==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 14-SEP-94 1GDK . COMPND 2 MOLECULE: LEGHEMOGLOBIN (ISOQUINOLINE MET); . SOURCE 2 ORGANISM_SCIENTIFIC: LUPINUS LUTEUS; . AUTHOR E.HARUTYUNYAN,T.SAFONOVA,I.KURANOVA . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 81.0 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 . 3 2.0 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 . 98 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 0 0 0 0 1 0 0 2 1 0 0 0 0 0 0 0 1 1 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 G 0 0 74 0, 0.0 6,-0.1 0, 0.0 132,-0.1 0.000 360.0 360.0 360.0 -59.1 52.4 -30.1 47.9 2 2 A A - 0 0 76 1,-0.2 80,-0.1 5,-0.0 131,-0.1 0.808 360.0 -64.0 54.3 31.4 49.5 -27.7 47.6 3 3 A L - 0 0 9 1,-0.1 2,-0.2 4,-0.0 -1,-0.2 1.000 56.0-160.1 41.7 106.9 52.1 -25.6 45.7 4 4 A T >> - 0 0 67 1,-0.1 4,-1.8 0, 0.0 3,-0.8 -0.660 43.0 -98.7 -83.3 152.4 55.1 -24.3 47.3 5 5 A E H 3> S+ 0 0 149 1,-0.3 4,-1.2 -2,-0.2 -1,-0.1 0.713 126.0 53.4 -50.2 -31.3 56.8 -21.4 45.4 6 6 A S H 3> S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.889 107.1 49.2 -77.0 -35.7 59.3 -23.9 44.0 7 7 A Q H <> S+ 0 0 5 -3,-0.8 4,-1.8 1,-0.2 -2,-0.2 0.842 112.7 49.7 -66.8 -36.5 56.6 -26.3 42.6 8 8 A A H X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.814 109.8 50.5 -69.1 -36.2 54.9 -23.2 41.1 9 9 A A H X S+ 0 0 55 -4,-1.2 4,-2.1 -5,-0.2 -2,-0.2 0.867 111.0 49.3 -69.6 -41.2 58.3 -22.1 39.5 10 10 A L H X S+ 0 0 62 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.835 111.4 47.8 -66.4 -45.1 58.7 -25.5 38.1 11 11 A V H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.880 111.1 52.0 -67.0 -41.8 55.2 -25.5 36.6 12 12 A K H X S+ 0 0 96 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.920 110.4 49.6 -59.3 -39.7 55.7 -22.0 35.1 13 13 A S H X S+ 0 0 66 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.820 110.0 46.6 -64.5 -51.9 59.0 -23.2 33.5 14 14 A S H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.651 109.1 59.2 -66.0 -24.2 57.6 -26.4 31.8 15 15 A W H X S+ 0 0 40 -4,-1.2 4,-3.1 2,-0.2 -2,-0.2 0.915 104.7 47.7 -75.0 -38.2 54.7 -24.3 30.6 16 16 A E H X S+ 0 0 92 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.917 112.3 48.3 -71.3 -36.1 56.9 -21.8 28.7 17 17 A E H >< S+ 0 0 55 -4,-1.5 3,-0.7 2,-0.2 -1,-0.2 0.909 112.2 51.6 -69.2 -34.3 58.8 -24.8 27.1 18 18 A F H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 7,-0.3 0.944 111.8 46.6 -54.4 -53.5 55.3 -26.1 26.4 19 19 A N H 3< S+ 0 0 80 -4,-3.1 3,-0.5 1,-0.3 -1,-0.2 0.562 93.6 77.5 -74.2 -8.0 54.4 -22.8 24.8 20 20 A A T << S+ 0 0 82 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.503 109.8 25.1 -80.9 -12.9 57.7 -22.6 22.8 21 21 A N S <> S+ 0 0 56 -3,-1.5 4,-2.0 -4,-0.2 -1,-0.3 -0.462 70.5 165.8-146.3 82.7 56.3 -25.1 20.2 22 22 A I H > S+ 0 0 37 -3,-0.5 4,-3.0 1,-0.2 5,-0.4 0.956 73.7 51.8 -66.4 -51.9 52.4 -25.0 20.2 23 23 A P H > S+ 0 0 46 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.796 116.9 40.2 -51.9 -40.5 51.7 -26.9 17.0 24 24 A K H > S+ 0 0 121 2,-0.2 4,-2.5 3,-0.1 -2,-0.2 0.942 118.3 42.6 -71.7 -57.9 53.9 -29.8 17.9 25 25 A H H X S+ 0 0 24 -4,-2.0 4,-2.4 -7,-0.3 -3,-0.2 0.807 115.9 49.2 -63.7 -39.8 53.1 -30.1 21.6 26 26 A T H X S+ 0 0 0 -4,-3.0 4,-1.7 -5,-0.2 -1,-0.2 0.820 111.2 49.4 -70.7 -29.8 49.4 -29.6 21.1 27 27 A H H X S+ 0 0 39 -4,-0.8 4,-1.7 -5,-0.4 -2,-0.2 0.939 113.0 48.6 -72.8 -43.0 49.3 -32.2 18.2 28 28 A R H X S+ 0 0 83 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.917 107.0 56.6 -62.4 -42.3 51.2 -34.6 20.6 29 29 A F H X S+ 0 0 7 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.877 109.5 44.0 -56.4 -43.6 48.7 -33.9 23.4 30 30 A F H X S+ 0 0 8 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.847 109.6 55.9 -72.1 -37.9 45.7 -35.0 21.3 31 31 A I H X S+ 0 0 39 -4,-1.7 4,-1.7 1,-0.2 3,-0.3 0.913 109.8 47.9 -59.4 -48.5 47.6 -38.1 20.0 32 32 A L H X S+ 0 0 3 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.814 107.5 54.5 -60.3 -44.5 48.1 -39.0 23.7 33 33 A V H X S+ 0 0 3 -4,-1.9 4,-1.8 1,-0.2 3,-0.4 0.856 111.1 46.0 -54.8 -45.7 44.4 -38.4 24.5 34 34 A L H < S+ 0 0 34 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.805 107.7 56.1 -75.0 -25.6 43.3 -40.8 21.7 35 35 A E H < S+ 0 0 125 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.713 112.1 43.3 -75.2 -27.5 45.8 -43.5 22.7 36 36 A I H < S+ 0 0 63 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.771 136.3 10.1 -82.8 -40.3 44.4 -43.5 26.2 37 37 A A >< - 0 0 26 -4,-1.8 3,-2.0 -5,-0.2 4,-0.2 -0.646 63.5-176.0-148.5 82.3 40.8 -43.4 25.2 38 38 A P G > S+ 0 0 94 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.831 83.0 63.7 -37.8 -45.6 40.1 -43.9 21.5 39 39 A A G 3 S+ 0 0 73 1,-0.3 3,-0.5 2,-0.1 4,-0.1 0.525 84.2 77.7 -65.4 -9.8 36.4 -43.3 21.9 40 40 A A G X> S+ 0 0 7 -3,-2.0 3,-1.5 1,-0.2 4,-0.5 0.652 72.1 83.2 -77.0 -17.4 37.1 -39.8 23.0 41 41 A K G X4 S+ 0 0 37 -3,-1.7 3,-1.5 1,-0.3 7,-0.8 0.873 81.5 62.1 -48.7 -49.6 37.7 -38.8 19.4 42 42 A D G 34 S+ 0 0 103 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.636 94.1 59.0 -54.5 -29.5 33.9 -38.4 18.8 43 43 A L G <4 S+ 0 0 58 -3,-1.5 2,-0.5 -4,-0.1 -1,-0.3 0.680 89.4 86.7 -85.2 -16.0 33.4 -35.6 21.3 44 44 A F XX - 0 0 64 -3,-1.5 4,-1.8 -4,-0.5 3,-1.3 -0.778 67.3-154.1 -86.7 123.3 35.9 -33.4 19.4 45 45 A S T 34 S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.1 0.609 95.9 41.6 -68.6 -19.1 34.4 -31.3 16.5 46 46 A F T 34 S+ 0 0 24 -5,-0.1 -1,-0.3 11,-0.0 14,-0.1 0.246 115.0 48.7-115.1 8.7 37.7 -31.2 14.7 47 47 A L T X4 S+ 0 0 2 -3,-1.3 3,-2.0 -6,-0.3 -2,-0.2 0.697 89.1 81.0-108.6 -61.0 38.9 -34.8 15.3 48 48 A K T 3< S+ 0 0 112 -4,-1.8 3,-0.1 -7,-0.8 -6,-0.0 -0.101 90.6 38.6 -48.6 152.5 35.9 -37.0 14.3 49 49 A G T 3 S+ 0 0 88 1,-0.3 -1,-0.2 2,-0.1 2,-0.2 0.113 104.0 96.3 90.1 -22.6 35.7 -37.5 10.6 50 50 A T < - 0 0 59 -3,-2.0 -1,-0.3 1,-0.2 3,-0.1 -0.488 69.9-136.4 -97.3 168.0 39.5 -37.7 10.2 51 51 A S S S- 0 0 104 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.916 85.7 -4.9 -74.1 -85.0 42.2 -40.4 10.1 52 52 A E S S- 0 0 131 1,-0.1 -1,-0.2 0, 0.0 -2,-0.0 -0.184 94.7 -67.3-104.2 179.3 44.8 -38.9 12.4 53 53 A V - 0 0 3 -2,-0.1 -1,-0.1 1,-0.1 -6,-0.1 -0.694 52.0-117.0 -78.9 122.2 45.2 -35.6 14.3 54 54 A P - 0 0 35 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.239 19.6-155.7 -52.4 146.5 45.7 -32.6 12.1 55 55 A Q S S+ 0 0 112 1,-0.1 -28,-0.2 5,-0.0 -29,-0.1 0.764 85.5 34.0 -97.5 -32.4 49.1 -30.9 12.7 56 56 A N S S+ 0 0 129 -29,-0.0 -1,-0.1 -32,-0.0 -32,-0.0 -0.266 78.9 137.3-121.5 49.3 48.4 -27.3 11.6 57 57 A N > - 0 0 50 -3,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.840 42.6-153.1-103.8 116.2 44.8 -26.8 12.7 58 58 A P H > S+ 0 0 96 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.707 92.0 48.8 -53.7 -39.8 44.2 -23.4 14.3 59 59 A E H > S+ 0 0 90 2,-0.2 4,-3.0 3,-0.2 5,-0.3 0.943 112.5 49.4 -73.5 -40.5 41.2 -24.4 16.5 60 60 A L H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.934 113.0 47.1 -57.5 -53.4 43.0 -27.5 17.8 61 61 A Q H X S+ 0 0 42 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.856 115.4 44.7 -60.9 -40.5 46.1 -25.4 18.6 62 62 A A H X S+ 0 0 46 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.938 115.5 46.9 -75.4 -43.1 44.1 -22.6 20.4 63 63 A H H X S+ 0 0 79 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.962 117.1 41.5 -65.7 -45.4 41.9 -25.0 22.4 64 64 A A H X S+ 0 0 1 -4,-3.0 4,-1.5 -5,-0.3 -2,-0.2 0.887 114.5 52.5 -76.6 -26.4 44.8 -27.3 23.6 65 65 A G H X S+ 0 0 15 -4,-1.8 4,-1.9 -5,-0.3 3,-0.2 0.964 110.2 49.3 -69.4 -41.3 47.0 -24.2 24.2 66 66 A K H X S+ 0 0 101 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.843 105.3 56.8 -67.9 -36.6 44.2 -22.8 26.4 67 67 A V H X S+ 0 0 54 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.850 110.3 43.8 -55.6 -49.7 43.7 -26.0 28.3 68 68 A F H X S+ 0 0 0 -4,-1.5 4,-1.9 -3,-0.2 -2,-0.2 0.845 110.8 56.1 -65.7 -37.0 47.3 -26.0 29.5 69 69 A K H X S+ 0 0 75 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.839 105.1 52.0 -64.1 -42.2 47.2 -22.2 30.2 70 70 A L H X S+ 0 0 31 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.890 110.0 47.9 -63.9 -45.7 44.3 -22.7 32.5 71 71 A V H X S+ 0 0 3 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.797 111.1 51.0 -67.0 -37.4 46.1 -25.4 34.5 72 72 A Y H X S+ 0 0 30 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.937 111.0 48.7 -66.3 -38.9 49.3 -23.3 34.8 73 73 A E H X S+ 0 0 87 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.907 109.4 52.2 -69.4 -31.9 47.2 -20.3 36.1 74 74 A A H X S+ 0 0 5 -4,-2.1 4,-3.0 1,-0.3 -1,-0.2 0.892 106.3 55.0 -67.7 -39.3 45.5 -22.6 38.6 75 75 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.3 0.888 110.8 43.9 -63.0 -35.3 48.9 -23.7 39.8 76 76 A I H X S+ 0 0 47 -4,-1.5 4,-2.2 2,-0.2 5,-0.3 0.899 112.9 52.7 -80.3 -32.1 49.9 -20.1 40.4 77 77 A Q H X>S+ 0 0 68 -4,-2.7 4,-3.4 1,-0.2 5,-0.9 0.931 107.8 50.7 -66.9 -40.1 46.6 -19.4 42.0 78 78 A L H X5S+ 0 0 13 -4,-3.0 4,-1.0 4,-0.2 -1,-0.2 0.908 113.0 46.5 -62.6 -42.7 47.0 -22.3 44.4 79 79 A E H <5S+ 0 0 65 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.972 121.7 34.9 -62.2 -55.1 50.4 -21.1 45.4 80 80 A V H <5S+ 0 0 103 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.845 135.1 19.1 -67.2 -50.5 49.4 -17.4 45.9 81 81 A T H <5S- 0 0 80 -4,-3.4 -3,-0.2 -5,-0.3 -1,-0.2 0.644 92.2-125.7-101.1 -31.8 45.9 -17.7 47.3 82 82 A G S <> - 0 0 75 -2,-0.7 4,-1.3 0, 0.0 3,-1.2 -0.582 55.4 -80.3-113.0 174.9 34.9 -17.0 38.3 88 88 A A H >> S+ 0 0 73 1,-0.3 4,-2.4 -2,-0.2 3,-1.1 0.859 123.2 55.7 -41.0 -67.2 32.7 -16.4 35.3 89 89 A T H 3> S+ 0 0 76 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.686 106.5 47.5 -33.1 -50.0 34.9 -18.2 32.8 90 90 A L H <> S+ 0 0 9 -3,-1.2 4,-0.8 2,-0.2 -1,-0.3 0.780 111.3 51.1 -76.7 -25.7 35.1 -21.5 34.7 91 91 A K H S+ 0 0 57 -4,-1.7 5,-2.4 -5,-0.2 -1,-0.3 0.881 110.8 50.3 -67.3 -29.0 31.4 -29.3 29.1 98 98 A V H ><5S+ 0 0 47 -4,-2.3 3,-1.6 -3,-0.3 -2,-0.2 0.921 109.6 54.0 -69.1 -35.0 27.9 -30.5 30.0 99 99 A S H 3<5S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.907 106.3 48.7 -59.3 -48.7 26.8 -29.5 26.5 100 100 A K T 3<5S- 0 0 129 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.276 122.2-103.4 -77.5 5.1 29.4 -31.5 24.7 101 101 A G T < 5 + 0 0 49 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.647 62.0 163.3 78.6 25.3 28.5 -34.6 26.8 102 102 A V < - 0 0 31 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.2 -0.617 15.5-167.9 -77.8 139.7 31.5 -34.6 29.2 103 103 A A >> - 0 0 47 -2,-0.4 3,-1.8 1,-0.0 4,-0.6 -0.711 36.2-104.7-119.7 167.1 31.3 -36.7 32.3 104 104 A D G >4 S+ 0 0 66 1,-0.3 3,-1.2 -2,-0.2 42,-0.1 0.838 116.5 61.5 -56.4 -40.3 33.4 -36.9 35.5 105 105 A A G 34 S+ 0 0 83 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.524 94.6 64.0 -69.0 -11.5 35.1 -40.2 34.4 106 106 A H G X> S+ 0 0 65 -3,-1.8 3,-2.1 1,-0.2 4,-0.9 0.838 83.9 77.3 -79.3 -28.8 36.5 -38.4 31.4 107 107 A F H S+ 0 0 75 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.625 101.8 61.0 -49.5 -43.8 41.3 -38.7 34.3 109 109 A V H <> S+ 0 0 24 -3,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.910 108.0 41.1 -54.9 -47.7 41.8 -39.2 30.6 110 110 A V H X S+ 0 0 41 -4,-0.9 4,-1.8 -3,-0.4 5,-0.2 0.795 110.5 59.6 -78.3 -30.9 42.9 -35.6 30.0 111 111 A K H X S+ 0 0 39 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.932 105.3 47.2 -59.2 -47.1 45.0 -35.6 33.1 112 112 A E H X S+ 0 0 88 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.879 111.1 51.9 -68.4 -25.4 47.2 -38.4 32.0 113 113 A A H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.855 110.5 47.4 -78.1 -37.7 47.7 -36.9 28.6 114 114 A I H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.935 113.8 48.9 -62.9 -46.4 48.7 -33.6 30.1 115 115 A L H X S+ 0 0 12 -4,-2.8 4,-2.1 1,-0.3 -2,-0.2 0.871 116.3 41.8 -62.0 -48.5 51.1 -35.5 32.4 116 116 A K H X S+ 0 0 73 -4,-2.5 4,-1.5 2,-0.2 -1,-0.3 0.768 111.6 55.7 -70.2 -35.5 52.6 -37.4 29.6 117 117 A T H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.940 110.6 45.3 -59.0 -45.1 52.7 -34.4 27.3 118 118 A I H X S+ 0 0 2 -4,-2.6 4,-3.0 1,-0.2 5,-0.4 0.909 106.5 59.7 -67.7 -41.0 54.8 -32.5 29.9 119 119 A K H X S+ 0 0 85 -4,-2.1 4,-1.4 1,-0.3 -1,-0.2 0.894 112.2 39.6 -54.7 -48.2 57.1 -35.4 30.5 120 120 A E H < S+ 0 0 99 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.826 112.7 55.4 -72.9 -35.8 58.1 -35.4 26.8 121 121 A V H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.907 114.8 38.9 -59.9 -50.6 58.2 -31.6 26.5 122 122 A V H >< S+ 0 0 9 -4,-3.0 3,-2.2 1,-0.2 -2,-0.2 0.697 85.0 177.3 -77.8 -17.6 60.7 -31.3 29.5 123 123 A G G >< S+ 0 0 41 -4,-1.4 3,-1.7 -5,-0.4 -1,-0.2 -0.299 71.8 7.5 54.1-126.3 62.7 -34.4 28.4 124 124 A A G 3 S+ 0 0 109 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.611 121.2 70.2 -66.0 -9.6 65.7 -34.8 30.9 125 125 A K G < S+ 0 0 138 -3,-2.2 -1,-0.3 -6,-0.1 -2,-0.2 0.574 72.7 124.4 -92.7 16.3 64.5 -32.0 33.2 126 126 A W < + 0 0 76 -3,-1.7 2,-0.3 -7,-0.2 -7,-0.0 -0.172 33.1 168.0 -77.4 137.3 61.6 -34.2 34.4 127 127 A S > - 0 0 42 1,-0.1 4,-1.5 0, 0.0 3,-0.2 -0.934 48.7-110.2-137.2 172.5 61.3 -34.8 38.1 128 128 A E H > S+ 0 0 163 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.816 117.2 60.5 -82.2 -17.0 58.6 -36.2 40.5 129 129 A E H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.786 104.2 47.5 -73.0 -39.0 58.1 -32.7 41.8 130 130 A L H > S+ 0 0 6 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.941 111.9 50.5 -68.2 -44.3 57.1 -31.4 38.5 131 131 A N H X S+ 0 0 49 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.854 113.0 46.8 -63.4 -40.8 54.7 -34.4 38.0 132 132 A S H X S+ 0 0 39 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.886 109.4 52.6 -78.1 -32.9 53.2 -33.7 41.5 133 133 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.977 114.0 43.0 -65.1 -44.9 52.8 -29.9 40.9 134 134 A W H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.865 111.3 55.7 -66.8 -39.7 50.9 -30.5 37.7 135 135 A T H X S+ 0 0 33 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.912 112.3 42.9 -56.2 -47.8 48.9 -33.3 39.2 136 136 A I H X S+ 0 0 35 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.891 112.7 51.3 -67.9 -46.0 47.7 -31.0 42.0 137 137 A A H X S+ 0 0 0 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.2 0.895 114.1 45.0 -62.4 -41.0 47.1 -28.1 39.6 138 138 A Y H X S+ 0 0 19 -4,-2.5 4,-3.1 -5,-0.2 3,-0.2 0.971 111.3 51.2 -66.8 -53.4 44.9 -30.3 37.4 139 139 A D H X S+ 0 0 57 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.799 111.8 46.8 -58.9 -28.5 43.0 -32.0 40.2 140 140 A E H X S+ 0 0 79 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.811 113.4 46.4 -83.9 -35.5 42.0 -28.7 41.9 141 141 A L H X S+ 0 0 12 -4,-1.6 4,-2.2 -3,-0.2 -2,-0.2 0.857 112.1 52.4 -74.3 -39.3 40.9 -27.0 38.7 142 142 A A H X S+ 0 0 7 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.770 104.0 57.0 -69.3 -28.4 38.9 -30.1 37.7 143 143 A I H X S+ 0 0 96 -4,-1.1 4,-0.9 -5,-0.2 -1,-0.2 0.952 110.4 45.0 -62.9 -39.7 37.2 -30.1 41.1 144 144 A V H >X S+ 0 0 10 -4,-1.2 4,-2.2 2,-0.2 3,-0.6 0.933 115.5 45.5 -66.7 -47.2 35.9 -26.6 40.3 145 145 A I H 3X S+ 0 0 16 -4,-2.2 4,-2.2 1,-0.3 3,-0.3 0.978 108.7 56.1 -64.0 -52.1 34.9 -27.5 36.7 146 146 A K H 3X S+ 0 0 62 -4,-2.7 4,-1.3 1,-0.3 -1,-0.3 0.737 108.7 51.2 -47.7 -29.3 33.2 -30.7 37.9 147 147 A K H X S+ 0 0 25 -4,-2.2 3,-3.6 -3,-0.3 4,-0.9 0.994 110.2 57.5 -63.6 -48.1 30.0 -25.9 37.6 149 149 A M H >X S+ 0 0 6 -4,-2.2 3,-1.2 1,-0.3 4,-0.6 0.785 104.9 47.9 -38.7 -55.7 29.1 -28.9 35.4 150 150 A D H 3< S+ 0 0 93 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.683 109.3 56.9 -70.7 -8.7 26.7 -30.4 37.9 151 151 A D H << S+ 0 0 119 -3,-3.6 -1,-0.2 -4,-1.0 -2,-0.2 0.530 104.7 49.9 -92.9 -13.2 25.2 -26.9 38.3 152 152 A A H << 0 0 55 -3,-1.2 -2,-0.2 -4,-0.9 -1,-0.2 0.414 360.0 360.0 -99.7 -10.8 24.4 -26.6 34.6 153 153 A A < 0 0 100 -4,-0.6 -3,-0.2 -5,-0.3 -4,-0.1 -0.278 360.0 360.0-178.3 360.0 22.7 -30.0 34.7