==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 04-NOV-91 1PBX . COMPND 2 MOLECULE: HEMOGLOBIN (CARBONMONOXY) (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: TREMATOMUS BERNACCHII; . AUTHOR G.FERMI . 288 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 76.4 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 . 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 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 1 0 1 0 0 0 1 1 1 2 0 1 2 3 0 0 0 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 S 0 0 146 0, 0.0 2,-0.3 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 113.5 4.9 -16.6 -4.5 2 2 A L - 0 0 28 72,-0.2 2,-0.1 126,-0.1 123,-0.0 -0.594 360.0-152.7 -74.5 126.3 8.4 -17.8 -4.8 3 3 A S > - 0 0 46 -2,-0.3 4,-2.1 1,-0.0 5,-0.2 -0.230 37.7 -95.7 -88.2 178.5 9.4 -20.0 -7.7 4 4 A D H > S+ 0 0 141 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.921 129.1 48.1 -68.4 -38.6 12.2 -22.5 -7.6 5 5 A K H > S+ 0 0 147 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.815 105.2 58.3 -74.2 -22.6 14.6 -19.9 -9.0 6 6 A D H > S+ 0 0 9 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.949 110.0 44.3 -61.6 -52.5 13.4 -17.4 -6.4 7 7 A K H X S+ 0 0 32 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.856 113.6 49.5 -53.8 -42.1 14.4 -19.8 -3.5 8 8 A A H X S+ 0 0 47 -4,-2.0 4,-3.3 -5,-0.2 5,-0.3 0.975 112.6 49.3 -61.4 -49.9 17.7 -20.7 -5.2 9 9 A A H X S+ 0 0 33 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.957 110.6 47.1 -55.1 -57.8 18.3 -17.0 -5.6 10 10 A V H X S+ 0 0 7 -4,-3.0 4,-3.6 1,-0.2 5,-0.2 0.884 115.3 50.2 -53.4 -40.7 17.6 -16.0 -2.0 11 11 A R H X S+ 0 0 117 -4,-2.3 4,-1.4 -5,-0.3 -2,-0.2 0.927 107.3 49.0 -68.6 -47.0 19.8 -18.9 -0.9 12 12 A A H X S+ 0 0 47 -4,-3.3 4,-1.2 1,-0.2 -1,-0.2 0.817 116.9 45.8 -57.2 -39.1 22.8 -18.1 -3.1 13 13 A L H >X S+ 0 0 11 -4,-2.5 4,-2.4 -5,-0.3 3,-1.0 0.971 110.1 50.1 -72.6 -45.8 22.6 -14.5 -1.7 14 14 A W H 3X S+ 0 0 56 -4,-3.6 4,-1.9 1,-0.3 -1,-0.2 0.752 106.5 59.9 -57.2 -27.2 22.1 -15.4 1.9 15 15 A S H 3< S+ 0 0 100 -4,-1.4 4,-0.3 -5,-0.2 -1,-0.3 0.871 113.5 35.2 -68.2 -35.1 25.1 -17.7 1.4 16 16 A K H << S+ 0 0 110 -4,-1.2 3,-0.3 -3,-1.0 -2,-0.2 0.841 124.9 40.1 -82.3 -38.9 27.3 -14.6 0.5 17 17 A I H >< S+ 0 0 2 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.722 92.4 87.0 -80.5 -42.9 25.6 -12.0 2.9 18 18 A G G >< S+ 0 0 23 -4,-1.9 3,-1.8 -5,-0.3 4,-0.2 0.689 72.9 67.3 -40.3 -44.3 25.2 -14.2 5.9 19 19 A K G 3 S+ 0 0 173 1,-0.3 3,-0.3 -3,-0.3 -1,-0.3 0.829 107.1 43.8 -46.4 -41.5 28.6 -13.7 7.5 20 20 A S G <> S+ 0 0 29 -3,-1.6 4,-2.3 1,-0.2 3,-0.4 0.040 75.0 122.8 -94.7 18.8 27.6 -10.1 8.2 21 21 A A H <> S+ 0 0 12 -3,-1.8 4,-2.7 1,-0.3 -1,-0.2 0.850 75.5 49.4 -55.4 -39.8 24.0 -10.7 9.4 22 22 A D H > S+ 0 0 84 -3,-0.3 4,-1.9 -4,-0.2 -1,-0.3 0.858 111.3 47.4 -68.2 -43.0 24.6 -9.0 12.7 23 23 A A H > S+ 0 0 52 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.893 113.9 50.7 -60.1 -44.2 26.1 -5.8 11.1 24 24 A I H X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.910 110.7 47.8 -64.0 -47.9 23.1 -5.9 8.7 25 25 A G H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.879 114.1 44.6 -63.1 -45.5 20.6 -6.1 11.5 26 26 A N H X S+ 0 0 35 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.960 118.2 44.8 -61.5 -52.0 22.1 -3.4 13.7 27 27 A D H X S+ 0 0 32 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.902 114.8 48.0 -59.4 -52.4 22.5 -1.0 10.6 28 28 A A H X S+ 0 0 1 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 0.927 113.4 47.1 -59.4 -49.9 19.0 -1.8 9.3 29 29 A L H X S+ 0 0 3 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.899 111.7 51.1 -65.9 -34.4 17.3 -1.3 12.7 30 30 A S H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.925 109.1 50.1 -69.6 -44.3 19.2 2.0 13.3 31 31 A R H X S+ 0 0 6 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.876 108.2 55.8 -56.8 -37.8 18.2 3.4 9.8 32 32 A M H X S+ 0 0 9 -4,-1.8 4,-1.4 -5,-0.2 7,-0.3 0.923 111.3 40.6 -63.0 -47.3 14.6 2.5 10.6 33 33 A I H < S+ 0 0 7 -4,-1.6 7,-0.2 1,-0.2 -1,-0.2 0.745 120.6 44.4 -73.2 -32.0 14.4 4.5 13.9 34 34 A V H < S+ 0 0 57 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.943 122.6 32.4 -80.3 -50.4 16.3 7.4 12.5 35 35 A V H < S+ 0 0 21 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.585 131.0 33.0 -84.5 -17.9 14.6 7.8 9.0 36 36 A Y >< + 0 0 38 -4,-1.4 3,-2.3 -5,-0.4 -1,-0.2 -0.622 68.8 171.8-139.0 69.3 11.0 6.7 10.1 37 37 A P G > + 0 0 69 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.549 66.7 82.6 -68.3 -1.7 10.9 7.9 13.6 38 38 A Q G > S+ 0 0 126 1,-0.2 3,-0.8 2,-0.1 -5,-0.1 0.884 87.5 60.0 -68.7 -27.7 7.2 7.0 13.7 39 39 A T G X S+ 0 0 2 -3,-2.3 3,-1.3 -7,-0.3 4,-0.4 0.632 79.4 86.3 -73.2 -10.1 8.7 3.4 14.5 40 40 A K G X S+ 0 0 108 -3,-1.0 3,-1.6 1,-0.2 4,-0.4 0.812 74.1 71.3 -65.5 -31.2 10.5 4.5 17.7 41 41 A T G < S+ 0 0 103 -3,-0.8 3,-0.5 -4,-0.4 -1,-0.2 0.750 88.0 62.0 -59.9 -19.8 7.4 4.0 19.9 42 42 A Y G < S+ 0 0 75 -3,-1.3 -1,-0.3 1,-0.2 3,-0.2 0.726 113.8 35.6 -74.7 -20.6 7.6 0.2 19.6 43 43 A F S X S+ 0 0 30 -3,-1.6 3,-2.2 -4,-0.4 -1,-0.2 0.275 80.0 117.0-114.8 13.8 11.0 0.3 21.3 44 44 A S T 3 + 0 0 86 -3,-0.5 -1,-0.1 -4,-0.4 -2,-0.1 0.705 66.5 67.9 -54.6 -24.5 10.2 3.2 23.7 45 45 A H T 3 S+ 0 0 140 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.588 82.7 91.1 -75.0 -9.5 10.8 0.8 26.8 46 46 A W S < S- 0 0 44 -3,-2.2 3,-0.1 1,-0.1 -3,-0.0 -0.628 78.3-133.9 -83.6 140.3 14.6 0.5 25.9 47 47 A P S S+ 0 0 113 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.941 91.4 31.1 -60.6 -50.9 16.9 3.2 27.6 48 48 A D + 0 0 63 1,-0.0 7,-0.4 2,-0.0 8,-0.2 -0.982 60.1 173.3-116.6 119.2 18.9 4.2 24.7 49 49 A V + 0 0 25 -2,-0.5 -6,-0.1 -3,-0.1 -1,-0.0 -0.588 42.0 112.4-124.7 58.3 17.2 4.1 21.2 50 50 A T S S- 0 0 71 -2,-0.1 6,-0.3 -16,-0.0 3,-0.1 -0.895 84.0 -93.9-126.1 147.6 20.0 5.7 19.1 51 51 A P S S+ 0 0 57 0, 0.0 -21,-0.1 0, 0.0 -20,-0.1 0.684 123.1 51.1 -35.9 -35.7 22.2 4.2 16.3 52 52 A G S S+ 0 0 62 -22,-0.1 5,-0.2 4,-0.0 -22,-0.1 0.993 83.7 125.9 -58.3 -70.4 25.0 3.4 18.8 53 53 A S > - 0 0 4 -3,-0.1 4,-1.5 3,-0.1 5,-0.1 0.720 60.3-141.3 5.0 126.7 22.9 1.6 21.4 54 54 A P H > S+ 0 0 94 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.750 105.1 58.9 -68.0 -23.9 23.6 -1.9 22.7 55 55 A H H > S+ 0 0 73 -7,-0.4 4,-2.0 2,-0.2 5,-0.1 0.893 106.2 46.3 -67.3 -50.3 19.9 -2.5 22.7 56 56 A I H > S+ 0 0 1 -6,-0.3 4,-1.2 -8,-0.2 -1,-0.2 0.741 112.5 52.3 -64.1 -39.6 19.7 -1.9 19.0 57 57 A K H X S+ 0 0 121 -4,-1.5 4,-1.2 -5,-0.2 -2,-0.2 0.847 110.1 46.1 -71.5 -36.7 22.7 -4.1 18.4 58 58 A A H X S+ 0 0 49 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.947 116.0 44.2 -73.6 -44.7 21.4 -7.1 20.3 59 59 A H H X S+ 0 0 49 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.747 105.0 61.3 -71.4 -22.2 18.0 -7.0 18.7 60 60 A G H X S+ 0 0 0 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.845 104.3 53.0 -69.0 -33.7 19.4 -6.4 15.2 61 61 A K H X S+ 0 0 92 -4,-1.2 4,-1.7 1,-0.2 -2,-0.2 0.983 109.3 48.3 -62.7 -51.8 21.1 -9.8 15.8 62 62 A K H X S+ 0 0 149 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.891 109.1 51.1 -56.7 -45.8 17.7 -11.3 16.6 63 63 A V H X S+ 0 0 32 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.879 111.1 47.2 -56.9 -44.1 15.8 -9.8 13.5 64 64 A M H X S+ 0 0 4 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.821 107.0 58.3 -70.5 -30.5 18.5 -11.2 11.2 65 65 A G H X S+ 0 0 41 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.866 105.6 51.3 -65.0 -38.5 18.2 -14.5 13.1 66 66 A G H X S+ 0 0 14 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.880 108.7 49.7 -68.9 -30.7 14.5 -14.3 12.1 67 67 A I H X S+ 0 0 19 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.943 110.8 49.2 -72.3 -44.1 15.6 -13.7 8.4 68 68 A A H X S+ 0 0 33 -4,-2.7 4,-2.8 2,-0.2 3,-0.4 0.953 109.0 53.9 -54.9 -47.3 17.9 -16.8 8.6 69 69 A L H X S+ 0 0 54 -4,-2.3 4,-2.0 1,-0.3 -2,-0.2 0.883 109.7 47.3 -52.2 -52.4 14.9 -18.8 10.0 70 70 A A H < S+ 0 0 0 -4,-2.0 -1,-0.3 2,-0.3 -2,-0.2 0.747 106.6 55.4 -61.0 -37.4 12.8 -17.8 7.0 71 71 A V H >< S+ 0 0 17 -4,-1.9 3,-1.7 -3,-0.4 -2,-0.2 0.974 111.4 47.8 -60.1 -49.7 15.6 -18.7 4.5 72 72 A S H 3< S+ 0 0 90 -4,-2.8 -2,-0.3 1,-0.3 3,-0.2 0.855 118.2 39.5 -54.0 -54.2 15.5 -22.2 6.2 73 73 A K T >< S+ 0 0 100 -4,-2.0 3,-2.3 1,-0.2 7,-0.3 -0.078 74.1 129.8 -86.5 22.5 11.6 -22.3 6.0 74 74 A I T < + 0 0 7 -3,-1.7 3,-0.4 1,-0.3 -1,-0.2 0.632 67.0 61.9 -54.5 -12.7 11.2 -20.8 2.5 75 75 A D T 3 S+ 0 0 115 1,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.769 123.0 17.5 -87.8 -20.1 8.9 -23.6 1.3 76 76 A D <> + 0 0 70 -3,-2.3 4,-3.0 -6,-0.1 -1,-0.2 -0.604 64.1 163.9-157.6 85.2 6.3 -22.6 4.0 77 77 A L H > S+ 0 0 19 -3,-0.4 4,-2.3 2,-0.2 -1,-0.1 0.919 77.5 63.8 -63.1 -44.6 6.8 -19.2 5.4 78 78 A K H 4 S+ 0 0 104 2,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.913 114.4 27.2 -52.1 -59.1 3.4 -19.3 6.8 79 79 A T H >4 S+ 0 0 86 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.891 117.2 61.9 -77.4 -30.7 4.0 -22.2 9.3 80 80 A G H 3< S+ 0 0 15 -4,-3.0 3,-0.2 -7,-0.3 -1,-0.2 0.782 114.4 31.8 -59.6 -34.2 7.7 -21.5 9.7 81 81 A L T 3X S+ 0 0 2 -4,-2.3 4,-2.4 -3,-0.3 -1,-0.2 0.166 80.0 116.8-113.8 19.7 7.1 -17.9 11.1 82 82 A M H <> S+ 0 0 70 -3,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.783 76.9 52.3 -55.6 -35.4 3.8 -18.6 12.9 83 83 A E H > S+ 0 0 110 -4,-0.3 4,-1.9 -3,-0.2 -1,-0.2 0.939 110.6 46.2 -69.8 -44.8 5.5 -17.8 16.3 84 84 A L H > S+ 0 0 41 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.813 112.4 52.4 -58.0 -42.9 6.9 -14.5 15.1 85 85 A S H X>S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 5,-1.4 0.924 105.0 55.0 -63.0 -41.6 3.4 -13.7 13.6 86 86 A E H X>S+ 0 0 80 -4,-1.9 5,-1.8 -5,-0.2 4,-1.0 0.981 115.4 39.3 -56.9 -54.1 1.7 -14.5 16.9 87 87 A Q H <>S+ 0 0 75 -4,-1.9 5,-3.3 3,-0.2 6,-0.2 0.914 125.4 33.6 -64.9 -47.0 3.9 -11.9 18.7 88 88 A H H <5S+ 0 0 49 -4,-2.9 6,-2.2 3,-0.2 -3,-0.2 0.970 128.7 32.2 -76.3 -57.8 4.1 -9.2 16.1 89 89 A A H <5S+ 0 0 0 -4,-1.5 -3,-0.2 48,-0.5 -2,-0.2 0.752 134.4 26.0 -74.7 -29.9 0.6 -9.3 14.5 90 90 A Y T < - 0 0 81 -2,-0.5 3,-2.6 1,-0.2 4,-0.5 -0.482 21.3-132.9 -62.3 117.2 1.2 -1.9 12.1 96 96 A P T >> S+ 0 0 70 0, 0.0 4,-0.9 0, 0.0 3,-0.7 0.684 101.9 68.6 -38.2 -34.3 1.7 -3.8 8.9 97 97 A A H 3> S+ 0 0 38 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.863 88.1 65.1 -62.0 -35.6 3.1 -0.7 7.1 98 98 A N H <> S+ 0 0 11 -3,-2.6 4,-2.7 1,-0.3 5,-0.3 0.805 93.6 61.1 -61.4 -33.2 6.2 -0.9 9.4 99 99 A F H <> S+ 0 0 24 -3,-0.7 4,-2.4 -4,-0.5 -1,-0.3 0.901 101.4 51.3 -63.8 -39.9 7.1 -4.2 7.7 100 100 A K H X S+ 0 0 154 -4,-0.9 4,-1.8 -3,-0.5 -1,-0.2 0.894 113.5 49.1 -57.9 -38.9 7.4 -2.5 4.3 101 101 A I H >X S+ 0 0 20 -4,-1.5 4,-2.4 2,-0.2 3,-0.6 0.975 111.1 43.3 -60.6 -66.6 9.7 0.0 6.1 102 102 A L H 3X S+ 0 0 31 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.848 113.3 55.1 -46.6 -44.1 12.0 -2.4 7.8 103 103 A N H 3X S+ 0 0 18 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.3 0.890 107.6 48.8 -56.9 -44.7 12.2 -4.4 4.6 104 104 A H H - 0 0 48 -2,-2.4 4,-2.9 1,-0.1 5,-0.1 -0.407 53.6-106.5 -81.4 167.1 22.0 -7.3 -8.7 120 120 A P H > S+ 0 0 21 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.920 123.8 53.1 -55.8 -45.6 18.6 -6.4 -10.2 121 121 A E H > S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.932 112.0 43.2 -59.8 -45.8 17.9 -10.1 -10.5 122 122 A A H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.836 109.9 60.2 -63.7 -34.7 18.7 -10.8 -6.8 123 123 A H H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.920 101.4 51.6 -62.3 -49.9 16.8 -7.7 -6.1 124 124 A V H X S+ 0 0 38 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.886 114.8 41.1 -54.0 -49.1 13.6 -9.1 -7.6 125 125 A S H X S+ 0 0 6 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.842 112.7 52.8 -74.3 -31.5 13.7 -12.4 -5.6 126 126 A L H X S+ 0 0 13 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.862 110.9 50.2 -69.5 -31.6 14.8 -10.8 -2.3 127 127 A D H X S+ 0 0 28 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.918 109.6 47.4 -72.0 -46.3 11.8 -8.5 -2.7 128 128 A K H X S+ 0 0 75 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.932 114.8 50.8 -59.3 -36.6 9.3 -11.4 -3.4 129 129 A F H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.937 110.4 45.6 -62.7 -52.0 10.9 -13.1 -0.3 130 130 A L H X S+ 0 0 1 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.901 113.5 51.5 -62.9 -33.4 10.6 -10.0 2.1 131 131 A S H X S+ 0 0 62 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.918 109.8 48.4 -68.3 -38.3 7.1 -9.6 0.8 132 132 A G H X S+ 0 0 23 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.848 110.0 53.8 -66.8 -37.2 6.3 -13.3 1.6 133 133 A V H X S+ 0 0 8 -4,-2.8 4,-3.6 2,-0.2 5,-0.2 0.947 110.2 46.1 -56.6 -51.3 7.9 -12.7 5.1 134 134 A A H X S+ 0 0 19 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.917 113.9 48.0 -56.7 -48.3 5.6 -9.8 5.7 135 135 A L H < S+ 0 0 121 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.921 112.4 48.7 -64.3 -42.7 2.6 -11.7 4.6 136 136 A A H >< S+ 0 0 7 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.904 111.7 49.6 -60.7 -47.2 3.6 -14.7 6.7 137 137 A L H >< S+ 0 0 18 -4,-3.6 3,-0.5 1,-0.2 -48,-0.5 0.744 104.7 61.2 -64.3 -20.8 4.1 -12.3 9.7 138 138 A A G >< S+ 0 0 29 -4,-1.6 3,-1.7 -5,-0.2 4,-0.4 0.571 75.4 101.0 -83.0 -5.7 0.6 -10.8 9.0 139 139 A E G < S+ 0 0 73 -3,-1.3 -1,-0.2 -4,-0.4 3,-0.2 0.780 76.3 50.4 -47.8 -43.6 -1.1 -14.2 9.6 140 140 A R G < S+ 0 0 86 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.281 86.1 87.4 -92.6 18.6 -2.4 -13.6 13.1 141 141 A Y < 0 0 53 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.1 0.986 360.0 360.0 -69.5 -63.1 -4.1 -10.2 12.6 142 142 A R 0 0 299 -4,-0.4 -1,-0.1 -3,-0.2 -53,-0.0 -0.642 360.0 360.0-134.3 360.0 -7.6 -11.1 11.5 143 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 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11 B I H X S+ 0 0 0 -4,-3.3 4,-2.0 2,-0.2 -1,-0.2 0.876 113.2 45.9 -62.6 -38.1 21.2 17.3 -0.4 155 12 B S H X S+ 0 0 60 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.887 113.2 51.7 -70.8 -35.7 23.3 19.8 -2.3 156 13 B D H X S+ 0 0 87 -4,-3.0 4,-1.2 -5,-0.2 3,-0.4 0.945 108.8 49.7 -61.5 -49.3 26.4 17.7 -1.5 157 14 B I H >< S+ 0 0 10 -4,-3.1 3,-0.6 1,-0.2 4,-0.3 0.884 114.0 45.7 -55.7 -48.9 24.7 14.4 -2.8 158 15 B F H 3< S+ 0 0 15 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.633 108.9 55.2 -70.6 -17.1 23.6 16.1 -6.1 159 16 B S H 3< S+ 0 0 78 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.761 112.6 40.3 -91.2 -13.6 26.9 17.7 -6.7 160 17 B H S << S+ 0 0 131 -4,-1.2 2,-0.3 -3,-0.6 -1,-0.2 0.377 94.0 117.6-108.3 5.2 29.0 14.5 -6.5 161 18 B M - 0 0 18 -4,-0.3 2,-1.0 -5,-0.1 3,-0.1 -0.519 59.0-144.3 -83.3 138.6 26.4 12.5 -8.4 162 19 B D >> - 0 0 85 -2,-0.3 4,-3.1 1,-0.2 3,-0.9 -0.817 12.9-172.5-101.3 100.8 26.9 10.8 -11.7 163 20 B Y H 3> S+ 0 0 30 -2,-1.0 4,-2.7 1,-0.3 -1,-0.2 0.766 83.4 57.9 -51.8 -41.9 23.6 11.2 -13.5 164 21 B D H 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-4,-1.6 4,-1.9 -3,-0.3 -1,-0.2 0.939 110.7 47.6 -64.3 -45.8 12.4 -0.1 -11.3 175 32 B L H < S+ 0 0 0 -4,-2.4 7,-0.3 2,-0.2 -2,-0.2 0.693 118.2 42.4 -65.6 -31.3 11.2 -1.7 -14.6 176 33 B I H < S+ 0 0 17 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.911 118.4 40.0 -85.4 -49.4 12.7 -5.0 -13.6 177 34 B V H < S+ 0 0 11 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.785 130.0 30.0 -70.9 -28.9 11.6 -5.2 -9.8 178 35 B Y S >< S+ 0 0 28 -4,-1.9 3,-1.2 -5,-0.3 -1,-0.3 -0.708 75.6 176.4-133.1 71.8 8.0 -3.7 -10.5 179 36 B P G > + 0 0 64 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.455 68.2 73.9 -66.2 -13.7 7.3 -4.9 -14.0 180 37 B W G > S+ 0 0 153 1,-0.3 3,-2.3 2,-0.1 4,-0.3 0.766 83.8 74.8 -65.0 -29.6 3.8 -3.5 -14.3 181 38 B T G X S+ 0 0 9 -3,-1.2 3,-1.5 1,-0.3 -1,-0.3 0.829 78.5 72.8 -48.7 -34.5 5.6 -0.1 -14.6 182 39 B Q G X S+ 0 0 51 -3,-1.1 3,-0.6 -7,-0.3 -1,-0.3 0.478 74.9 81.3 -63.1 -12.9 6.7 -1.0 -18.2 183 40 B R G < S+ 0 0 209 -3,-2.3 3,-0.4 1,-0.2 -1,-0.3 0.797 95.1 45.9 -61.5 -39.3 3.0 -0.4 -19.3 184 41 B H G < S+ 0 0 71 -3,-1.5 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126.6 44.0 -61.1 -37.5 16.2 -8.1 -17.4 195 52 B E H > S+ 0 0 122 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.768 108.5 56.3 -81.2 -23.7 19.2 -7.8 -19.8 196 53 B A H > S+ 0 0 15 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.897 112.2 45.6 -66.4 -44.8 17.2 -6.2 -22.7 197 54 B I H >< S+ 0 0 3 -4,-1.8 3,-0.5 2,-0.2 -2,-0.2 0.918 108.6 54.3 -64.7 -48.4 16.2 -3.4 -20.1 198 55 B I H 3< S+ 0 0 68 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.835 117.9 35.3 -59.5 -37.9 19.7 -2.9 -18.7 199 56 B G H 3< S+ 0 0 64 -4,-1.5 2,-0.4 -5,-0.1 -1,-0.3 0.408 86.6 119.0 -93.7 -6.8 21.2 -2.3 -22.2 200 57 B N S+ 0 0 73 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.792 89.3 60.8 -69.8 -28.7 19.4 3.1 -24.6 202 59 B N H > S+ 0 0 94 -14,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.816 108.0 45.0 -63.0 -37.7 15.9 4.5 -24.5 203 60 B V H > S+ 0 0 0 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.838 112.5 51.9 -73.3 -40.6 15.6 3.5 -20.9 204 61 B A H X S+ 0 0 29 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.935 110.4 45.9 -63.4 -53.7 19.1 4.9 -20.1 205 62 B A H X S+ 0 0 54 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.851 114.4 50.3 -60.1 -36.6 18.5 8.3 -21.6 206 63 B H H X S+ 0 0 49 -4,-1.3 4,-1.3 -5,-0.2 -1,-0.2 0.780 105.1 55.5 -76.4 -25.8 15.1 8.4 -19.8 207 64 B G H X S+ 0 0 1 -4,-1.5 4,-1.5 2,-0.2 3,-0.3 0.923 105.4 54.0 -67.5 -40.3 16.7 7.5 -16.5 208 65 B I H X S+ 0 0 39 -4,-2.0 4,-1.9 1,-0.3 -2,-0.2 0.841 106.2 52.8 -59.4 -41.1 19.1 10.5 -16.9 209 66 B K H X S+ 0 0 125 -4,-1.2 4,-1.8 2,-0.2 -1,-0.3 0.741 102.2 56.8 -70.0 -29.8 16.1 12.8 -17.4 210 67 B V H X S+ 0 0 41 -4,-1.3 4,-1.3 -3,-0.3 -2,-0.2 0.929 111.5 45.3 -66.4 -38.7 14.3 11.6 -14.2 211 68 B L H X S+ 0 0 1 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.905 109.7 51.9 -65.6 -47.0 17.5 12.7 -12.4 212 69 B H H X S+ 0 0 89 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.833 108.1 54.2 -58.6 -39.7 17.8 16.0 -14.2 213 70 B G H X S+ 0 0 18 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.850 107.0 51.4 -66.8 -29.5 14.1 16.6 -13.1 214 71 B L H >X S+ 0 0 13 -4,-1.3 4,-1.2 1,-0.2 3,-1.1 0.908 101.9 61.9 -70.7 -40.3 15.3 16.0 -9.5 215 72 B D H 3X S+ 0 0 33 -4,-2.1 4,-1.6 1,-0.3 3,-0.3 0.841 94.8 60.2 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-25.4 -3.7 13.7 -16.0 238 95 B K T 4 - 0 0 92 -2,-0.5 3,-1.4 1,-0.2 4,-0.3 -0.380 23.5-127.1 -57.0 136.3 -0.8 5.6 -10.0 243 100 B P T >> S+ 0 0 62 0, 0.0 4,-1.2 0, 0.0 3,-0.8 0.658 104.2 73.4 -54.3 -22.2 1.0 7.7 -7.4 244 101 B D H 3> S+ 0 0 116 1,-0.3 4,-1.3 2,-0.2 3,-0.4 0.917 89.3 63.1 -62.8 -35.6 2.3 4.6 -5.6 245 102 B N H <> S+ 0 0 20 -3,-1.4 4,-2.4 1,-0.3 -1,-0.3 0.740 92.6 59.4 -58.2 -35.0 4.6 4.2 -8.6 246 103 B F H <> S+ 0 0 19 -3,-0.8 4,-2.6 -4,-0.3 -1,-0.3 0.903 106.5 49.8 -61.8 -45.8 6.4 7.5 -7.8 247 104 B K H X S+ 0 0 92 -4,-1.2 4,-1.7 -3,-0.4 -2,-0.2 0.809 108.8 52.8 -61.2 -29.1 7.3 5.9 -4.4 248 105 B L H X S+ 0 0 30 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.945 108.8 48.5 -72.1 -45.0 8.6 2.8 -6.2 249 106 B L H X S+ 0 0 35 -4,-2.4 4,-1.5 1,-0.2 3,-0.4 0.944 110.2 53.2 -63.4 -45.7 10.9 4.8 -8.5 250 107 B S H X S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.829 103.8 54.2 -50.1 -46.7 12.2 6.7 -5.5 251 108 B D H X S+ 0 0 15 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.858 107.5 52.6 -63.0 -30.3 13.1 3.5 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G G >< S- 0 0 17 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 -0.231 70.1 -7.1 59.6-138.1 28.7 2.6 0.3 263 120 B H G 3 S+ 0 0 127 1,-0.2 -1,-0.2 -151,-0.2 -2,-0.1 0.650 125.3 73.6 -71.2 -10.4 29.3 3.6 4.0 264 121 B A G < S+ 0 0 61 -3,-1.6 2,-2.5 1,-0.2 -1,-0.2 0.752 75.5 85.4 -73.0 -25.8 29.1 7.3 3.3 265 122 B F S < S- 0 0 0 -3,-1.1 -1,-0.2 -4,-0.3 -3,-0.1 -0.373 75.6-176.4 -77.9 72.7 25.4 6.9 2.8 266 123 B T > - 0 0 61 -2,-2.5 4,-3.9 1,-0.1 5,-0.3 -0.019 43.9-102.8 -70.1 166.5 24.7 7.3 6.5 267 124 B A H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.936 126.4 48.6 -58.9 -41.8 21.4 7.0 8.3 268 125 B E H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.967 111.7 47.1 -67.2 -46.4 21.5 10.9 8.5 269 126 B T H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 112.2 51.9 -60.8 -39.3 22.3 11.2 4.8 270 127 B Q H X S+ 0 0 0 -4,-3.9 4,-2.4 1,-0.2 5,-0.3 0.903 109.4 50.8 -61.3 -42.0 19.5 8.6 4.1 271 128 B G H X S+ 0 0 22 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.938 109.5 47.6 -60.0 -49.8 17.0 10.6 6.2 272 129 B A H X S+ 0 0 6 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4,-3.1 1,-0.2 3,-0.4 0.891 107.5 51.0 -59.5 -45.4 3.9 14.8 -3.0 283 140 B A H < S+ 0 0 4 -4,-1.8 -51,-0.3 1,-0.2 4,-0.3 0.723 105.2 53.6 -66.9 -25.3 4.3 17.4 -5.9 284 141 B L H < S+ 0 0 22 -4,-1.0 -48,-0.3 -3,-0.4 -1,-0.2 0.778 127.0 24.1 -80.7 -21.9 4.1 14.8 -8.8 285 142 B G H >< S+ 0 0 8 -4,-1.0 3,-4.3 -3,-0.4 2,-0.2 0.869 93.0 103.8 -93.9 -61.0 0.7 13.6 -7.4 286 143 B K T 3< S+ 0 0 69 -4,-3.1 -3,-0.1 1,-0.3 -2,-0.1 0.236 80.1 48.5 8.3 -58.0 -0.5 16.6 -5.3 287 144 B Q T 3 S+ 0 0 57 -4,-0.3 2,-0.7 -2,-0.2 -1,-0.3 0.587 99.4 72.2 -78.2 -19.7 -3.2 17.9 -7.7 288 145 B Y < 0 0 105 -3,-4.3 -1,-0.1 1,-0.2 -4,-0.0 -0.925 360.0 360.0-115.4 122.4 -4.9 14.6 -8.3 289 146 B H 0 0 227 -2,-0.7 -1,-0.2 0, 0.0 -2,-0.1 0.192 360.0 360.0-177.4 360.0 -6.9 13.3 -5.4