32.2 -8.2 -55.5 -14.1 209 81 B E H >> S+ 0 0 88 1,-0.3 4,-1.3 2,-0.2 3,-0.9 0.785 80.3 68.4 -47.4 -35.4 -11.9 -55.0 -14.8 210 82 B F H <> S+ 0 0 33 -3,-2.0 4,-2.5 1,-0.2 -1,-0.3 0.696 89.1 63.9 -63.5 -21.3 -12.6 -58.1 -12.6 211 83 B F H <> S+ 0 0 14 -3,-2.4 4,-2.7 -4,-0.2 -1,-0.2 0.849 100.0 52.6 -69.9 -34.3 -11.5 -56.1 -9.5 212 84 B E H - 0 0 47 -96,-1.9 4,-2.3 -2,-0.2 5,-0.2 -0.290 51.8 -87.9 -85.8 175.0 -24.4 -50.6 9.1 228 100 B E H > S+ 0 0 128 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.846 122.5 53.1 -55.3 -41.6 -22.8 -47.6 7.3 229 101 B E H > S+ 0 0 131 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.948 114.4 39.2 -65.7 -49.4 -20.0 -47.1 9.8 230 102 B M H > S+ 0 0 26 2,-0.2 4,-2.4 -99,-0.2 5,-0.2 0.847 111.3 59.1 -69.7 -38.6 -18.6 -50.7 9.7 231 103 B K H X S+ 0 0 14 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.915 106.9 48.5 -53.6 -44.7 -19.2 -51.0 6.0 232 104 B N H X S+ 0 0 65 -4,-1.9 4,-1.8 2,-0.2 5,-0.2 0.857 109.0 52.6 -69.1 -36.4 -16.9 -48.0 5.5 233 105 B V H X S+ 0 0 66 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.974 117.5 36.8 -57.8 -56.5 -14.2 -49.4 7.7 234 106 B I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.915 115.7 52.6 -69.2 -44.6 -14.2 -52.8 5.8 235 107 B L H X S+ 0 0 9 -4,-3.1 4,-3.2 -5,-0.2 5,-0.2 0.938 108.8 49.6 -56.2 -50.7 -14.7 -51.3 2.3 236 108 B Q H X S+ 0 0 88 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.863 111.8 49.2 -58.3 -38.2 -11.8 -48.8 2.6 237 109 B R H X S+ 0 0 112 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.958 113.3 46.3 -64.6 -50.0 -9.6 -51.6 3.7 238 110 B A H X S+ 0 0 4 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.881 111.1 53.1 -57.0 -42.7 -10.7 -53.9 0.8 239 111 B Q H X S+ 0 0 16 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.911 109.9 47.1 -61.7 -44.1 -10.2 -51.0 -1.7 240 112 B M H X S+ 0 0 18 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.926 114.9 46.3 -63.9 -43.1 -6.7 -50.3 -0.5 241 113 B I H X S+ 0 0 16 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.896 112.4 50.4 -66.4 -42.6 -5.8 -54.0 -0.7 242 114 B A H X S+ 0 0 6 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.946 110.9 49.7 -56.2 -47.3 -7.5 -54.3 -4.1 243 115 B S H X S+ 0 0 1 -4,-2.7 4,-2.8 -123,-0.3 -2,-0.2 0.885 109.6 51.0 -62.0 -42.1 -5.5 -51.3 -5.3 244 116 B H H X S+ 0 0 9 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.896 110.3 48.8 -61.3 -45.1 -2.2 -52.9 -4.0 245 117 B F H >X S+ 0 0 15 -4,-2.4 4,-2.2 2,-0.2 3,-0.5 0.919 112.2 49.8 -58.5 -45.8 -3.0 -56.2 -5.8 246 118 B Q H 3X S+ 0 0 2 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.928 103.2 60.0 -59.1 -47.0 -3.7 -54.2 -9.0 247 119 B N H 3< S+ 0 0 23 -4,-2.8 5,-0.3 1,-0.2 -1,-0.2 0.814 113.7 36.9 -49.9 -34.4 -0.4 -52.3 -8.7 248 120 B M H X< S+ 0 0 88 -4,-1.1 3,-0.6 -3,-0.5 -1,-0.2 0.823 119.8 45.6 -89.8 -36.6 1.5 -55.6 -8.9 249 121 B L H 3< S+ 0 0 49 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.822 125.1 30.6 -75.3 -36.6 -0.6 -57.4 -11.4 250 122 B Y T 3< S- 0 0 53 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.365 89.9-174.2-122.4 48.1 -0.9 -54.5 -13.9 251 123 B K < 0 0 178 -3,-0.6 -3,-0.1 1,-0.1 -4,-0.1 -0.038 360.0 360.0 -47.1 140.3 2.4 -52.8 -13.2 252 124 B Y 0 0 145 -5,-0.3 -1,-0.1 -176,-0.0 -174,-0.1 0.798 360.0 360.0 -84.4 360.0 3.2 -49.4 -14.8