==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-AUG-02 1IYH . COMPND 2 MOLECULE: HEMATOPOIETIC PROSTAGLADIN D SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.INOUE . 792 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 584 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 5.1 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 . 4 0.5 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 . 40 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 356 44.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 4 0 0 0 11 1 1 5 4 2 0 4 0 3 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 4 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 8 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 4 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 2 A P 0 0 105 0, 0.0 2,-0.5 0, 0.0 54,-0.0 0.000 360.0 360.0 360.0 159.9 5.4 24.6 85.3 2 3 A N - 0 0 133 26,-0.0 54,-2.4 2,-0.0 2,-0.4 -0.771 360.0-165.1 -90.8 129.9 8.8 26.2 85.3 3 4 A Y E -A 55 0A 35 -2,-0.5 26,-2.2 24,-0.2 2,-0.4 -0.935 12.3-178.5-117.8 137.9 8.9 29.8 84.2 4 5 A K E -Ab 54 29A 67 50,-1.8 50,-2.8 -2,-0.4 2,-0.5 -0.937 8.9-163.5-137.6 112.0 11.9 31.9 83.2 5 6 A L E -Ab 53 30A 0 24,-2.7 26,-2.4 -2,-0.4 2,-0.5 -0.820 6.6-163.7 -95.7 129.9 11.4 35.6 82.2 6 7 A T E +Ab 52 31A 6 46,-2.2 46,-1.1 -2,-0.5 2,-0.3 -0.967 29.8 121.0-119.6 125.8 14.3 37.2 80.4 7 8 A Y E - b 0 32A 20 24,-2.1 26,-2.2 -2,-0.5 5,-0.0 -0.933 60.9 -74.1-162.2 179.7 14.6 41.0 80.0 8 9 A F E - b 0 33A 38 -2,-0.3 2,-1.8 24,-0.2 26,-0.1 -0.270 60.5 -88.5 -77.8 172.8 16.9 43.9 80.8 9 10 A N S S+ 0 0 68 24,-0.7 2,-0.3 23,-0.1 -1,-0.1 -0.617 98.3 81.1 -86.1 80.7 17.2 45.2 84.4 10 11 A M S S- 0 0 60 -2,-1.8 4,-0.2 1,-0.2 185,-0.1 -0.948 85.3-109.7-168.1 165.8 14.3 47.7 84.2 11 12 A R S >> S+ 0 0 17 187,-2.4 4,-1.5 -2,-0.3 3,-1.5 0.993 74.0 120.0 -69.1 -66.1 10.5 47.7 84.4 12 13 A G G >4 S- 0 0 25 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.043 88.7 -19.5 41.6-139.2 9.9 48.4 80.7 13 14 A R G 34 S+ 0 0 77 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.475 134.2 61.0 -80.7 -1.7 7.9 45.8 78.8 14 15 A A G X> S+ 0 0 0 -3,-1.5 4,-2.1 -4,-0.2 3,-0.6 0.667 82.5 82.2 -95.4 -18.1 8.5 43.0 81.2 15 16 A E H S+ 0 0 1 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.900 109.6 47.5 -61.9 -36.6 3.2 43.8 83.1 17 18 A I H <> S+ 0 0 0 -3,-0.6 4,-2.4 -4,-0.3 -2,-0.2 0.932 110.8 51.2 -68.6 -43.2 4.3 40.1 83.2 18 19 A R H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.874 108.8 51.6 -62.3 -37.4 6.0 40.7 86.6 19 20 A Y H X S+ 0 0 1 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.915 109.1 50.1 -64.6 -44.6 2.8 42.2 88.0 20 21 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.937 110.3 49.0 -61.3 -47.5 0.7 39.3 86.9 21 22 A F H <>S+ 0 0 1 -4,-2.4 5,-2.5 1,-0.2 4,-0.5 0.908 113.7 48.2 -57.8 -42.5 3.1 36.8 88.4 22 23 A A H ><5S+ 0 0 23 -4,-2.1 3,-1.1 -5,-0.2 -2,-0.2 0.956 112.7 47.2 -62.7 -50.5 3.0 38.8 91.7 23 24 A Y H 3<5S+ 0 0 60 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.897 116.0 43.5 -58.5 -44.0 -0.8 39.1 91.7 24 25 A L T 3<5S- 0 0 43 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.443 108.3-126.1 -83.2 0.2 -1.3 35.4 91.0 25 26 A D T < 5 + 0 0 127 -3,-1.1 2,-0.5 -4,-0.5 -3,-0.2 0.929 54.1 156.5 53.5 52.4 1.4 34.4 93.5 26 27 A I < - 0 0 54 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.925 39.7-128.0-112.3 130.2 3.3 32.4 90.9 27 28 A Q + 0 0 158 -2,-0.5 2,-0.3 -5,-0.0 -24,-0.2 -0.484 38.6 156.6 -76.2 145.3 7.0 31.7 91.3 28 29 A Y - 0 0 48 -2,-0.2 2,-0.7 -26,-0.1 -24,-0.2 -0.985 46.6-101.6-161.4 161.6 9.3 32.4 88.4 29 30 A E E -b 4 0A 99 -26,-2.2 -24,-2.7 -2,-0.3 2,-1.4 -0.844 28.0-155.5 -93.2 115.7 12.9 33.2 87.6 30 31 A D E -b 5 0A 45 -2,-0.7 2,-0.7 -26,-0.2 -24,-0.1 -0.695 16.9-169.1 -90.9 83.8 13.3 36.9 87.0 31 32 A H E -b 6 0A 60 -26,-2.4 -24,-2.1 -2,-1.4 2,-0.6 -0.674 5.7-173.6 -82.5 115.1 16.3 36.8 84.7 32 33 A R E -b 7 0A 38 -2,-0.7 -24,-0.2 -26,-0.2 -23,-0.1 -0.917 9.4-156.7-112.0 111.2 17.8 40.3 84.1 33 34 A I E -b 8 0A 9 -26,-2.2 -24,-0.7 -2,-0.6 2,-0.3 -0.410 9.9-127.8 -85.8 162.2 20.6 40.5 81.6 34 35 A E > - 0 0 110 -26,-0.1 3,-1.5 -2,-0.1 4,-0.5 -0.698 29.1-108.9-102.7 158.4 23.4 43.1 81.3 35 36 A Q G > S+ 0 0 139 1,-0.3 3,-1.6 -2,-0.3 -1,-0.1 0.866 116.1 66.1 -54.1 -36.9 24.2 44.9 78.1 36 37 A A G 3 S+ 0 0 88 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.789 103.4 44.3 -56.9 -31.0 27.4 42.9 77.9 37 38 A D G <> S+ 0 0 76 -3,-1.5 4,-2.5 1,-0.2 3,-0.5 0.447 83.7 99.8 -95.6 0.8 25.5 39.7 77.4 38 39 A W H <> S+ 0 0 57 -3,-1.6 4,-3.3 -4,-0.5 5,-0.3 0.898 76.9 56.4 -53.1 -49.0 23.0 41.0 74.8 39 40 A P H > S+ 0 0 93 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.886 113.4 41.0 -53.3 -39.9 24.8 39.6 71.8 40 41 A E H 4 S+ 0 0 133 -3,-0.5 -2,-0.2 -4,-0.2 3,-0.2 0.925 116.8 47.1 -74.1 -46.7 24.7 36.1 73.2 41 42 A I H >< S+ 0 0 25 -4,-2.5 3,-2.1 1,-0.2 4,-0.5 0.936 107.9 57.5 -59.7 -47.5 21.1 36.4 74.5 42 43 A K H >< S+ 0 0 105 -4,-3.3 3,-1.6 1,-0.3 6,-0.3 0.841 94.1 64.5 -53.4 -40.3 19.8 37.9 71.2 43 44 A S T 3< S+ 0 0 100 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.517 103.6 50.4 -64.9 -3.2 21.0 34.9 69.1 44 45 A T T < S+ 0 0 92 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.507 87.2 100.6-109.6 -12.0 18.5 32.8 71.0 45 46 A L S < S- 0 0 13 -3,-1.6 3,-0.5 -4,-0.5 5,-0.1 -0.541 72.8-133.1 -79.1 139.8 15.4 35.0 70.6 46 47 A P S S+ 0 0 34 0, 0.0 485,-0.1 0, 0.0 -1,-0.1 0.873 105.4 12.8 -59.5 -37.9 12.9 34.0 67.9 47 48 A F S S- 0 0 8 2,-0.3 3,-0.1 484,-0.0 480,-0.1 0.042 110.9-101.1-129.5 26.6 12.7 37.6 66.7 48 49 A G S S+ 0 0 11 -3,-0.5 2,-0.3 -6,-0.3 -6,-0.1 0.635 87.6 110.6 65.3 17.8 15.7 39.2 68.3 49 50 A K - 0 0 145 -7,-0.1 -2,-0.3 2,-0.1 -1,-0.2 -0.911 55.5-110.2-128.0 151.9 13.5 40.9 71.0 50 51 A I S S+ 0 0 22 -2,-0.3 2,-0.1 -3,-0.1 -43,-0.1 -0.851 74.1 62.1-119.9 161.5 12.9 40.6 74.7 51 52 A P + 0 0 5 0, 0.0 11,-0.9 0, 0.0 2,-0.3 0.453 59.3 166.7 -75.4 160.3 11.0 39.9 76.9 52 53 A I E -AC 6 61A 6 -46,-1.1 -46,-2.2 9,-0.2 2,-0.5 -0.941 23.0-148.7-131.5 152.5 10.6 36.2 76.3 53 54 A L E -AC 5 60A 0 7,-2.4 7,-2.4 -2,-0.3 2,-0.5 -0.982 7.2-150.4-127.5 118.4 9.1 33.8 78.8 54 55 A E E -AC 4 59A 60 -50,-2.8 -50,-1.8 -2,-0.5 2,-0.5 -0.782 13.3-171.1 -90.3 127.4 10.3 30.2 78.8 55 56 A V E > -AC 3 58A 7 3,-3.3 3,-2.1 -2,-0.5 -52,-0.2 -0.958 68.7 -31.9-123.2 110.4 7.6 27.8 79.9 56 57 A D T 3 S- 0 0 103 -54,-2.4 -1,-0.1 -2,-0.5 -53,-0.1 0.889 128.2 -41.8 46.7 47.5 8.7 24.2 80.6 57 58 A G T 3 S+ 0 0 70 -55,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.336 118.8 105.6 87.6 -8.4 11.4 24.4 77.9 58 59 A L E < -C 55 0A 104 -3,-2.1 -3,-3.3 -5,-0.0 2,-0.5 -0.870 64.5-128.5-110.0 142.5 9.3 26.3 75.3 59 60 A T E -C 54 0A 50 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.746 19.5-173.9 -97.3 128.8 9.8 30.0 74.4 60 61 A L E -C 53 0A 0 -7,-2.4 -7,-2.4 -2,-0.5 2,-0.3 -0.867 11.5-171.3-110.4 146.9 7.0 32.5 74.3 61 62 A H E +C 52 0A 10 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.848 42.7 64.0-134.0 173.3 7.6 36.1 73.1 62 63 A Q >> - 0 0 30 -11,-0.9 4,-2.5 -2,-0.3 3,-0.5 0.860 68.3-126.1 75.2 104.9 5.8 39.5 72.9 63 64 A S H 3> S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.823 106.8 44.4 -47.3 -45.1 5.0 41.0 76.3 64 65 A L H 3> S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.825 111.5 52.3 -74.6 -31.8 1.3 41.5 75.7 65 66 A A H <> S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.910 113.3 46.4 -67.3 -40.3 0.8 38.1 74.2 66 67 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.919 110.5 52.0 -66.3 -45.2 2.5 36.6 77.2 67 68 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.903 110.6 48.6 -59.4 -40.8 0.4 38.7 79.6 68 69 A R H X S+ 0 0 13 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.922 110.5 51.4 -66.6 -41.9 -2.7 37.5 77.9 69 70 A Y H >< S+ 0 0 32 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.929 110.3 48.7 -59.1 -47.1 -1.6 33.9 78.1 70 71 A L H 3< S+ 0 0 11 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.766 112.1 48.5 -65.9 -28.5 -0.8 34.2 81.9 71 72 A T H >< S+ 0 0 2 -4,-1.4 3,-1.7 -5,-0.2 6,-0.5 0.489 80.0 122.0 -93.3 -2.5 -4.2 35.8 82.7 72 73 A K T << S+ 0 0 40 -3,-0.9 3,-0.1 -4,-0.7 4,-0.0 -0.386 84.4 9.4 -62.5 133.6 -6.3 33.3 80.8 73 74 A N T 3 S+ 0 0 146 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.732 111.1 106.6 67.1 25.2 -8.8 31.6 83.1 74 75 A T S X S- 0 0 39 -3,-1.7 3,-1.4 4,-0.1 4,-0.4 -0.818 86.3-104.5-125.6 169.2 -8.0 34.0 85.9 75 76 A D T 3 S+ 0 0 76 -2,-0.3 3,-0.2 1,-0.2 4,-0.1 0.646 115.3 65.4 -68.7 -14.6 -9.9 37.0 87.4 76 77 A L T 3 S+ 0 0 0 1,-0.2 71,-1.8 -5,-0.2 72,-0.3 0.631 85.8 74.7 -82.1 -13.7 -7.6 39.4 85.6 77 78 A A S < S- 0 0 14 -3,-1.4 -1,-0.2 -6,-0.5 10,-0.2 0.857 107.0 -94.0 -68.2 -40.8 -8.8 38.4 82.2 78 79 A G - 0 0 8 -4,-0.4 -1,-0.2 -3,-0.2 6,-0.1 -0.188 26.5-107.4 126.5 138.5 -12.2 40.0 82.0 79 80 A N S S+ 0 0 92 -2,-0.1 2,-0.2 65,-0.1 -1,-0.1 0.781 94.9 22.6 -67.8 -32.6 -15.6 38.6 82.9 80 81 A T S > S- 0 0 64 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.791 82.0-106.2-129.3 173.2 -17.0 38.2 79.4 81 82 A E H > S+ 0 0 87 -2,-0.2 4,-1.7 2,-0.2 5,-0.1 0.902 121.7 51.0 -67.5 -38.7 -15.7 37.9 75.8 82 83 A M H > S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.932 112.5 45.8 -62.6 -45.7 -16.9 41.5 75.1 83 84 A E H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.853 108.6 55.7 -66.2 -35.1 -15.0 42.7 78.2 84 85 A Q H X S+ 0 0 56 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.847 106.9 51.4 -64.9 -32.9 -12.0 40.7 77.3 85 86 A C H X S+ 0 0 3 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.904 108.8 50.6 -69.6 -40.6 -12.0 42.5 74.0 86 87 A H H X S+ 0 0 40 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.876 108.3 52.3 -64.2 -38.0 -12.2 45.8 75.8 87 88 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.950 111.8 45.7 -62.3 -48.1 -9.2 44.8 78.0 88 89 A D H X S+ 0 0 11 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.912 112.7 52.0 -60.8 -41.3 -7.2 44.0 74.9 89 90 A A H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.902 110.0 46.4 -64.2 -43.8 -8.3 47.2 73.2 90 91 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.919 112.9 50.4 -65.4 -43.7 -7.3 49.5 76.2 91 92 A V H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.934 112.0 47.0 -61.0 -43.6 -3.9 47.8 76.5 92 93 A D H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.850 109.9 53.2 -67.5 -33.1 -3.2 48.1 72.8 93 94 A T H X S+ 0 0 15 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.924 113.9 43.0 -66.0 -42.6 -4.2 51.8 72.9 94 95 A L H X S+ 0 0 6 -4,-2.4 4,-2.3 1,-0.2 3,-0.3 0.944 114.6 49.3 -67.2 -47.0 -1.8 52.4 75.7 95 96 A D H X S+ 0 0 15 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.858 105.4 59.3 -61.9 -34.5 0.9 50.3 74.1 96 97 A D H < S+ 0 0 62 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.889 108.8 44.1 -60.8 -41.1 0.4 52.2 70.8 97 98 A F H >< S+ 0 0 24 -4,-1.4 3,-1.6 -3,-0.3 4,-0.5 0.924 111.7 50.9 -71.9 -44.2 1.2 55.5 72.6 98 99 A M H >< S+ 0 0 16 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.879 105.3 58.8 -60.3 -35.3 4.2 54.2 74.5 99 100 A S T 3< S+ 0 0 58 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.574 91.2 71.3 -71.2 -9.0 5.6 52.8 71.2 100 101 A C T < S+ 0 0 72 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.708 78.3 94.7 -78.7 -21.6 5.6 56.3 69.8 101 102 A F S < S- 0 0 8 -3,-1.3 2,-1.9 -4,-0.5 3,-0.2 -0.506 81.7-125.5 -75.4 138.7 8.5 57.4 72.0 102 103 A P > + 0 0 26 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.424 43.0 162.6 -81.4 64.7 12.1 57.2 70.5 103 104 A W T 3 S+ 0 0 78 -2,-1.9 -4,-0.0 1,-0.3 -3,-0.0 0.771 75.2 44.6 -55.0 -30.2 13.5 55.1 73.3 104 105 A A T 3 S+ 0 0 89 -3,-0.2 -1,-0.3 7,-0.0 2,-0.2 0.488 78.4 132.6 -95.7 -3.7 16.5 54.0 71.2 105 106 A E < - 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0 0 2 -4,-0.1 3,-1.3 -59,-0.0 4,-1.1 -0.852 45.6 -97.2-132.4 170.3 15.6 10.7 30.7 744 748 D W H 3> S+ 0 0 4 -71,-1.9 4,-2.8 -2,-0.3 5,-0.1 0.667 119.0 71.4 -67.2 -10.7 16.3 14.4 31.0 745 749 D A H 3> S+ 0 0 0 -72,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.886 97.0 49.7 -68.1 -38.3 12.5 14.9 30.4 746 750 D D H <> S+ 0 0 0 -3,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.897 109.9 51.9 -66.1 -37.9 12.0 13.5 33.9 747 751 D F H X S+ 0 0 0 -4,-1.1 4,-2.4 1,-0.2 -2,-0.2 0.959 109.2 49.1 -59.8 -52.1 14.6 15.9 35.2 748 752 D Y H X S+ 0 0 12 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.846 108.1 54.3 -59.1 -34.6 12.8 18.8 33.5 749 753 D W H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.934 110.1 46.5 -64.2 -44.2 9.5 17.7 35.1 750 754 D E H X S+ 0 0 1 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.890 114.8 47.4 -64.8 -40.0 11.0 17.8 38.5 751 755 D I H X S+ 0 0 8 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.925 114.7 44.5 -67.7 -48.3 12.6 21.2 37.9 752 756 D C H X S+ 0 0 6 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.907 114.1 49.6 -64.5 -42.1 9.5 22.8 36.5 753 757 D S H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.837 102.5 62.1 -68.3 -30.9 7.2 21.3 39.2 754 758 D T H X S+ 0 0 23 -4,-1.6 4,-0.9 -5,-0.2 -1,-0.2 0.939 110.1 40.4 -58.3 -46.5 9.6 22.5 41.9 755 759 D T H >X S+ 0 0 12 -4,-1.4 4,-1.1 1,-0.2 3,-0.5 0.901 114.2 51.5 -70.5 -41.1 9.0 26.1 40.8 756 760 D L H >X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.2 3,-0.5 0.904 105.1 57.7 -62.6 -38.8 5.3 25.6 40.2 757 761 D L H 3< S+ 0 0 38 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.777 97.9 61.3 -62.2 -28.0 4.9 24.2 43.7 758 762 D V H << S+ 0 0 17 -4,-0.9 -1,-0.2 -3,-0.5 -182,-0.2 0.896 116.5 30.6 -64.8 -40.5 6.3 27.4 45.2 759 763 D F H << S+ 0 0 24 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.623 132.8 32.8 -93.8 -15.8 3.4 29.4 43.8 760 764 D K >< + 0 0 39 -4,-1.9 3,-1.8 -5,-0.2 -1,-0.2 -0.690 63.2 179.2-143.2 84.1 0.8 26.6 43.9 761 765 D P T 3 S+ 0 0 26 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.775 83.1 53.6 -55.9 -32.1 1.3 24.2 46.8 762 766 D D T > S+ 0 0 68 1,-0.2 3,-1.5 2,-0.1 4,-0.4 0.279 73.7 116.3 -90.7 13.5 -1.8 22.1 46.0 763 767 D L T < S+ 0 0 8 -3,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.840 85.1 28.2 -47.6 -45.5 -0.6 21.5 42.4 764 768 D L T > S+ 0 0 9 -3,-0.4 3,-1.6 -4,-0.2 -1,-0.3 0.179 82.2 111.7-108.6 18.0 -0.2 17.8 42.8 765 769 D D T < S+ 0 0 120 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.821 89.9 39.9 -58.3 -31.3 -2.8 17.0 45.5 766 770 D N T 3 S+ 0 0 139 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.321 111.5 62.0 -99.4 5.7 -4.8 15.1 42.8 767 771 D H X> + 0 0 11 -3,-1.6 3,-1.2 1,-0.1 4,-1.1 -0.504 48.7 160.9-135.0 69.4 -1.8 13.5 41.1 768 772 D P H 3> S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.758 76.7 62.3 -58.7 -27.3 0.2 11.2 43.4 769 773 D R H 3> S+ 0 0 108 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.825 103.1 49.1 -70.5 -28.5 1.8 9.4 40.4 770 774 D L H <> S+ 0 0 0 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.773 110.2 51.6 -78.6 -27.0 3.5 12.7 39.4 771 775 D V H X S+ 0 0 38 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.899 107.5 52.3 -73.4 -41.5 4.7 13.2 43.0 772 776 D T H X S+ 0 0 82 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.893 108.6 51.9 -59.8 -39.5 6.1 9.7 43.0 773 777 D L H X S+ 0 0 2 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.941 107.6 50.7 -62.7 -49.7 7.9 10.6 39.8 774 778 D R H X S+ 0 0 29 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.908 110.7 49.8 -53.1 -47.1 9.4 13.8 41.3 775 779 D K H X S+ 0 0 121 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.866 106.8 55.0 -61.4 -40.1 10.7 11.7 44.3 776 780 D K H < S+ 0 0 66 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.888 110.4 45.9 -61.4 -40.2 12.3 9.1 42.0 777 781 D V H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.932 112.3 50.1 -67.8 -45.8 14.3 11.9 40.3 778 782 D Q H 3< S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.642 104.3 61.8 -67.2 -14.8 15.3 13.5 43.6 779 783 D A T 3< S+ 0 0 69 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.602 72.7 111.2 -87.4 -14.3 16.4 10.0 44.8 780 784 D I S <> S- 0 0 25 -3,-1.4 4,-3.5 -4,-0.4 3,-0.4 -0.496 74.3-130.9 -63.7 120.2 19.0 9.7 42.1 781 785 D P H > S+ 0 0 107 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.858 104.2 44.1 -37.3 -60.3 22.3 9.9 44.1 782 786 D A H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.884 118.2 45.7 -58.6 -40.4 24.0 12.5 41.8 783 787 D V H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.904 112.0 49.7 -70.9 -42.2 20.8 14.5 41.7 784 788 D A H X S+ 0 0 41 -4,-3.5 4,-2.1 2,-0.2 -2,-0.2 0.908 109.5 53.7 -62.5 -40.8 20.1 14.3 45.4 785 789 D N H X S+ 0 0 79 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.940 111.4 44.5 -58.8 -48.9 23.7 15.4 46.1 786 790 D W H X S+ 0 0 8 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.895 112.1 51.3 -63.8 -42.0 23.3 18.5 43.9 787 791 D I H < S+ 0 0 38 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 108.9 54.4 -63.6 -33.6 19.9 19.4 45.4 788 792 D K H < S+ 0 0 162 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.892 119.6 28.9 -67.9 -42.4 21.4 19.1 48.9 789 793 D R H < S+ 0 0 160 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.580 94.3 109.5 -98.2 -10.7 24.3 21.5 48.2 790 794 D R S < S- 0 0 27 -4,-2.1 -182,-0.0 -5,-0.2 -3,-0.0 -0.250 78.2 -91.9 -65.8 153.7 22.8 23.8 45.6 791 795 D P - 0 0 56 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.221 36.2-118.5 -63.9 155.4 21.9 27.4 46.6 792 796 D Q + 0 0 141 -185,-0.1 2,-0.3 -225,-0.0 3,-0.0 -0.877 46.7 148.5-102.9 119.2 18.4 28.3 47.9 793 797 D T - 0 0 4 -2,-0.6 -226,-0.2 2,-0.1 -186,-0.1 -0.916 55.1-114.9-142.3 166.7 16.3 30.8 45.9 794 798 D K 0 0 35 -228,-1.8 -227,-0.1 -2,-0.3 -36,-0.1 0.810 360.0 360.0 -73.8 -30.9 12.7 31.6 45.0 795 799 D L 0 0 41 -229,-0.3 -187,-2.4 -189,-0.2 -2,-0.1 -0.690 360.0 360.0-124.3 360.0 13.2 30.8 41.3