==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/ISOMERASE INHIBITOR 28-MAR-12 4EE0 . COMPND 2 MOLECULE: HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.E.DAY,A.THORARENSEN,J.I.TRUJILLO . 389 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 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 1.0 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 . 26 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 45.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 0 0 5 1 0 4 2 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 0 104 0, 0.0 2,-0.5 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0 151.0 12.3 -15.1 39.5 2 3 A N - 0 0 132 26,-0.1 51,-2.2 2,-0.0 2,-0.5 -0.676 360.0-163.5 -72.1 123.5 15.7 -13.4 39.5 3 4 A Y E +A 52 0A 24 -2,-0.5 26,-2.4 24,-0.4 2,-0.4 -0.946 14.6 179.8-115.5 127.6 16.1 -11.2 36.4 4 5 A K E -Ab 51 29A 67 47,-2.1 47,-2.8 -2,-0.5 2,-0.5 -0.961 10.2-162.7-125.9 114.1 19.3 -9.9 35.0 5 6 A L E -Ab 50 30A 0 24,-2.9 26,-2.3 -2,-0.4 2,-0.5 -0.813 5.2-164.1 -93.9 129.7 19.1 -7.8 31.8 6 7 A T E +Ab 49 31A 8 43,-2.7 43,-1.5 -2,-0.5 2,-0.3 -0.970 30.2 120.2-117.4 125.5 22.4 -7.3 29.9 7 8 A Y E - b 0 32A 14 24,-2.1 26,-2.6 -2,-0.5 5,-0.0 -0.921 60.8 -70.4-158.7 179.2 22.8 -4.6 27.2 8 9 A F E - b 0 33A 89 -2,-0.3 2,-1.9 24,-0.2 26,-0.2 -0.283 59.9 -89.1 -67.2 167.3 24.8 -1.5 26.3 9 10 A N S S+ 0 0 88 24,-1.3 2,-0.3 23,-0.1 -1,-0.1 -0.620 100.0 79.7 -77.5 79.4 24.4 1.7 28.2 10 11 A M S S- 0 0 49 -2,-1.9 4,-0.2 1,-0.2 182,-0.0 -0.942 85.7-111.3-171.0 165.6 21.7 3.0 25.9 11 12 A R S >> S+ 0 0 18 184,-2.6 4,-1.6 -2,-0.3 3,-1.0 0.992 73.2 119.9 -68.1 -66.3 17.9 2.6 25.3 12 13 A G T 34 S- 0 0 26 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.048 89.5 -19.3 39.6-135.7 18.2 0.8 22.0 13 14 A R T 34 S+ 0 0 99 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.617 134.8 60.7 -79.6 -15.0 16.7 -2.7 21.8 14 15 A A T X> S+ 0 0 0 -3,-1.0 4,-1.9 -4,-0.2 3,-0.8 0.731 82.3 82.0 -80.3 -23.9 16.7 -3.3 25.6 15 16 A E H 3X S+ 0 0 1 -4,-1.6 4,-2.7 -3,-0.5 5,-0.2 0.824 83.6 58.3 -60.1 -34.9 14.4 -0.4 26.4 16 17 A I H 3> S+ 0 0 1 -4,-0.3 4,-1.8 -3,-0.2 -1,-0.3 0.924 108.8 46.9 -58.5 -41.3 11.1 -2.2 25.5 17 18 A I H <> S+ 0 0 0 -3,-0.8 4,-2.5 -4,-0.3 -2,-0.2 0.917 110.9 52.4 -64.5 -42.1 12.1 -4.8 28.2 18 19 A R H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.893 108.7 49.7 -64.0 -39.6 12.9 -2.0 30.7 19 20 A Y H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.895 110.4 51.3 -61.8 -41.7 9.5 -0.4 30.1 20 21 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.936 110.5 46.8 -65.7 -47.1 7.8 -3.7 30.7 21 22 A F H <>S+ 0 0 1 -4,-2.5 5,-2.8 2,-0.2 4,-0.4 0.893 113.8 50.1 -58.9 -41.8 9.6 -4.4 34.0 22 23 A A H ><5S+ 0 0 26 -4,-2.0 3,-1.2 -5,-0.2 -2,-0.2 0.957 112.4 45.8 -62.1 -51.7 8.8 -0.8 35.1 23 24 A Y H 3<5S+ 0 0 58 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.881 116.8 43.6 -59.4 -42.1 5.1 -1.1 34.3 24 25 A L T 3<5S- 0 0 43 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.379 109.6-124.0 -87.7 3.6 4.7 -4.5 36.0 25 26 A D T < 5 + 0 0 140 -3,-1.2 2,-0.6 -4,-0.4 -3,-0.2 0.904 53.5 159.9 53.1 49.1 6.8 -3.4 39.0 26 27 A I < - 0 0 50 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.901 37.2-133.9-104.0 122.8 9.3 -6.2 38.5 27 28 A Q + 0 0 183 -2,-0.6 -24,-0.4 -5,-0.0 2,-0.3 -0.582 38.2 157.6 -74.0 135.1 12.7 -5.8 40.1 28 29 A Y - 0 0 52 -2,-0.3 2,-0.7 -26,-0.1 -24,-0.2 -0.954 46.6-101.6-148.1 165.5 15.6 -6.7 37.9 29 30 A E E -b 4 0A 100 -26,-2.4 -24,-2.9 -2,-0.3 2,-1.4 -0.871 26.7-154.0 -91.9 116.8 19.3 -6.0 37.5 30 31 A D E -b 5 0A 42 -2,-0.7 2,-0.7 -26,-0.2 -24,-0.1 -0.670 18.9-168.9 -89.7 81.7 19.8 -3.5 34.6 31 32 A H E -b 6 0A 57 -26,-2.3 -24,-2.1 -2,-1.4 2,-0.5 -0.652 2.6-169.6 -83.4 115.6 23.3 -4.5 33.7 32 33 A R E -b 7 0A 50 -2,-0.7 -24,-0.2 -26,-0.2 2,-0.2 -0.914 15.2-130.4-110.7 122.1 24.9 -2.1 31.3 33 34 A I E b 8 0A 17 -26,-2.6 -24,-1.3 -2,-0.5 -26,-0.0 -0.681 360.0 360.0-102.2 162.7 28.2 -2.8 29.5 34 35 A E 0 0 205 -2,-0.2 -1,-0.3 -26,-0.2 -26,-0.1 -0.889 360.0 360.0 -83.2 360.0 30.9 -1.9 28.7 35 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 36 40 A P 0 0 124 0, 0.0 4,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.2 34.7 -8.0 22.7 37 41 A E > + 0 0 147 2,-0.2 3,-1.0 1,-0.1 4,-0.3 0.911 360.0 50.8 -77.2 -46.2 35.0 -10.7 25.5 38 42 A I G >> S+ 0 0 74 1,-0.2 3,-1.7 2,-0.2 4,-0.7 0.818 98.4 68.6 -64.1 -32.5 31.4 -10.9 26.5 39 43 A K G >4 S+ 0 0 131 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.817 93.3 57.9 -55.8 -35.6 30.3 -11.3 22.9 40 44 A S G <4 S+ 0 0 108 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.626 102.9 54.8 -72.4 -14.0 31.9 -14.8 22.8 41 45 A T G <4 S+ 0 0 107 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.662 86.6 97.9 -90.3 -20.1 29.7 -16.0 25.7 42 46 A L S << S- 0 0 19 -4,-0.7 3,-0.4 -3,-0.6 5,-0.1 -0.315 80.6-119.3 -77.5 153.4 26.3 -15.2 24.3 43 47 A P S S+ 0 0 40 0, 0.0 285,-0.1 0, 0.0 -1,-0.1 0.891 111.0 8.8 -61.2 -41.3 24.1 -17.8 22.6 44 48 A F S S- 0 0 13 2,-0.3 3,-0.1 284,-0.0 280,-0.1 0.024 109.5-103.4-126.1 23.3 24.0 -16.0 19.2 45 49 A G S S+ 0 0 21 -3,-0.4 2,-0.3 1,-0.2 -6,-0.1 0.655 86.2 109.8 65.8 19.9 26.6 -13.3 19.9 46 50 A K - 0 0 151 2,-0.1 -2,-0.3 -7,-0.0 -1,-0.2 -0.925 56.5-106.3-130.3 150.0 24.0 -10.6 20.4 47 51 A I S S+ 0 0 30 -2,-0.3 2,-0.2 -3,-0.1 -40,-0.1 -0.872 76.1 62.7-115.7 156.7 22.5 -8.4 23.1 48 52 A P + 0 0 5 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.395 61.7 169.1 -74.4 154.7 20.1 -7.9 24.8 49 53 A I E -AC 6 58A 12 -43,-1.5 -43,-2.7 9,-0.2 2,-0.4 -0.932 20.6-152.0-123.1 155.5 20.0 -11.1 26.8 50 54 A L E -AC 5 57A 0 7,-2.1 7,-2.9 -2,-0.3 2,-0.5 -0.983 5.1-151.7-128.4 119.3 17.9 -11.7 29.9 51 55 A E E -AC 4 56A 59 -47,-2.8 -47,-2.1 -2,-0.4 2,-0.6 -0.808 10.9-169.2 -91.6 125.8 19.0 -14.3 32.5 52 56 A V E > S-AC 3 55A 9 3,-3.1 3,-0.7 -2,-0.5 -49,-0.2 -0.916 72.3 -36.1-121.0 100.1 16.0 -15.8 34.3 53 57 A D T 3 S- 0 0 112 -51,-2.2 -1,-0.1 -2,-0.6 -50,-0.1 0.902 128.2 -39.5 48.4 48.3 17.1 -17.8 37.4 54 58 A G T 3 S+ 0 0 78 1,-0.2 2,-0.4 -52,-0.2 -1,-0.2 0.630 115.7 114.4 80.2 13.4 20.3 -19.0 35.5 55 59 A L E < -C 52 0A 72 -3,-0.7 -3,-3.1 2,-0.0 2,-0.6 -0.975 60.8-136.6-113.9 132.2 18.7 -19.5 32.1 56 60 A T E -C 51 0A 61 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.803 21.2-174.2 -97.0 117.1 19.8 -17.2 29.3 57 61 A L E -C 50 0A 0 -7,-2.9 -7,-2.1 -2,-0.6 2,-0.3 -0.760 3.7-171.4-102.2 152.4 17.1 -15.8 27.0 58 62 A H E +C 49 0A 11 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.859 42.7 66.5-137.0 174.0 17.8 -13.7 23.8 59 63 A Q > - 0 0 31 -11,-0.8 4,-2.6 -2,-0.3 5,-0.2 0.837 65.5-129.2 74.1 108.0 15.9 -11.6 21.3 60 64 A S H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.826 105.3 42.2 -55.4 -40.8 14.4 -8.4 22.7 61 65 A L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.841 111.5 54.1 -81.8 -32.6 10.8 -8.9 21.3 62 66 A A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.930 114.7 43.6 -59.0 -44.9 10.7 -12.7 22.1 63 67 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.937 112.2 51.8 -65.2 -49.7 11.6 -11.6 25.7 64 68 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.895 111.3 47.9 -52.3 -45.3 9.2 -8.7 25.7 65 69 A R H X S+ 0 0 8 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.885 110.4 52.0 -66.3 -40.4 6.4 -11.0 24.6 66 70 A Y H < S+ 0 0 40 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.896 109.4 49.2 -59.8 -44.5 7.3 -13.6 27.3 67 71 A L H < S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.771 112.9 47.4 -69.7 -25.9 7.2 -11.0 30.0 68 72 A T H >< S+ 0 0 3 -4,-1.3 3,-2.1 -5,-0.2 6,-0.5 0.527 79.7 123.1 -96.1 -8.8 3.8 -9.6 28.9 69 73 A K T 3< S+ 0 0 39 -4,-0.9 3,-0.1 -3,-0.5 4,-0.0 -0.324 87.2 5.4 -49.8 127.6 2.1 -13.1 28.6 70 74 A N T 3 S+ 0 0 133 1,-0.2 -1,-0.3 2,-0.0 2,-0.3 0.697 111.3 111.3 65.0 21.6 -1.0 -13.2 30.8 71 75 A T S X S- 0 0 39 -3,-2.1 3,-1.4 4,-0.1 -1,-0.2 -0.754 84.6-104.5-117.0 171.0 -0.6 -9.5 31.8 72 76 A D T 3 S+ 0 0 83 1,-0.3 4,-0.1 -2,-0.3 -4,-0.1 0.597 114.7 68.0 -71.5 -11.8 -2.7 -6.4 30.9 73 77 A L T 3 S+ 0 0 0 -5,-0.2 71,-1.8 70,-0.1 72,-0.3 0.606 86.5 84.3 -81.3 -15.3 -0.0 -5.3 28.4 74 78 A A S < S- 0 0 12 -3,-1.4 7,-0.1 -6,-0.5 -5,-0.0 -0.463 99.1 -85.0 -77.2 159.5 -0.9 -8.2 26.1 75 79 A G - 0 0 7 -2,-0.1 -1,-0.1 1,-0.1 6,-0.1 -0.361 33.2-129.9 -58.2 144.9 -3.8 -8.1 23.6 76 80 A N S S+ 0 0 94 65,-0.1 2,-0.3 -4,-0.1 -1,-0.1 0.640 89.9 30.8 -77.0 -17.5 -7.1 -9.0 25.2 77 81 A T S > S- 0 0 73 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.893 89.2-107.4-132.4 166.6 -7.9 -11.5 22.4 78 82 A E H > S+ 0 0 94 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.866 122.0 50.1 -65.2 -34.3 -5.8 -13.7 20.2 79 83 A M H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 109.7 51.0 -69.6 -37.9 -6.5 -11.5 17.2 80 84 A E H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.895 106.7 54.5 -62.8 -41.0 -5.5 -8.4 19.2 81 85 A Q H X S+ 0 0 52 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.870 107.0 52.0 -58.8 -36.8 -2.3 -10.2 20.2 82 86 A C H X S+ 0 0 1 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.914 110.1 47.4 -66.7 -42.9 -1.6 -10.7 16.4 83 87 A H H X S+ 0 0 39 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.903 111.0 52.0 -65.2 -39.4 -2.1 -7.0 15.8 84 88 A V H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.951 112.8 44.8 -58.1 -49.3 0.2 -6.2 18.7 85 89 A D H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.879 113.2 51.4 -61.7 -41.1 2.9 -8.5 17.3 86 90 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.915 110.0 47.1 -67.2 -45.4 2.4 -7.1 13.8 87 91 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.932 112.2 51.6 -61.8 -43.8 2.8 -3.5 14.8 88 92 A V H X S+ 0 0 0 -4,-2.2 4,-3.2 -5,-0.2 -2,-0.2 0.935 111.7 45.7 -59.3 -46.4 5.9 -4.3 16.8 89 93 A D H X S+ 0 0 5 -4,-2.4 4,-3.3 2,-0.2 -1,-0.2 0.862 109.9 54.8 -67.7 -34.6 7.5 -6.1 13.9 90 94 A T H X S+ 0 0 15 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.933 114.0 41.5 -62.4 -43.5 6.6 -3.3 11.5 91 95 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.938 116.6 48.3 -65.6 -46.6 8.4 -0.9 13.9 92 96 A D H X S+ 0 0 14 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.902 108.3 55.2 -64.6 -42.6 11.3 -3.3 14.5 93 97 A D H X S+ 0 0 57 -4,-3.3 4,-0.7 2,-0.2 -1,-0.2 0.917 111.3 44.5 -50.4 -50.7 11.7 -3.9 10.7 94 98 A F H >< S+ 0 0 19 -4,-1.6 3,-1.1 1,-0.2 4,-0.5 0.934 113.7 47.5 -66.6 -47.2 12.0 -0.2 10.0 95 99 A M H >< S+ 0 0 23 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.871 107.7 58.4 -62.2 -35.0 14.4 0.5 12.9 96 100 A S H 3< S+ 0 0 46 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.678 92.7 69.2 -68.4 -18.8 16.5 -2.5 11.8 97 101 A C T << S+ 0 0 68 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.739 78.6 96.6 -68.7 -25.2 17.0 -0.9 8.3 98 102 A F S < S- 0 0 6 -3,-1.2 2,-1.8 -4,-0.5 3,-0.2 -0.467 80.1-129.5 -71.7 135.9 19.2 1.8 9.8 99 103 A P > + 0 0 19 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.510 41.2 164.3 -83.5 69.9 23.0 1.1 9.5 100 104 A W T 3 S+ 0 0 78 -2,-1.8 -3,-0.0 1,-0.3 -4,-0.0 0.798 74.4 41.0 -58.6 -34.2 23.7 1.8 13.2 101 105 A A T 3 S+ 0 0 86 -3,-0.2 2,-0.3 7,-0.0 -1,-0.3 0.204 81.5 131.6-103.0 12.0 27.1 0.2 13.2 102 106 A E < - 0 0 63 -3,-1.6 6,-0.0 1,-0.1 0, 0.0 -0.516 38.0-166.8 -70.1 130.1 28.3 1.5 9.8 103 107 A K + 0 0 191 -2,-0.3 2,-0.7 5,-0.0 -1,-0.1 0.781 66.2 86.7 -90.4 -32.1 31.8 3.0 10.1 104 108 A K > - 0 0 138 1,-0.2 4,-2.4 2,-0.1 5,-0.1 -0.633 67.4-158.5 -71.6 112.7 31.9 4.8 6.8 105 109 A Q H > S+ 0 0 106 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.847 86.5 50.2 -69.1 -37.4 30.3 8.2 7.7 106 110 A D H > S+ 0 0 119 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.931 113.1 46.9 -65.9 -43.5 29.2 9.2 4.2 107 111 A V H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.921 113.7 49.2 -61.8 -44.5 27.5 5.8 3.6 108 112 A K H X S+ 0 0 53 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.933 111.8 48.0 -60.9 -46.4 25.9 6.1 7.0 109 113 A E H X S+ 0 0 119 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.877 110.8 50.3 -65.1 -40.4 24.6 9.6 6.4 110 114 A Q H X S+ 0 0 102 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.935 114.4 44.9 -61.3 -45.7 23.2 8.8 2.9 111 115 A M H X S+ 0 0 67 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.920 113.3 48.3 -69.0 -47.5 21.3 5.8 4.3 112 116 A F H X S+ 0 0 17 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.917 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-11,-0.8 4,-2.6 -2,-0.3 3,-0.3 0.851 66.9-126.6 75.3 106.9 3.5 -9.5 9.3 259 64 B S H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.822 106.9 41.8 -51.3 -41.8 4.4 -13.1 8.4 260 65 B L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.819 111.5 53.8 -81.5 -33.0 5.6 -14.1 11.9 261 66 B A H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.929 114.0 45.4 -59.1 -44.1 2.7 -12.3 13.8 262 67 B I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.938 112.1 49.7 -66.1 -47.8 0.4 -14.3 11.5 263 68 B A H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.894 112.1 48.5 -57.0 -44.1 2.3 -17.6 12.0 264 69 B R H X S+ 0 0 9 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.915 110.4 51.7 -64.7 -43.3 2.3 -17.1 15.8 265 70 B Y H >< S+ 0 0 41 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.934 110.5 47.7 -55.2 -51.1 -1.5 -16.4 15.8 266 71 B L H 3< S+ 0 0 13 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.764 113.0 49.2 -64.9 -27.8 -2.2 -19.5 13.8 267 72 B T H >< S+ 0 0 2 -4,-1.5 3,-2.2 -5,-0.2 6,-0.5 0.528 79.0 122.9 -92.3 -5.7 -0.1 -21.7 16.1 268 73 B K T << S+ 0 0 41 -3,-0.9 3,-0.1 -4,-0.8 -3,-0.0 -0.350 86.5 6.6 -57.8 131.4 -1.6 -20.4 19.4 269 74 B N T 3 S+ 0 0 134 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.574 110.3 111.4 67.5 13.2 -3.0 -23.3 21.4 270 75 B T S X S- 0 0 40 -3,-2.2 3,-1.3 4,-0.0 4,-0.3 -0.657 84.8-106.3-107.9 169.8 -1.6 -25.9 18.9 271 76 B D T 3 S+ 0 0 80 1,-0.2 4,-0.1 -2,-0.2 3,-0.1 0.421 114.9 66.2 -75.5 2.7 1.2 -28.4 19.3 272 77 B L T 3 S+ 0 0 0 -5,-0.3 70,-2.2 69,-0.1 71,-0.3 0.585 85.1 73.7 -92.9 -11.9 3.5 -26.2 17.2 273 78 B A S < S- 0 0 12 -3,-1.3 10,-0.2 -6,-0.5 -2,-0.1 0.764 108.9 -88.2 -73.8 -31.7 3.6 -23.2 19.7 274 79 B G - 0 0 6 -4,-0.3 -1,-0.2 66,-0.2 6,-0.1 -0.130 32.1-108.2 114.6 138.1 5.9 -24.6 22.4 275 80 B N S S+ 0 0 97 -2,-0.1 2,-0.3 64,-0.1 -1,-0.1 0.641 96.0 22.5 -78.6 -20.7 4.8 -26.6 25.4 276 81 B T S > S- 0 0 72 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.883 86.7-101.0-135.4 170.6 5.3 -23.8 28.1 277 82 B E H > S+ 0 0 87 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.896 124.9 50.9 -59.9 -38.5 5.5 -20.1 28.2 278 83 B M H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 109.1 49.2 -65.8 -43.9 9.3 -20.4 28.4 279 84 B E H > S+ 0 0 32 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.877 106.7 57.2 -62.1 -37.3 9.4 -22.7 25.4 280 85 B Q H X S+ 0 0 47 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.874 106.3 50.0 -60.8 -36.6 7.3 -20.2 23.5 281 86 B C H X S+ 0 0 2 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.944 110.0 49.5 -64.1 -48.5 10.0 -17.6 24.2 282 87 B H H X S+ 0 0 32 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.908 111.4 49.7 -56.8 -44.6 12.7 -20.0 22.9 283 88 B V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.941 112.4 47.0 -59.4 -48.7 10.6 -20.6 19.7 284 89 B D H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.876 111.8 51.4 -60.9 -40.5 10.1 -16.9 19.2 285 90 B A H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.924 110.9 46.7 -65.0 -46.5 13.8 -16.2 19.7 286 91 B I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.933 112.8 50.6 -61.9 -43.6 14.9 -18.8 17.3 287 92 B V H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.921 112.2 46.4 -61.7 -41.7 12.4 -17.5 14.7 288 93 B D H X S+ 0 0 6 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.868 109.5 54.4 -70.4 -34.3 13.6 -13.9 15.1 289 94 B T H X S+ 0 0 13 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.924 113.7 42.5 -63.2 -43.1 17.3 -14.9 14.9 290 95 B L H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.939 115.3 48.9 -66.6 -46.4 16.5 -16.7 11.6 291 96 B D H X S+ 0 0 12 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.894 107.7 56.1 -62.1 -41.0 14.3 -13.8 10.3 292 97 B D H X S+ 0 0 61 -4,-3.0 4,-0.6 2,-0.2 -1,-0.2 0.923 111.1 43.6 -53.4 -48.5 17.0 -11.2 11.3 293 98 B F H >X S+ 0 0 21 -4,-1.6 3,-1.1 1,-0.2 4,-0.5 0.937 115.0 46.7 -67.6 -47.9 19.6 -13.0 9.1 294 99 B M H >< S+ 0 0 22 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.855 109.4 56.1 -62.6 -35.6 17.3 -13.6 6.1 295 100 B S H 3< S+ 0 0 44 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.615 92.9 70.8 -73.3 -13.0 16.1 -10.0 6.3 296 101 B C H << S+ 0 0 72 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.769 77.8 96.5 -69.3 -27.9 19.8 -8.7 6.0 297 102 B F S << S- 0 0 6 -3,-0.9 2,-1.9 -4,-0.5 3,-0.2 -0.436 82.4-128.0 -67.6 133.7 19.8 -9.9 2.4 298 103 B P > + 0 0 27 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.478 42.9 162.4 -82.0 71.3 19.1 -7.0 -0.0 299 104 B W T 3 S+ 0 0 82 -2,-1.9 -4,-0.0 1,-0.3 -3,-0.0 0.860 75.2 38.4 -60.6 -36.9 16.3 -8.9 -1.9 300 105 B A T 3 0 0 106 -3,-0.2 -1,-0.3 6,-0.0 6,-0.0 0.278 360.0 360.0-100.1 9.0 14.9 -5.7 -3.4 301 106 B E < 0 0 127 -3,-1.3 5,-0.1 5,-0.0 4,-0.0 -0.442 360.0 360.0 -67.2 360.0 18.1 -3.8 -4.2 302 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 303 109 B Q 0 0 151 0, 0.0 2,-2.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 179.3 23.0 -5.5 -9.1 304 110 B D > + 0 0 139 1,-0.3 4,-2.2 4,-0.0 5,-0.1 -0.415 360.0 45.9 73.2 -68.6 26.7 -5.3 -8.2 305 111 B V H > S+ 0 0 84 -2,-2.4 4,-2.2 2,-0.2 -1,-0.3 0.871 115.3 49.3 -65.5 -38.9 26.0 -4.0 -4.7 306 112 B K H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.940 112.4 46.7 -63.6 -49.4 23.3 -6.7 -4.4 307 113 B E H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.887 112.5 50.8 -60.6 -41.6 25.7 -9.4 -5.5 308 114 B Q H X S+ 0 0 99 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.905 110.0 48.0 -64.5 -45.3 28.4 -8.1 -3.2 309 115 B M H X S+ 0 0 55 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.866 111.7 50.4 -66.3 -38.2 26.2 -8.1 -0.1 310 116 B F H X S+ 0 0 7 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.946 111.2 49.1 -61.5 -48.3 24.9 -11.6 -0.8 311 117 B N H X S+ 0 0 65 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.920 112.9 47.0 -59.3 -45.5 28.4 -12.9 -1.2 312 118 B E H X>S+ 0 0 71 -4,-2.5 4,-2.8 2,-0.2 5,-0.7 0.949 114.8 45.6 -59.8 -51.5 29.5 -11.2 2.1 313 119 B L H X>S+ 0 0 12 -4,-2.5 5,-2.4 1,-0.2 4,-1.2 0.921 118.4 41.9 -60.2 -46.5 26.5 -12.5 4.1 314 120 B L H <5S+ 0 0 9 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.876 123.8 35.6 -70.7 -38.8 26.7 -16.1 2.7 315 121 B T H <5S+ 0 0 82 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.890 130.4 25.3 -84.0 -41.0 30.5 -16.4 2.9 316 122 B Y H <5S+ 0 0 167 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.713 132.1 25.8 -99.0 -28.4 31.4 -14.4 6.1 317 123 B N T X S+ 0 0 53 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.882 107.9 52.8 -59.6 -34.8 28.7 -20.2 8.6 320 126 B H H > S+ 0 0 115 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.912 110.7 46.8 -62.7 -45.5 28.8 -18.4 12.0 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