==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 02-JUL-12 4FWZ . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; . AUTHOR Y.-G.GAO,H.ROBINSON,I.D.PETRIK,K.D.MINER,Y.LU . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8483.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 81.7 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 . 5 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 0 1 0 0 0 0 0 0 1 1 1 0 0 1 1 0 0 0 0 1 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 V 0 0 177 0, 0.0 2,-0.3 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 139.6 12.1 31.6 -11.8 2 2 A L - 0 0 16 77,-0.1 128,-0.0 1,-0.1 2,-0.0 -0.650 360.0-119.8 -91.1 142.8 15.8 30.8 -12.1 3 3 A S > - 0 0 75 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.231 27.2-111.6 -65.9 160.9 17.9 31.3 -15.3 4 4 A E H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.945 121.1 52.3 -56.8 -45.6 19.6 28.4 -16.9 5 5 A G H > S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.848 108.2 48.5 -61.2 -40.2 22.9 30.1 -15.8 6 6 A E H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 109.0 52.6 -67.8 -43.6 21.8 30.4 -12.2 7 7 A W H X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.927 108.3 53.2 -58.4 -40.2 20.7 26.8 -12.0 8 8 A Q H X S+ 0 0 127 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.905 107.6 49.5 -60.5 -41.3 24.1 25.9 -13.3 9 9 A L H X S+ 0 0 55 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.925 111.2 49.7 -64.0 -41.7 25.9 27.8 -10.6 10 10 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.950 114.7 43.3 -57.4 -52.4 23.7 26.2 -7.9 11 11 A L H X S+ 0 0 54 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.775 109.1 60.3 -70.1 -23.3 24.5 22.7 -9.3 12 12 A H H X S+ 0 0 81 -4,-1.8 4,-0.7 -5,-0.3 -1,-0.2 0.967 110.4 39.5 -67.0 -48.4 28.1 23.7 -9.7 13 13 A V H >X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 3,-1.0 0.867 109.9 59.4 -70.8 -32.5 28.4 24.4 -6.0 14 14 A W H 3X S+ 0 0 6 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.885 97.0 61.8 -61.9 -34.3 26.4 21.4 -5.0 15 15 A A H 3< S+ 0 0 58 -4,-1.4 -1,-0.3 1,-0.2 4,-0.2 0.800 105.3 47.6 -60.6 -28.4 28.8 19.2 -6.8 16 16 A K H X< S+ 0 0 80 -3,-1.0 3,-1.3 -4,-0.7 4,-0.3 0.861 107.4 55.3 -77.5 -36.3 31.4 20.5 -4.3 17 17 A V H >< S+ 0 0 1 -4,-1.8 3,-1.9 1,-0.3 7,-0.3 0.913 101.0 60.4 -55.3 -43.8 29.0 19.8 -1.4 18 18 A E G >< S+ 0 0 90 -4,-2.4 3,-0.5 1,-0.3 -1,-0.3 0.541 85.1 75.8 -68.2 -12.1 28.7 16.2 -2.5 19 19 A A G < S+ 0 0 90 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.664 121.1 8.3 -74.3 -14.3 32.5 15.6 -2.1 20 20 A D G <> S+ 0 0 67 -3,-1.9 4,-1.8 -4,-0.3 -1,-0.3 -0.332 71.7 165.5-158.1 70.3 31.8 15.5 1.7 21 21 A V H <> S+ 0 0 31 -3,-0.5 4,-2.4 1,-0.2 5,-0.1 0.914 78.4 55.5 -56.9 -42.2 28.1 15.5 2.4 22 22 A A H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.865 106.7 46.6 -57.6 -50.0 28.7 14.4 5.9 23 23 A G H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.888 113.0 49.4 -64.6 -41.9 31.0 17.2 6.9 24 24 A H H X S+ 0 0 4 -4,-1.8 4,-2.3 -7,-0.3 -2,-0.2 0.901 108.9 55.0 -64.2 -39.5 28.8 19.9 5.4 25 25 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.933 109.8 44.1 -56.5 -53.2 25.8 18.4 7.2 26 26 A Q H X S+ 0 0 28 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.874 114.7 49.4 -56.5 -46.0 27.5 18.6 10.7 27 27 A D H X S+ 0 0 51 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.887 111.2 48.1 -66.9 -38.5 28.7 22.1 10.1 28 28 A I H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.938 115.8 44.1 -70.6 -44.1 25.4 23.4 8.9 29 29 A H H X S+ 0 0 5 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.851 111.6 53.2 -64.8 -38.7 23.5 21.9 11.8 30 30 A I H X S+ 0 0 12 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.938 111.6 46.5 -65.6 -42.1 26.1 23.0 14.3 31 31 A R H X S+ 0 0 93 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.916 113.4 49.7 -56.0 -51.7 25.8 26.6 12.9 32 32 A L H X S+ 0 0 7 -4,-2.6 4,-2.1 1,-0.2 7,-0.3 0.942 112.0 46.2 -59.2 -48.8 22.0 26.3 13.1 33 33 A F H < S+ 0 0 9 -4,-3.1 7,-0.2 1,-0.2 -1,-0.2 0.871 118.4 42.0 -64.8 -38.2 21.9 25.0 16.7 34 34 A K H < S+ 0 0 161 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.894 116.8 46.9 -76.9 -37.1 24.4 27.6 17.9 35 35 A S H < S+ 0 0 47 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.781 131.0 17.5 -75.9 -32.4 22.9 30.5 16.0 36 36 A H S >< S- 0 0 36 -4,-2.1 3,-2.0 -5,-0.3 4,-0.3 -0.724 70.3-173.5-143.7 84.7 19.2 29.8 16.9 37 37 A P G >> S+ 0 0 81 0, 0.0 3,-0.9 0, 0.0 4,-0.7 0.674 76.8 73.4 -58.4 -24.8 19.1 27.5 19.9 38 38 A E G 34 S+ 0 0 73 1,-0.2 4,-0.3 2,-0.2 3,-0.2 0.739 89.3 65.9 -64.6 -17.1 15.3 27.0 19.8 39 39 A T G X4 S+ 0 0 8 -3,-2.0 3,-1.3 -7,-0.3 4,-0.5 0.825 90.1 60.1 -68.6 -38.8 16.0 24.8 16.7 40 40 A L G X4 S+ 0 0 27 -3,-0.9 3,-1.1 -4,-0.3 6,-0.3 0.818 93.7 68.3 -64.3 -23.1 17.9 22.2 18.7 41 41 A E G 3< S+ 0 0 133 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.744 87.0 64.4 -71.4 -19.5 14.7 21.6 20.7 42 42 A K G < S+ 0 0 94 -3,-1.3 2,-0.9 -4,-0.3 -1,-0.3 0.726 94.0 69.2 -72.4 -20.8 12.8 20.1 17.8 43 43 A H X> - 0 0 49 -3,-1.1 4,-1.6 -4,-0.5 3,-1.1 -0.822 63.3-176.8-101.2 96.5 15.3 17.3 17.8 44 44 A D T 34 S+ 0 0 127 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.814 83.3 52.5 -64.3 -27.4 14.6 15.3 21.0 45 45 A R T 34 S+ 0 0 154 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.572 115.0 38.7 -87.2 -7.8 17.6 13.0 20.2 46 46 A F T X4 S+ 0 0 2 -3,-1.1 2,-2.2 -6,-0.3 3,-1.9 0.629 85.4 97.4-110.0 -19.9 20.2 15.8 19.8 47 47 A K T 3< S+ 0 0 100 -4,-1.6 -1,-0.1 1,-0.3 -3,-0.1 -0.059 82.1 52.9 -72.4 38.9 19.1 18.2 22.5 48 48 A H T 3 S+ 0 0 115 -2,-2.2 2,-0.4 -3,-0.1 -1,-0.3 0.417 72.8 109.8-140.4 -24.6 21.6 16.9 25.0 49 49 A L < - 0 0 12 -3,-1.9 6,-0.0 1,-0.2 -3,-0.0 -0.426 47.2-176.2 -55.2 111.5 24.8 17.2 23.0 50 50 A K + 0 0 167 -2,-0.4 2,-0.2 -3,-0.0 -1,-0.2 0.857 51.6 45.7 -86.6 -36.6 26.4 20.1 24.8 51 51 A T S > S- 0 0 76 1,-0.1 4,-2.7 0, 0.0 5,-0.1 -0.673 76.8-117.7-117.6 161.3 29.6 20.9 22.8 52 52 A E H > S+ 0 0 101 1,-0.2 4,-3.2 -2,-0.2 5,-0.2 0.955 119.3 49.3 -57.9 -46.3 30.6 21.3 19.2 53 53 A A H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 109.8 50.5 -62.2 -37.0 32.9 18.4 19.5 54 54 A E H > S+ 0 0 103 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.929 111.8 49.5 -65.7 -40.7 30.1 16.3 21.0 55 55 A M H >< S+ 0 0 15 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.946 111.5 48.2 -57.0 -50.3 28.0 17.4 18.1 56 56 A K H 3< S+ 0 0 73 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.772 112.1 48.7 -65.4 -30.5 30.7 16.4 15.6 57 57 A A H 3< S+ 0 0 63 -4,-1.9 2,-0.7 -5,-0.2 -1,-0.2 0.628 84.2 104.1 -87.9 -12.0 31.3 13.0 17.2 58 58 A S S+ 0 0 121 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.859 86.6 61.3 -74.9 -26.4 27.0 9.6 14.5 60 60 A D H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.955 108.8 42.3 -56.5 -51.2 23.3 10.0 14.9 61 61 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.882 112.1 56.1 -62.4 -42.4 23.6 13.7 14.0 62 62 A K H X S+ 0 0 55 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.963 110.2 43.0 -53.7 -57.7 26.1 12.9 11.3 63 63 A K H X S+ 0 0 121 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.904 110.9 56.1 -58.7 -43.4 23.8 10.5 9.5 64 64 A H H X S+ 0 0 54 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.942 104.1 54.9 -54.5 -49.3 20.9 12.9 9.9 65 65 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.896 107.6 48.4 -47.8 -48.5 22.9 15.6 8.2 66 66 A V H X S+ 0 0 49 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.905 109.9 52.8 -65.0 -36.7 23.4 13.4 5.1 67 67 A T H X S+ 0 0 92 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.878 111.3 46.4 -65.3 -37.0 19.7 12.5 5.0 68 68 A V H X S+ 0 0 45 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.892 114.8 44.6 -70.1 -43.4 18.8 16.2 5.0 69 69 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.742 109.4 56.6 -78.6 -25.9 21.3 17.3 2.4 70 70 A T H X S+ 0 0 85 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.888 108.7 47.1 -70.3 -40.5 20.5 14.4 0.1 71 71 A A H X S+ 0 0 36 -4,-1.3 4,-1.6 -5,-0.2 -2,-0.2 0.922 114.2 47.1 -64.3 -43.2 16.8 15.4 0.1 72 72 A L H X S+ 0 0 14 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.931 109.9 53.5 -65.6 -43.6 17.7 19.0 -0.6 73 73 A G H X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.794 105.9 52.7 -61.5 -31.7 20.2 18.0 -3.4 74 74 A A H X S+ 0 0 50 -4,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.893 111.4 47.6 -73.3 -34.8 17.5 15.9 -5.1 75 75 A I H ><>S+ 0 0 4 -4,-1.6 3,-0.9 2,-0.2 5,-0.7 0.914 110.3 50.6 -66.5 -48.9 15.2 19.0 -5.1 76 76 A L H ><5S+ 0 0 4 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.913 104.8 57.6 -61.0 -37.9 17.9 21.4 -6.4 77 77 A K H 3<5S+ 0 0 105 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.814 94.5 66.2 -65.9 -20.7 18.7 19.0 -9.3 78 78 A K T X<5S- 0 0 69 -3,-0.9 3,-2.2 -4,-0.7 -1,-0.3 0.543 100.8-137.3 -72.7 -4.6 15.0 19.2 -10.4 79 79 A K T < 5S- 0 0 87 -3,-2.1 -3,-0.1 1,-0.3 -2,-0.1 0.892 72.6 -42.9 43.2 50.4 15.7 22.9 -11.2 80 80 A G T 3 + 0 0 6 -2,-1.7 4,-1.3 1,-0.2 3,-0.3 0.059 12.8 121.5-117.0 23.1 10.3 19.5 -7.7 83 83 A E H >> S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 3,-0.7 0.934 74.2 53.4 -51.0 -53.9 6.6 18.8 -6.8 84 84 A A H 34 S+ 0 0 65 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.811 116.9 32.6 -63.0 -32.3 7.1 15.1 -6.3 85 85 A E H 34 S+ 0 0 111 -3,-0.3 4,-0.4 1,-0.1 -1,-0.2 0.599 113.2 61.0-110.2 9.1 9.9 15.1 -3.8 86 86 A L H S+ 0 0 47 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.888 112.7 53.3 -64.8 -32.6 6.7 14.2 1.4 89 89 A L H > S+ 0 0 39 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.929 110.6 45.3 -61.5 -49.6 9.0 16.7 3.0 90 90 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.4 0.875 112.4 51.7 -66.7 -32.9 6.2 19.2 3.5 91 91 A Q H X>S+ 0 0 111 -4,-2.3 4,-1.6 -5,-0.2 5,-0.5 0.920 114.2 42.1 -74.0 -37.4 3.9 16.5 4.9 92 92 A S H X>S+ 0 0 38 -4,-2.2 5,-2.3 -5,-0.2 4,-1.9 0.954 120.4 42.7 -63.5 -49.4 6.4 15.2 7.4 93 93 A H H <5S+ 0 0 51 -4,-2.5 6,-2.4 -5,-0.2 5,-0.5 0.749 119.7 40.7 -77.9 -25.7 7.5 18.7 8.4 94 94 A A H <5S+ 0 0 9 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.2 0.887 127.6 27.0 -86.5 -42.9 4.1 20.3 8.6 95 95 A T H <5S+ 0 0 80 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.2 0.807 132.9 23.9 -92.1 -28.4 2.1 17.5 10.2 96 96 A K T <> - 0 0 20 0, 0.0 4,-1.3 0, 0.0 3,-0.9 -0.227 23.0-114.0 -60.1 153.6 7.8 26.7 10.9 101 101 A I H 3> S+ 0 0 24 52,-2.2 4,-2.1 1,-0.2 5,-0.1 0.844 115.8 65.9 -63.9 -24.4 9.0 28.3 7.7 102 102 A K H 3> S+ 0 0 109 51,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.855 97.3 53.1 -66.2 -32.4 11.2 30.6 9.8 103 103 A Y H <> S+ 0 0 46 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.837 106.0 54.8 -67.8 -32.6 13.2 27.6 10.9 104 104 A L H X S+ 0 0 17 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.891 106.8 49.8 -68.3 -38.1 13.6 26.8 7.2 105 105 A E H X S+ 0 0 88 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.967 108.4 54.5 -58.2 -48.2 15.0 30.3 6.7 106 106 A F H X S+ 0 0 36 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.916 110.6 43.4 -53.7 -45.1 17.4 29.7 9.6 107 107 A I H X S+ 0 0 33 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.827 108.9 59.5 -75.2 -22.6 18.8 26.5 8.0 108 108 A S H X S+ 0 0 6 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.903 106.6 48.0 -63.6 -43.0 18.9 28.4 4.7 109 109 A E H X S+ 0 0 109 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.920 110.1 51.0 -60.4 -48.4 21.3 30.9 6.3 110 110 A A H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.876 108.4 53.4 -60.0 -39.5 23.4 28.1 7.8 111 111 A I H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.904 110.5 45.0 -63.3 -44.4 23.7 26.5 4.4 112 112 A I H X S+ 0 0 27 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.918 112.7 51.9 -70.7 -37.9 25.0 29.6 2.7 113 113 A H H X S+ 0 0 74 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.968 112.7 44.0 -55.8 -55.7 27.4 30.4 5.5 114 114 A V H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.922 112.5 53.1 -60.1 -44.0 28.9 26.9 5.4 115 115 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.897 112.1 44.6 -57.2 -41.5 29.1 26.9 1.6 116 116 A H H < S+ 0 0 85 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.889 112.5 52.4 -75.0 -34.7 30.9 30.3 1.6 117 117 A S H < S+ 0 0 73 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.856 118.7 35.4 -66.1 -36.3 33.2 29.2 4.4 118 118 A R H < S+ 0 0 93 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.776 130.9 23.6 -92.3 -22.5 34.2 26.0 2.6 119 119 A H >< + 0 0 28 -4,-2.1 3,-1.9 -5,-0.2 4,-0.5 -0.309 60.6 152.2-139.4 58.6 34.2 27.1 -1.1 120 120 A P G > S+ 0 0 74 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.859 76.7 57.3 -61.8 -36.8 34.7 30.8 -1.5 121 121 A G G 3 S+ 0 0 74 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.570 117.5 34.8 -71.1 -7.0 36.4 30.5 -5.0 122 122 A D G < S+ 0 0 56 -3,-1.9 -1,-0.2 1,-0.1 -106,-0.1 0.267 115.2 58.8-122.5 6.3 33.2 28.7 -6.2 123 123 A F S < S+ 0 0 0 -3,-1.0 -2,-0.1 -4,-0.5 -1,-0.1 -0.409 70.1 142.0-137.7 56.1 30.7 30.6 -4.1 124 124 A G S > S- 0 0 37 -3,-0.1 4,-3.0 4,-0.0 5,-0.3 0.008 70.7 -65.0 -82.0-168.1 31.1 34.3 -5.1 125 125 A A H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.876 133.5 44.6 -51.1 -49.3 28.3 37.0 -5.5 126 126 A D H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 115.9 46.7 -64.3 -45.8 26.6 35.3 -8.5 127 127 A A H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.891 113.4 47.9 -66.3 -42.3 26.7 31.8 -7.0 128 128 A Q H X S+ 0 0 63 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.932 112.7 49.3 -66.5 -41.0 25.4 33.0 -3.6 129 129 A G H X S+ 0 0 32 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.902 112.1 49.0 -62.2 -38.3 22.6 34.9 -5.2 130 130 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.952 112.8 45.8 -66.1 -50.2 21.7 31.9 -7.3 131 131 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.855 111.6 54.1 -58.4 -36.9 21.7 29.5 -4.3 132 132 A N H X S+ 0 0 66 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.904 108.6 47.5 -67.4 -39.3 19.7 32.0 -2.4 133 133 A K H X S+ 0 0 95 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.903 111.6 52.4 -65.9 -42.2 17.1 32.2 -5.1 134 134 A A H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.925 112.3 43.2 -58.8 -46.4 17.1 28.4 -5.2 135 135 A L H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.820 112.6 53.5 -75.4 -26.0 16.5 28.1 -1.5 136 136 A E H X S+ 0 0 87 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.915 108.0 50.1 -72.5 -39.8 13.9 30.8 -1.5 137 137 A L H X S+ 0 0 35 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.963 110.2 51.6 -58.6 -47.8 12.0 29.1 -4.3 138 138 A F H X S+ 0 0 20 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.927 110.0 48.4 -54.2 -45.7 12.1 25.9 -2.2 139 139 A R H X S+ 0 0 38 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.888 110.3 51.0 -68.8 -31.2 10.7 27.7 0.9 140 140 A K H X S+ 0 0 130 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.966 112.1 45.8 -64.7 -54.8 7.9 29.3 -1.1 141 141 A D H X S+ 0 0 43 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.894 113.4 49.8 -56.9 -44.1 6.7 26.1 -2.6 142 142 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.922 106.8 55.0 -67.2 -36.6 6.9 24.3 0.7 143 143 A A H X S+ 0 0 21 -4,-2.3 4,-2.1 1,-0.2 10,-0.4 0.918 109.2 48.5 -60.7 -37.1 4.9 27.0 2.5 144 144 A A H X S+ 0 0 47 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.878 111.7 48.6 -67.0 -35.6 2.2 26.5 -0.1 145 145 A K H X S+ 0 0 35 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.819 107.9 56.3 -74.0 -28.1 2.3 22.8 0.4 146 146 A Y H >< S+ 0 0 4 -4,-2.4 3,-0.6 -5,-0.2 4,-0.2 0.948 107.4 47.9 -64.4 -46.3 2.1 23.4 4.2 147 147 A K H >< S+ 0 0 114 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.898 103.9 60.5 -61.5 -40.4 -1.1 25.3 3.8 148 148 A E H 3< S+ 0 0 145 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.824 110.7 42.0 -59.3 -30.3 -2.6 22.6 1.6 149 149 A L T << S- 0 0 74 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.354 124.5-102.5 -94.7 5.5 -2.2 20.2 4.5 150 150 A G S < S+ 0 0 30 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.1 -0.222 84.2 79.1 97.3 165.6 -3.4 22.8 7.1 151 151 A Y S S- 0 0 164 1,-0.1 2,-0.6 -4,-0.1 -2,-0.2 0.694 79.3-107.1 58.6 121.3 -1.5 24.9 9.7 152 152 A Q 0 0 124 1,-0.2 -1,-0.1 -3,-0.1 -51,-0.1 -0.752 360.0 360.0 -98.8 120.1 0.1 28.0 8.1 153 153 A G 0 0 47 -2,-0.6 -52,-2.2 -10,-0.4 -51,-0.5 0.597 360.0 360.0 27.1 360.0 3.8 28.2 7.6