==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-FEB-12 4AL1 . COMPND 2 MOLECULE: PROSTAGLANDIN E SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.SJOGREN,J.NORD,M.EK,P.JOHANSSON,G.LIU,S.GESCHWINDNER . 143 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 81.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.8 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 0 RESIDUES PER ALPHA HELIX . 1 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 10 A S > 0 0 80 0, 0.0 3,-1.6 0, 0.0 81,-0.1 0.000 360.0 360.0 360.0 88.6 9.8 -4.3 24.5 2 11 A P T 3 + 0 0 98 0, 0.0 4,-0.4 0, 0.0 80,-0.1 0.647 360.0 56.1 -64.5 -18.8 13.6 -4.4 24.0 3 12 A A T 3> S+ 0 0 1 78,-0.4 4,-2.3 1,-0.1 5,-0.2 0.626 85.5 84.7 -86.6 -16.0 13.1 -5.1 20.2 4 13 A L H <> S+ 0 0 37 -3,-1.6 4,-2.8 77,-0.3 5,-0.2 0.874 85.8 50.3 -59.0 -47.5 10.9 -2.0 19.6 5 14 A P H > S+ 0 0 91 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.928 112.3 49.0 -57.5 -44.8 13.7 0.7 19.1 6 15 A A H > S+ 0 0 5 -4,-0.4 4,-2.4 2,-0.2 5,-0.2 0.928 112.4 48.7 -58.3 -46.6 15.4 -1.6 16.5 7 16 A F H X S+ 0 0 6 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.935 112.7 47.0 -57.4 -48.9 12.0 -2.1 14.8 8 17 A L H X S+ 0 0 84 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.846 112.0 50.8 -65.8 -35.4 11.3 1.6 14.7 9 18 A L H X S+ 0 0 91 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.950 115.2 41.3 -65.3 -50.1 14.8 2.5 13.4 10 19 A C H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.919 116.7 49.0 -64.4 -44.0 14.6 -0.1 10.5 11 20 A S H X S+ 0 0 7 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.903 111.8 47.7 -64.0 -42.5 11.0 0.7 9.6 12 21 A T H X S+ 0 0 75 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.905 110.1 52.2 -72.1 -36.3 11.6 4.5 9.6 13 22 A L H X S+ 0 0 78 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.889 110.0 50.5 -60.0 -40.1 14.7 4.1 7.5 14 23 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.865 108.9 50.4 -67.4 -37.2 12.7 2.0 5.0 15 24 A V H X S+ 0 0 36 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.937 111.2 48.2 -63.0 -46.5 9.9 4.6 4.8 16 25 A I H X S+ 0 0 86 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.895 108.6 55.6 -59.0 -38.7 12.6 7.3 4.1 17 26 A K H X S+ 0 0 26 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.859 107.0 49.7 -62.2 -36.6 14.0 4.9 1.5 18 27 A M H X S+ 0 0 6 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.884 107.6 53.2 -67.9 -40.9 10.5 4.8 -0.1 19 28 A Y H X S+ 0 0 151 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.884 106.2 54.5 -57.9 -39.3 10.4 8.6 -0.1 20 29 A V H X S+ 0 0 70 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.908 106.1 51.5 -62.6 -41.5 13.7 8.6 -1.9 21 30 A V H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.915 109.5 50.1 -60.1 -43.2 12.2 6.4 -4.6 22 31 A A H X S+ 0 0 45 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.929 112.2 47.9 -60.0 -44.1 9.3 8.9 -5.0 23 32 A I H X S+ 0 0 98 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.949 111.7 49.1 -60.3 -50.7 11.8 11.7 -5.3 24 33 A I H X S+ 0 0 54 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.903 109.4 53.2 -55.4 -44.9 13.9 9.8 -7.9 25 34 A T H X S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.930 109.5 48.0 -57.5 -48.2 10.7 9.0 -9.9 26 35 A G H X S+ 0 0 41 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.909 112.6 48.5 -59.1 -44.8 9.8 12.7 -10.0 27 36 A Q H X S+ 0 0 87 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.892 110.6 51.3 -63.0 -41.5 13.4 13.7 -11.1 28 37 A V H X S+ 0 0 33 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.913 108.8 50.7 -62.6 -45.5 13.3 11.0 -13.8 29 38 A R H X>S+ 0 0 51 -4,-2.5 5,-2.0 2,-0.2 4,-0.6 0.901 114.5 44.8 -54.8 -44.5 10.0 12.3 -15.2 30 39 A L H <5S+ 0 0 72 -4,-1.9 3,-0.3 3,-0.2 -2,-0.2 0.926 116.5 44.8 -68.2 -45.9 11.4 15.8 -15.3 31 40 A R H <5S+ 0 0 163 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.873 122.1 36.5 -67.5 -40.7 14.7 14.8 -16.8 32 41 A K H <5S- 0 0 74 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.488 104.2-129.6 -87.8 -4.9 13.2 12.4 -19.4 33 42 A K T <5 + 0 0 70 -4,-0.6 2,-0.5 -3,-0.3 -3,-0.2 0.965 58.7 142.9 45.8 61.3 10.2 14.7 -20.0 34 43 A A < + 0 0 0 -5,-2.0 2,-0.3 -6,-0.1 16,-0.2 -0.909 23.1 174.3-132.4 102.2 7.8 11.8 -19.5 35 44 A F B -a 50 0A 10 14,-2.9 16,-1.2 -2,-0.5 21,-0.0 -0.805 32.4-148.9-113.3 151.8 4.6 12.8 -17.7 36 45 A A S S+ 0 0 61 -2,-0.3 14,-0.1 14,-0.2 -1,-0.1 0.613 82.9 58.7 -88.5 -16.3 1.4 10.8 -16.9 37 46 A N S > S- 0 0 69 1,-0.1 4,-2.3 14,-0.1 3,-0.4 -0.934 72.2-139.1-124.1 135.8 -0.9 13.8 -17.0 38 47 A P H > S+ 0 0 73 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.872 105.9 59.1 -61.7 -35.4 -1.6 16.3 -19.8 39 48 A E H > S+ 0 0 127 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.877 110.0 43.2 -58.6 -37.4 -1.6 19.2 -17.3 40 49 A D H > S+ 0 0 55 -3,-0.4 4,-1.6 2,-0.2 3,-0.2 0.945 113.1 50.3 -71.1 -51.5 2.0 18.3 -16.3 41 50 A A H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 -2,-0.2 0.896 109.5 52.6 -53.4 -44.1 3.2 17.7 -19.9 42 51 A L H ><5S+ 0 0 111 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.854 108.0 49.8 -64.1 -38.4 1.8 21.1 -21.0 43 52 A R H 3<5S+ 0 0 203 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.831 114.0 48.5 -65.5 -30.2 3.6 23.0 -18.2 44 53 A H T 3<5S- 0 0 50 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.016 137.2 -55.7-107.6 27.2 6.9 21.2 -19.2 45 54 A G T < 5S- 0 0 53 -3,-0.9 -3,-0.2 3,-0.0 3,-0.1 0.237 94.3 -51.8 129.9 -18.5 7.1 21.7 -23.0 46 55 A G > < - 0 0 8 -5,-2.4 3,-1.8 -6,-0.1 -2,-0.1 -0.669 64.1 -64.3 138.3 171.5 4.0 20.4 -24.7 47 56 A P G > S+ 0 0 90 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.684 115.0 72.4 -65.5 -22.8 1.5 17.5 -25.2 48 57 A Q G 3 S+ 0 0 110 1,-0.3 -6,-0.0 -3,-0.1 -2,-0.0 0.644 88.7 64.0 -67.6 -15.4 4.2 15.3 -26.8 49 58 A Y G < S+ 0 0 58 -3,-1.8 -14,-2.9 -11,-0.1 2,-1.3 0.370 73.1 96.9 -90.1 2.0 5.7 14.9 -23.3 50 59 A C B < +a 35 0A 52 -3,-1.7 2,-0.3 -16,-0.2 -14,-0.2 -0.795 68.8 111.2 -85.5 92.2 2.5 13.1 -22.0 51 60 A R - 0 0 118 -2,-1.3 2,-0.1 -16,-1.2 -14,-0.1 -0.989 69.7 -99.9-162.1 158.8 4.1 9.7 -22.6 52 61 A S - 0 0 98 -2,-0.3 -17,-0.1 -18,-0.1 3,-0.1 -0.470 30.1-165.6 -85.2 160.1 5.5 6.7 -20.9 53 62 A D > - 0 0 19 -2,-0.1 4,-3.1 -19,-0.1 5,-0.2 -0.985 24.9-132.3-148.1 136.7 9.2 6.1 -20.4 54 63 A P H > S+ 0 0 99 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.821 109.1 50.0 -62.6 -33.0 11.1 2.8 -19.4 55 64 A D H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.892 113.1 46.1 -73.0 -38.4 13.1 4.5 -16.7 56 65 A V H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.929 112.9 50.7 -63.3 -46.1 10.0 6.0 -15.2 57 66 A E H X S+ 0 0 76 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.888 108.9 51.9 -60.1 -40.6 8.2 2.7 -15.5 58 67 A R H X S+ 0 0 61 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.890 108.8 50.3 -59.9 -44.1 11.1 1.0 -13.7 59 68 A C H X S+ 0 0 6 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.913 110.1 50.6 -61.6 -43.7 10.9 3.5 -10.9 60 69 A L H X S+ 0 0 63 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.871 109.2 51.1 -63.4 -39.4 7.2 2.9 -10.5 61 70 A R H X S+ 0 0 110 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.890 109.9 49.2 -63.8 -43.2 7.8 -0.9 -10.4 62 71 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.932 113.4 47.4 -59.9 -43.7 10.4 -0.5 -7.6 63 72 A H H X S+ 0 0 44 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.925 112.5 49.0 -66.9 -44.0 8.0 1.8 -5.7 64 73 A R H X S+ 0 0 160 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.918 109.2 51.9 -61.9 -42.2 5.1 -0.7 -6.1 65 74 A N H X S+ 0 0 25 -4,-2.6 4,-1.0 1,-0.2 5,-0.3 0.898 106.9 54.1 -62.6 -39.2 7.3 -3.6 -5.0 66 75 A D H >X>S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.9 0.921 108.6 49.3 -53.6 -48.4 8.2 -1.6 -1.9 67 76 A M H 3<5S+ 0 0 83 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.850 108.1 54.5 -63.0 -34.5 4.4 -1.2 -1.2 68 77 A E H 3<5S+ 0 0 90 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.721 127.4 16.3 -67.7 -22.5 3.9 -4.9 -1.7 69 78 A T H S+ 0 0 59 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.878 110.1 55.8 -55.9 -39.4 3.2 -5.6 5.5 73 82 A F H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 5,-0.5 0.892 101.1 58.2 -57.6 -41.3 6.6 -5.5 7.4 74 83 A L H X S+ 0 0 50 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.889 114.5 37.6 -55.1 -40.7 5.4 -2.3 9.1 75 84 A F H X S+ 0 0 136 -4,-1.3 4,-2.2 -3,-0.2 5,-0.2 0.962 121.3 43.0 -73.9 -54.9 2.4 -4.2 10.5 76 85 A L H X S+ 0 0 28 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.900 114.8 48.3 -59.7 -49.8 4.2 -7.5 11.2 77 86 A G H X S+ 0 0 0 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.850 111.2 51.5 -61.8 -37.9 7.3 -6.1 12.8 78 87 A F H X S+ 0 0 101 -4,-0.9 4,-0.7 -5,-0.5 -2,-0.2 0.959 114.8 41.1 -64.8 -51.7 5.3 -3.8 15.0 79 88 A V H >< S+ 0 0 43 -4,-2.2 3,-1.4 1,-0.2 4,-0.4 0.938 114.9 52.6 -59.4 -49.1 3.1 -6.6 16.4 80 89 A Y H >< S+ 0 0 3 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.867 100.8 61.4 -57.0 -39.8 6.1 -9.0 16.6 81 90 A S H 3< S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.3 -78,-0.4 0.756 105.6 48.5 -59.4 -25.2 8.1 -6.4 18.7 82 91 A F T << S+ 0 0 106 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.449 94.0 74.2 -95.3 -0.8 5.4 -6.6 21.4 83 92 A L S < S- 0 0 75 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 0.278 109.2-105.1 -99.4 10.4 5.2 -10.4 21.6 84 93 A G + 0 0 64 -3,-0.4 -3,-0.1 -4,-0.1 -2,-0.1 0.888 51.4 175.5 75.1 44.7 8.5 -10.8 23.5 85 94 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -82,-0.1 -0.406 48.3 -87.0 -74.8 158.2 10.9 -12.1 21.0 86 95 A N > - 0 0 96 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.522 42.6-131.7 -55.9 128.0 14.6 -12.7 21.9 87 96 A P H > S+ 0 0 52 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.831 103.8 49.5 -60.2 -36.2 16.0 -9.2 21.1 88 97 A F H > S+ 0 0 140 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.909 111.7 47.9 -67.8 -44.0 18.9 -10.5 19.1 89 98 A V H > S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 113.3 49.4 -60.0 -44.3 16.7 -12.8 17.0 90 99 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.936 108.7 52.8 -59.0 -48.8 14.4 -9.8 16.5 91 100 A W H X S+ 0 0 97 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.892 108.2 51.1 -51.6 -45.3 17.4 -7.6 15.5 92 101 A M H X S+ 0 0 74 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.883 109.0 50.1 -63.1 -41.5 18.4 -10.2 12.9 93 102 A H H X S+ 0 0 24 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.934 115.5 43.3 -58.7 -49.5 14.9 -10.3 11.4 94 103 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.872 114.6 49.1 -67.7 -41.3 14.8 -6.5 11.1 95 104 A L H X S+ 0 0 61 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.891 109.2 51.0 -66.1 -43.4 18.3 -6.2 9.8 96 105 A V H X S+ 0 0 67 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.917 113.8 47.1 -60.6 -43.1 17.9 -8.9 7.1 97 106 A F H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.957 113.3 47.0 -61.5 -51.1 14.7 -7.1 5.9 98 107 A L H X S+ 0 0 26 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.937 117.7 41.5 -56.4 -50.3 16.4 -3.6 5.9 99 108 A V H X S+ 0 0 93 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.931 115.5 50.4 -67.2 -45.7 19.5 -4.8 4.1 100 109 A G H X S+ 0 0 8 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.897 113.6 45.8 -56.2 -45.5 17.5 -7.0 1.6 101 110 A R H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.893 112.9 47.8 -69.1 -42.2 15.1 -4.1 0.8 102 111 A V H X S+ 0 0 61 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.936 114.1 48.4 -62.2 -45.9 17.8 -1.5 0.4 103 112 A A H X S+ 0 0 36 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.869 107.8 56.6 -58.4 -40.1 19.7 -4.0 -1.9 104 113 A H H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.936 108.3 45.7 -58.0 -49.0 16.5 -4.6 -3.8 105 114 A T H X S+ 0 0 13 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.912 113.8 48.9 -64.5 -42.4 16.0 -1.0 -4.7 106 115 A V H X S+ 0 0 91 -4,-2.3 4,-1.9 1,-0.2 6,-0.2 0.940 114.2 46.8 -58.3 -45.8 19.8 -0.6 -5.7 107 116 A A H <>S+ 0 0 3 -4,-2.9 5,-2.1 2,-0.2 -2,-0.2 0.870 116.6 44.8 -63.6 -37.5 19.4 -3.8 -7.8 108 117 A Y H ><5S+ 0 0 23 -4,-2.5 3,-1.1 -5,-0.2 -2,-0.2 0.973 120.3 34.9 -73.6 -57.8 16.2 -2.6 -9.4 109 118 A L H 3<5S+ 0 0 42 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.796 117.8 54.9 -70.1 -27.7 17.0 1.1 -10.2 110 119 A G T 3<5S- 0 0 47 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.426 105.4-130.0 -84.4 -0.7 20.6 0.1 -11.0 111 120 A K T < 5 - 0 0 116 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.857 38.1-176.7 54.5 43.2 19.5 -2.5 -13.5 112 121 A L < - 0 0 84 -5,-2.1 5,-0.3 -6,-0.2 -1,-0.2 -0.385 33.0 -90.0 -72.2 149.4 21.7 -5.2 -12.0 113 122 A R > - 0 0 198 1,-0.1 3,-1.8 3,-0.1 4,-0.3 -0.152 61.9 -66.9 -61.1 150.1 21.8 -8.5 -13.8 114 123 A A T 3 S+ 0 0 84 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 -0.475 111.7 26.9 -71.9 150.7 19.3 -11.2 -12.8 115 124 A P T 3> S+ 0 0 75 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 -0.773 97.8 88.4 -99.5 38.2 18.8 -12.9 -10.4 116 125 A I H <> S+ 0 0 55 -3,-1.8 4,-2.2 1,-0.2 5,-0.2 0.952 94.8 43.6 -58.8 -52.2 20.4 -10.3 -8.1 117 126 A R H > S+ 0 0 88 -4,-0.3 4,-2.5 -5,-0.3 -1,-0.2 0.935 114.7 49.8 -57.5 -47.5 17.1 -8.4 -7.5 118 127 A S H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.865 109.6 51.3 -64.7 -36.1 15.1 -11.7 -7.1 119 128 A V H X S+ 0 0 73 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.938 111.2 47.3 -61.7 -48.3 17.6 -13.0 -4.5 120 129 A T H X S+ 0 0 18 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.893 112.3 51.1 -63.1 -38.8 17.4 -9.8 -2.5 121 130 A Y H X S+ 0 0 70 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.940 112.9 44.6 -59.3 -49.7 13.6 -9.9 -2.7 122 131 A T H X S+ 0 0 80 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.909 112.0 51.9 -65.7 -45.0 13.4 -13.5 -1.5 123 132 A L H < S+ 0 0 91 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.914 110.5 48.7 -55.6 -47.9 16.0 -13.0 1.3 124 133 A A H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.824 107.2 56.1 -63.0 -33.6 14.0 -10.0 2.6 125 134 A Q H X S+ 0 0 50 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.763 91.5 74.9 -72.6 -24.5 10.7 -12.0 2.6 126 135 A L H X S+ 0 0 105 -4,-1.3 4,-2.4 -3,-0.4 -1,-0.2 0.937 97.5 42.5 -52.5 -56.0 12.2 -14.7 4.8 127 136 A P H > S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.811 114.1 54.5 -63.0 -27.7 12.0 -12.7 8.1 128 137 A C H X S+ 0 0 7 -4,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.930 108.8 46.5 -67.3 -47.0 8.6 -11.5 7.1 129 138 A A H X S+ 0 0 55 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.913 112.9 51.7 -59.8 -44.0 7.3 -15.0 6.6 130 139 A S H X S+ 0 0 39 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.936 111.2 45.4 -57.3 -50.3 8.9 -16.0 9.9 131 140 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.904 110.6 54.9 -63.3 -41.1 7.2 -13.1 11.8 132 141 A A H X S+ 0 0 39 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.922 110.6 44.6 -58.9 -46.3 3.9 -13.8 10.2 133 142 A L H X S+ 0 0 89 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.901 112.4 51.4 -65.5 -41.6 3.9 -17.5 11.3 134 143 A Q H X S+ 0 0 77 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.924 112.8 46.1 -62.2 -42.4 5.0 -16.6 14.8 135 144 A I H X S+ 0 0 25 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.878 108.6 56.9 -64.7 -40.3 2.2 -14.0 15.1 136 145 A L H X S+ 0 0 95 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.934 109.9 43.6 -57.4 -48.6 -0.3 -16.5 13.7 137 146 A W H X S+ 0 0 156 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.891 113.9 50.2 -65.5 -42.2 0.5 -19.1 16.5 138 147 A E H X S+ 0 0 50 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.922 115.0 43.9 -62.0 -45.8 0.5 -16.5 19.2 139 148 A A H >< S+ 0 0 56 -4,-2.9 3,-1.1 1,-0.2 4,-0.3 0.945 112.6 52.2 -62.0 -50.2 -2.9 -15.1 18.1 140 149 A A H >< S+ 0 0 54 -4,-2.8 3,-1.3 -5,-0.3 -2,-0.2 0.887 107.3 52.0 -53.3 -43.9 -4.3 -18.6 17.6 141 150 A R H 3< S+ 0 0 171 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.645 108.2 51.5 -75.4 -14.3 -3.4 -19.7 21.1 142 151 A H T << 0 0 125 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.340 360.0 360.0 -98.6 2.1 -5.1 -16.7 22.7 143 152 A L < 0 0 188 -3,-1.3 -2,-0.1 -4,-0.3 -1,-0.1 0.918 360.0 360.0 -66.4 360.0 -8.4 -17.2 20.9