==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/ISOMERASE INHIBITOR 27-MAR-12 4EDY . COMPND 2 MOLECULE: HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.E.DAY,A.THORARENSEN,J.I.TRUJILLO,J.R.KIEFER . 395 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 74.9 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 . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 45.1 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 1 1 0 0 0 6 0 0 4 2 0 0 2 0 0 0 2 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 99 0, 0.0 2,-1.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 153.4 12.2 -12.9 39.7 2 3 A N - 0 0 137 26,-0.1 54,-1.5 2,-0.0 2,-0.5 -0.747 360.0-169.1 -82.8 97.9 15.8 -11.6 39.7 3 4 A Y E -A 55 0A 26 -2,-1.1 26,-2.7 24,-0.4 2,-0.4 -0.790 13.4-178.9 -94.9 129.2 15.8 -9.7 36.4 4 5 A K E -Ab 54 29A 62 50,-2.1 50,-2.9 -2,-0.5 2,-0.5 -0.952 8.2-163.7-127.7 113.1 19.1 -8.4 34.9 5 6 A L E -Ab 53 30A 0 24,-2.6 26,-2.3 -2,-0.4 2,-0.5 -0.820 5.3-164.3 -94.3 128.2 18.9 -6.5 31.6 6 7 A T E +Ab 52 31A 9 46,-2.4 46,-1.5 -2,-0.5 2,-0.3 -0.968 29.4 123.3-116.0 126.8 22.2 -6.1 29.7 7 8 A Y E - b 0 32A 12 24,-1.8 26,-2.2 -2,-0.5 5,-0.0 -0.940 59.7 -73.5-161.1 174.6 22.5 -3.5 26.9 8 9 A F - 0 0 41 -2,-0.3 2,-2.2 24,-0.2 26,-0.1 -0.283 59.8 -88.9 -67.2 164.7 24.6 -0.5 25.8 9 10 A N S S+ 0 0 85 24,-0.5 2,-0.3 23,-0.1 189,-0.2 -0.543 99.3 92.3 -74.5 75.0 24.2 2.9 27.5 10 11 A M S S- 0 0 52 -2,-2.2 4,-0.1 1,-0.2 185,-0.0 -0.957 82.1-122.8-156.0 159.9 21.5 3.8 25.0 11 12 A R S >> S+ 0 0 18 187,-2.2 4,-1.5 -2,-0.3 3,-1.0 0.973 74.5 121.2 -67.0 -65.2 17.7 3.7 24.8 12 13 A G G >4 S- 0 0 27 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.035 86.8 -21.1 47.1-140.8 18.1 1.7 21.6 13 14 A R G 34 S+ 0 0 101 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.581 134.7 61.0 -80.2 -11.2 16.5 -1.8 21.4 14 15 A A G X> S+ 0 0 0 -3,-1.0 4,-1.9 1,-0.2 3,-0.8 0.692 81.7 82.6 -84.9 -20.7 16.4 -2.2 25.2 15 16 A E H S+ 0 0 0 -4,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.905 109.2 46.3 -58.2 -39.7 10.9 -1.1 25.1 17 18 A I H <> S+ 0 0 0 -3,-0.8 4,-2.5 -4,-0.3 -2,-0.2 0.921 110.7 52.8 -66.1 -44.1 11.8 -3.6 27.9 18 19 A R H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.876 108.8 49.9 -60.2 -39.5 12.7 -0.7 30.2 19 20 A Y H X S+ 0 0 2 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.912 110.6 49.8 -63.1 -44.7 9.3 0.9 29.6 20 21 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.913 110.2 48.9 -64.7 -44.8 7.5 -2.3 30.3 21 22 A F H <>S+ 0 0 1 -4,-2.5 5,-2.7 2,-0.2 4,-0.4 0.913 114.2 47.8 -58.1 -43.7 9.4 -2.9 33.6 22 23 A A H ><5S+ 0 0 26 -4,-1.9 3,-1.0 -5,-0.2 -2,-0.2 0.937 112.3 47.6 -63.4 -49.0 8.6 0.7 34.6 23 24 A Y H 3<5S+ 0 0 57 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.890 116.3 43.4 -61.0 -42.1 4.9 0.5 33.8 24 25 A L T 3<5S- 0 0 41 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.434 108.8-124.5 -84.3 -0.4 4.4 -2.9 35.6 25 26 A D T < 5 + 0 0 148 -3,-1.0 2,-0.5 -4,-0.4 -3,-0.2 0.923 54.1 158.5 54.8 49.1 6.5 -1.6 38.6 26 27 A I < - 0 0 51 -5,-2.7 -1,-0.2 -6,-0.1 2,-0.1 -0.919 38.9-129.8-106.4 121.7 8.9 -4.6 38.3 27 28 A Q + 0 0 177 -2,-0.5 -24,-0.4 -26,-0.0 2,-0.3 -0.459 38.9 158.1 -69.6 139.4 12.3 -4.2 39.8 28 29 A Y - 0 0 55 -2,-0.1 2,-0.7 -26,-0.1 -24,-0.2 -0.981 45.7-105.7-155.6 158.9 15.3 -5.1 37.6 29 30 A E E -b 4 0A 103 -26,-2.7 -24,-2.6 -2,-0.3 2,-1.5 -0.834 26.4-154.3 -89.7 112.8 19.0 -4.4 37.2 30 31 A D E -b 5 0A 45 -2,-0.7 2,-0.6 -26,-0.2 -24,-0.1 -0.650 19.5-170.9 -87.4 81.9 19.5 -2.0 34.3 31 32 A H E -b 6 0A 64 -26,-2.3 -24,-1.8 -2,-1.5 2,-0.6 -0.673 7.4-168.4 -84.1 119.5 23.1 -3.1 33.4 32 33 A R E -b 7 0A 47 -2,-0.6 -24,-0.2 -26,-0.2 -23,-0.1 -0.938 18.0-136.0-110.4 117.9 24.8 -0.9 30.9 33 34 A I - 0 0 13 -26,-2.2 -24,-0.5 -2,-0.6 2,-0.3 -0.214 13.9-112.5 -75.3 160.7 28.0 -2.3 29.5 34 35 A E > - 0 0 127 1,-0.1 3,-0.8 -26,-0.1 4,-0.4 -0.727 18.5-131.8 -89.5 141.6 31.3 -0.5 28.9 35 36 A Q G > S+ 0 0 132 -2,-0.3 3,-0.7 1,-0.3 -1,-0.1 0.795 109.1 56.1 -64.9 -29.5 32.4 -0.0 25.3 36 37 A A G 3 S+ 0 0 72 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.752 107.6 49.8 -70.5 -25.6 35.9 -1.3 26.1 37 38 A D G <> S+ 0 0 56 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.419 87.0 89.1 -92.1 -0.7 34.2 -4.5 27.5 38 39 A W H <> S+ 0 0 43 -3,-0.7 4,-2.2 -4,-0.4 -1,-0.2 0.919 81.7 53.7 -67.7 -45.8 32.1 -5.2 24.4 39 40 A P H 4 S+ 0 0 92 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.844 116.3 41.0 -56.8 -33.8 34.6 -7.3 22.4 40 41 A E H >4 S+ 0 0 109 -4,-0.2 3,-0.9 2,-0.1 4,-0.2 0.926 115.3 47.8 -77.6 -49.3 35.0 -9.6 25.4 41 42 A I H >X S+ 0 0 45 -4,-2.4 3,-1.6 1,-0.2 4,-0.6 0.768 97.2 72.5 -66.3 -27.6 31.3 -9.8 26.5 42 43 A K G >< S+ 0 0 86 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.845 89.9 59.4 -57.3 -36.8 30.1 -10.5 22.9 43 44 A S G <4 S+ 0 0 104 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.611 101.3 55.1 -71.3 -13.5 31.5 -14.1 23.0 44 45 A T G <4 S+ 0 0 109 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.633 86.1 98.9 -90.1 -17.6 29.3 -15.0 26.0 45 46 A L S << S- 0 0 13 -3,-0.9 3,-0.3 -4,-0.6 5,-0.1 -0.411 80.4-123.0 -76.1 147.9 26.0 -14.0 24.3 46 47 A P S S+ 0 0 42 0, 0.0 286,-0.1 0, 0.0 -1,-0.1 0.848 109.1 9.6 -61.6 -36.8 23.8 -16.7 22.8 47 48 A F S S- 0 0 12 2,-0.3 3,-0.1 285,-0.0 281,-0.1 0.092 109.6-103.3-128.3 21.6 23.7 -15.1 19.4 48 49 A G S S+ 0 0 7 -3,-0.3 2,-0.3 1,-0.2 -5,-0.1 0.627 88.0 107.9 69.6 15.5 26.4 -12.3 19.9 49 50 A K - 0 0 141 2,-0.1 -2,-0.3 -7,-0.0 -1,-0.2 -0.858 57.7-108.4-125.5 156.1 23.7 -9.6 20.2 50 51 A I S S+ 0 0 18 -2,-0.3 2,-0.2 -3,-0.1 -43,-0.1 -0.924 74.5 64.6-125.5 156.2 22.2 -7.5 23.0 51 52 A P + 0 0 5 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.378 60.2 168.8 -75.3 154.8 19.8 -6.9 24.7 52 53 A I E -AC 6 61A 12 -46,-1.5 -46,-2.4 9,-0.2 2,-0.4 -0.930 21.6-150.0-122.2 155.8 19.7 -10.0 26.8 53 54 A L E -AC 5 60A 0 7,-2.3 7,-2.7 -2,-0.3 2,-0.5 -0.984 5.7-152.8-126.5 119.8 17.5 -10.5 29.9 54 55 A E E -AC 4 59A 63 -50,-2.9 -50,-2.1 -2,-0.4 2,-0.5 -0.819 12.7-174.7 -91.9 126.0 18.7 -12.9 32.6 55 56 A V E > -AC 3 58A 10 3,-3.3 3,-1.2 -2,-0.5 -52,-0.2 -0.924 69.4 -34.7-126.2 102.9 15.8 -14.3 34.7 56 57 A D T 3 S- 0 0 108 -54,-1.5 -1,-0.1 -2,-0.5 3,-0.1 0.912 127.4 -39.7 50.0 51.1 16.8 -16.5 37.7 57 58 A G T 3 S+ 0 0 78 -55,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.465 117.5 112.3 82.9 2.3 19.9 -17.9 35.9 58 59 A L E < -C 55 0A 73 -3,-1.2 -3,-3.3 2,-0.0 2,-0.5 -0.930 59.8-139.9-110.9 130.8 18.2 -18.2 32.5 59 60 A T E -C 54 0A 63 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.786 18.1-173.1 -95.8 126.1 19.3 -16.0 29.6 60 61 A L E -C 53 0A 0 -7,-2.7 -7,-2.3 -2,-0.5 2,-0.3 -0.840 4.8-172.3-110.8 153.4 16.7 -14.6 27.2 61 62 A H E +C 52 0A 11 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.848 42.1 66.1-139.3 175.1 17.4 -12.7 24.0 62 63 A Q > - 0 0 29 -11,-0.8 4,-2.4 -2,-0.3 5,-0.2 0.837 66.0-128.1 70.6 110.7 15.6 -10.6 21.3 63 64 A S H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.844 105.2 41.8 -57.6 -43.2 14.1 -7.4 22.5 64 65 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.814 112.0 54.8 -79.3 -30.9 10.6 -7.9 21.2 65 66 A A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.919 113.8 43.2 -61.2 -44.3 10.4 -11.6 22.2 66 67 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.930 112.5 52.2 -66.8 -47.3 11.3 -10.4 25.7 67 68 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.903 110.7 48.4 -55.2 -44.1 8.9 -7.5 25.6 68 69 A R H X S+ 0 0 7 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.895 110.9 50.9 -64.8 -41.6 6.1 -9.9 24.5 69 70 A Y H >< S+ 0 0 38 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.913 110.3 48.9 -60.4 -45.7 6.9 -12.3 27.3 70 71 A L H 3< S+ 0 0 12 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.753 112.5 47.9 -69.0 -26.2 6.9 -9.6 29.9 71 72 A T H >< S+ 0 0 2 -4,-1.4 3,-1.8 -5,-0.2 6,-0.5 0.507 80.6 122.9 -94.7 -6.4 3.5 -8.2 28.8 72 73 A K T << S+ 0 0 36 -4,-0.8 3,-0.1 -3,-0.7 4,-0.0 -0.344 85.5 6.4 -54.8 130.7 1.8 -11.6 28.6 73 74 A N T 3 S+ 0 0 135 1,-0.2 -1,-0.3 2,-0.0 2,-0.3 0.731 110.8 110.1 64.0 25.5 -1.3 -11.7 30.8 74 75 A T S X S- 0 0 38 -3,-1.8 3,-1.4 4,-0.1 -1,-0.2 -0.786 85.4-104.9-120.7 169.6 -1.0 -7.9 31.6 75 76 A D T 3 S+ 0 0 78 -2,-0.3 4,-0.1 1,-0.3 -4,-0.1 0.610 115.8 68.5 -70.5 -12.0 -3.1 -4.9 30.5 76 77 A L T 3 S+ 0 0 0 -5,-0.2 71,-1.7 70,-0.1 72,-0.3 0.646 86.9 84.4 -78.9 -17.4 -0.3 -4.0 28.0 77 78 A A S < S- 0 0 12 -3,-1.4 7,-0.1 -6,-0.5 -5,-0.0 -0.465 99.3 -87.8 -76.4 156.3 -1.2 -7.0 26.0 78 79 A G - 0 0 6 -2,-0.1 -1,-0.1 1,-0.1 6,-0.1 -0.344 32.9-128.4 -58.2 147.3 -4.0 -6.9 23.4 79 80 A N S S+ 0 0 101 65,-0.1 2,-0.3 -4,-0.1 -1,-0.1 0.747 89.8 28.5 -75.9 -26.7 -7.4 -7.7 24.9 80 81 A T S > S- 0 0 71 1,-0.1 4,-2.3 0, 0.0 5,-0.1 -0.800 89.4-105.7-124.4 171.5 -8.2 -10.4 22.3 81 82 A E H > S+ 0 0 89 -2,-0.3 4,-1.5 2,-0.2 -3,-0.1 0.866 122.6 50.0 -66.2 -36.9 -6.0 -12.7 20.2 82 83 A M H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 109.9 50.9 -68.4 -38.4 -6.7 -10.6 17.1 83 84 A E H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.908 107.0 53.9 -62.9 -42.5 -5.7 -7.5 19.1 84 85 A Q H X S+ 0 0 51 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.858 107.6 51.5 -58.6 -36.3 -2.5 -9.2 20.1 85 86 A C H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.916 108.7 50.2 -65.1 -43.8 -1.9 -9.8 16.4 86 87 A H H X S+ 0 0 41 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.900 110.5 49.9 -61.0 -42.2 -2.4 -6.1 15.7 87 88 A V H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.950 112.2 47.1 -60.2 -51.2 0.1 -5.2 18.4 88 89 A D H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.879 112.6 50.3 -56.6 -42.0 2.7 -7.6 17.1 89 90 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.913 111.1 46.6 -67.7 -44.7 2.2 -6.3 13.5 90 91 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.924 113.5 50.0 -62.1 -43.9 2.5 -2.6 14.4 91 92 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.920 112.0 46.8 -62.5 -44.2 5.6 -3.4 16.5 92 93 A D H X S+ 0 0 5 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.861 109.9 53.9 -67.7 -34.2 7.3 -5.4 13.6 93 94 A T H X S+ 0 0 18 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.925 113.1 43.0 -64.9 -44.2 6.4 -2.7 11.1 94 95 A L H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.942 115.6 49.3 -61.9 -47.8 8.2 -0.1 13.3 95 96 A D H X S+ 0 0 13 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.872 106.6 56.0 -63.7 -39.0 11.1 -2.5 14.0 96 97 A D H X S+ 0 0 60 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.922 111.4 44.1 -55.5 -46.6 11.5 -3.3 10.3 97 98 A F H >X S+ 0 0 20 -4,-1.5 3,-1.1 1,-0.2 4,-0.5 0.919 113.3 47.9 -70.1 -45.5 11.9 0.4 9.5 98 99 A M H >< S+ 0 0 22 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.862 108.5 57.2 -63.6 -34.4 14.3 1.2 12.4 99 100 A S H 3< S+ 0 0 45 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.626 93.1 69.6 -71.8 -15.3 16.4 -1.9 11.5 100 101 A C H << S+ 0 0 70 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.777 77.5 97.4 -70.3 -29.2 16.9 -0.5 7.9 101 102 A F S << S- 0 0 7 -3,-0.9 2,-2.0 -4,-0.5 3,-0.2 -0.408 81.1-127.0 -67.0 134.8 19.1 2.3 9.2 102 103 A P > + 0 0 21 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.491 41.9 165.2 -81.2 72.6 22.9 1.6 8.9 103 104 A W T 3 S+ 0 0 76 -2,-2.0 -2,-0.0 1,-0.3 -3,-0.0 0.779 74.2 40.7 -62.4 -30.6 23.6 2.4 12.5 104 105 A A T 3 S+ 0 0 95 -3,-0.2 -1,-0.3 7,-0.0 2,-0.2 0.267 80.0 134.5-103.7 9.0 27.1 0.8 12.5 105 106 A E < - 0 0 64 -3,-1.4 6,-0.0 1,-0.2 0, 0.0 -0.433 37.7-165.1 -64.4 127.9 28.2 2.0 9.1 106 107 A K + 0 0 194 -2,-0.2 2,-0.7 5,-0.0 -1,-0.2 0.791 68.5 84.9 -84.5 -33.4 31.8 3.3 9.3 107 108 A K > - 0 0 137 1,-0.2 4,-2.2 2,-0.1 5,-0.1 -0.645 67.4-160.2 -74.8 111.0 31.8 5.2 6.0 108 109 A Q H > S+ 0 0 106 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.847 85.4 51.2 -67.9 -39.1 30.3 8.5 6.9 109 110 A D H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 112.9 46.8 -65.2 -39.7 29.2 9.6 3.4 110 111 A V H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.899 113.0 50.0 -66.5 -41.9 27.4 6.3 2.8 111 112 A K H X S+ 0 0 53 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.929 111.5 47.3 -62.2 -47.7 25.7 6.5 6.3 112 113 A E H X S+ 0 0 123 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.866 111.8 50.4 -65.0 -38.4 24.5 10.1 5.7 113 114 A Q H X S+ 0 0 105 -4,-1.9 4,-2.2 2,-0.2 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2.1 250 51 B I S S+ 0 0 21 -2,-0.3 2,-0.2 11,-0.1 -43,-0.1 -0.884 79.2 59.0-124.6 156.7 2.6 -8.5 1.7 251 52 B P + 0 0 4 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.379 63.7 169.6 -73.4 154.3 1.9 -11.2 2.9 252 53 B I E -DF 206 261B 3 -46,-1.5 -46,-2.4 9,-0.2 2,-0.5 -0.938 21.9-150.4-124.2 154.7 -1.5 -10.3 4.2 253 54 B L E -DF 205 260B 0 7,-2.1 7,-3.0 -2,-0.3 2,-0.6 -0.985 6.5-150.1-125.5 119.2 -4.1 -12.6 5.6 254 55 B E E -DF 204 259B 52 -50,-3.0 -50,-1.9 -2,-0.5 2,-0.6 -0.817 11.4-167.2 -87.9 118.7 -7.7 -11.8 5.3 255 56 B V E > S-DF 203 258B 9 3,-2.9 3,-1.7 -2,-0.6 -52,-0.2 -0.923 78.5 -27.5-110.8 105.4 -9.6 -13.3 8.2 256 57 B D T 3 S- 0 0 98 -54,-2.5 -1,-0.2 -2,-0.6 -53,-0.1 0.904 129.3 -48.2 47.1 44.7 -13.4 -13.1 7.5 257 58 B G T 3 S+ 0 0 53 -55,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.373 112.8 121.9 84.3 -4.3 -12.5 -10.1 5.4 258 59 B L E < -F 255 0B 92 -3,-1.7 -3,-2.9 1,-0.0 2,-0.7 -0.836 61.4-131.2 -94.9 123.2 -10.4 -8.4 8.0 259 60 B T E -F 254 0B 51 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.641 24.4-174.8 -85.6 113.2 -6.8 -7.7 6.7 260 61 B L E -F 253 0B 1 -7,-3.0 -7,-2.1 -2,-0.7 2,-0.2 -0.756 7.8-167.5 -96.0 151.2 -4.0 -8.8 9.0 261 62 B H E +F 252 0B 24 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.808 44.0 65.4-133.5 175.1 -0.3 -8.0 8.0 262 63 B Q > - 0 0 28 -11,-0.7 4,-2.6 -2,-0.2 3,-0.3 0.870 66.4-128.7 71.2 106.9 3.2 -9.0 9.1 263 64 B S H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.810 105.3 42.9 -54.4 -41.0 4.1 -12.6 8.4 264 65 B L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.814 111.9 53.4 -80.7 -31.8 5.4 -13.5 11.9 265 66 B A H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.917 113.8 44.7 -61.4 -44.5 2.6 -11.6 13.7 266 67 B I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.923 112.0 51.6 -65.8 -46.4 0.1 -13.7 11.6 267 68 B A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.918 111.1 47.7 -56.1 -46.8 2.1 -16.9 12.2 268 69 B R H X S+ 0 0 7 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.898 110.3 52.8 -62.9 -42.0 2.0 -16.3 16.0 269 70 B Y H >< S+ 0 0 36 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.913 110.0 47.9 -57.5 -46.1 -1.7 -15.5 15.9 270 71 B L H 3< S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.770 112.6 49.0 -68.9 -27.5 -2.4 -18.8 14.0 271 72 B T H >< S+ 0 0 2 -4,-1.5 3,-2.1 -5,-0.2 6,-0.5 0.496 79.7 124.9 -92.1 -5.0 -0.3 -20.9 16.5 272 73 B K T << S+ 0 0 38 -4,-0.8 3,-0.1 -3,-0.7 -3,-0.0 -0.343 85.3 6.0 -55.9 130.0 -1.9 -19.3 19.6 273 74 B N T 3 S+ 0 0 136 1,-0.3 -1,-0.3 -2,-0.0 2,-0.2 0.663 110.9 112.4 65.9 19.4 -3.3 -22.2 21.8 274 75 B T S X S- 0 0 39 -3,-2.1 3,-1.3 4,-0.1 4,-0.4 -0.724 84.0-107.0-113.1 169.0 -1.7 -24.8 19.5 275 76 B D T 3 S+ 0 0 73 -2,-0.2 4,-0.1 1,-0.2 3,-0.1 0.482 114.5 65.7 -73.0 -3.5 1.1 -27.3 20.1 276 77 B L T 3 S+ 0 0 0 -5,-0.3 70,-2.1 1,-0.1 71,-0.3 0.593 87.0 70.5 -89.8 -12.4 3.3 -25.2 17.8 277 78 B A S < S- 0 0 11 -3,-1.3 10,-0.2 -6,-0.5 11,-0.2 0.785 112.1 -87.9 -77.2 -30.0 3.4 -22.2 20.1 278 79 B G - 0 0 6 -4,-0.4 -1,-0.2 66,-0.2 6,-0.1 -0.147 30.2-107.9 116.5 138.7 5.6 -23.5 22.9 279 80 B N S S+ 0 0 94 -2,-0.1 2,-0.3 -4,-0.1 -1,-0.1 0.703 96.6 24.2 -76.1 -23.1 4.4 -25.5 26.0 280 81 B T S > S- 0 0 73 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.854 86.8-101.1-133.5 169.9 4.9 -22.7 28.5 281 82 B E H > S+ 0 0 96 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 0.877 124.6 48.8 -58.0 -40.0 5.2 -18.8 28.6 282 83 B M H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 109.3 50.9 -69.0 -42.1 9.0 -19.1 28.7 283 84 B E H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.886 106.3 56.2 -60.7 -39.7 9.1 -21.6 25.8 284 85 B Q H X S+ 0 0 50 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.868 106.7 50.4 -59.7 -37.4 6.9 -19.2 23.8 285 86 B C H X S+ 0 0 2 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.927 109.9 49.2 -64.4 -47.1 9.6 -16.5 24.4 286 87 B H H X S+ 0 0 32 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.887 112.3 49.0 -58.7 -41.6 12.4 -18.9 23.3 287 88 B V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.941 111.6 48.4 -63.1 -49.5 10.3 -19.7 20.1 288 89 B D H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.879 111.6 51.2 -56.9 -40.8 9.7 -16.0 19.4 289 90 B A H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.918 109.4 47.5 -68.0 -45.5 13.4 -15.2 19.9 290 91 B I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.919 111.9 52.3 -61.3 -42.4 14.7 -17.9 17.5 291 92 B V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.937 112.0 44.6 -58.4 -48.9 12.1 -16.8 14.9 292 93 B D H X S+ 0 0 5 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.856 110.2 55.2 -66.9 -35.7 13.3 -13.2 15.1 293 94 B T H X S+ 0 0 13 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.934 113.3 42.1 -61.0 -44.9 17.0 -14.2 15.1 294 95 B L H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.944 115.8 48.9 -64.1 -48.5 16.4 -16.1 11.8 295 96 B D H X S+ 0 0 13 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.846 106.2 57.8 -63.2 -36.4 14.2 -13.3 10.4 296 97 B D H X S+ 0 0 64 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.930 109.7 44.1 -57.3 -47.7 16.8 -10.6 11.3 297 98 B F H >X S+ 0 0 24 -4,-1.5 3,-1.2 1,-0.2 4,-0.5 0.933 113.5 49.0 -65.6 -46.7 19.4 -12.4 9.2 298 99 B M H >< S+ 0 0 18 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.852 108.2 55.7 -62.9 -33.7 17.1 -13.0 6.2 299 100 B S H 3< S+ 0 0 47 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.624 93.1 70.9 -74.4 -14.4 16.0 -9.4 6.3 300 101 B C H << S+ 0 0 75 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.758 77.1 95.9 -69.9 -26.6 19.6 -8.2 6.0 301 102 B F S << S- 0 0 5 -3,-0.9 2,-2.1 -4,-0.5 3,-0.2 -0.490 82.8-127.5 -69.5 130.1 19.7 -9.4 2.4 302 103 B P > + 0 0 28 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.517 40.8 166.8 -78.3 77.1 19.0 -6.6 -0.1 303 104 B W T 3 S+ 0 0 90 -2,-2.1 -3,-0.0 1,-0.3 -4,-0.0 0.771 74.8 37.1 -65.6 -28.9 16.3 -8.5 -1.9 304 105 B A T 3 0 0 107 -3,-0.2 -1,-0.3 6,-0.0 6,-0.0 0.055 360.0 360.0-114.2 23.8 15.0 -5.4 -3.8 305 106 B E < 0 0 126 -3,-1.2 5,-0.1 4,-0.0 0, 0.0 -0.571 360.0 360.0 -75.8 360.0 18.3 -3.7 -4.5 306 ! 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 0.0 307 109 B Q 0 0 141 0, 0.0 2,-2.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-164.5 23.0 -5.4 -9.4 308 110 B D > + 0 0 140 1,-0.3 4,-2.1 2,-0.1 5,-0.1 -0.407 360.0 44.9 67.2 -73.9 26.7 -5.1 -8.4 309 111 B V H > S+ 0 0 80 -2,-2.4 4,-2.1 2,-0.2 -1,-0.3 0.843 114.3 50.9 -67.4 -34.5 26.0 -3.8 -4.9 310 112 B K H > S+ 0 0 49 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.935 111.2 46.8 -66.2 -48.6 23.3 -6.5 -4.4 311 113 B E H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.877 113.2 50.0 -61.6 -39.7 25.7 -9.3 -5.5 312 114 B Q H X S+ 0 0 103 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.923 111.5 47.2 -64.6 -46.3 28.4 -8.0 -3.3 313 115 B M H X S+ 0 0 60 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.859 111.1 51.9 -66.6 -38.2 26.2 -7.8 -0.2 314 116 B F H X S+ 0 0 10 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.930 110.9 47.2 -61.5 -48.1 24.8 -11.3 -0.8 315 117 B N H X S+ 0 0 73 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.886 112.5 49.8 -63.5 -40.4 28.3 -12.8 -1.0 316 118 B E H X>S+ 0 0 68 -4,-2.1 4,-2.7 2,-0.2 5,-0.6 0.939 113.5 45.4 -61.3 -49.4 29.4 -11.0 2.1 317 119 B L H X>S+ 0 0 14 -4,-2.3 5,-2.3 1,-0.2 4,-1.2 0.916 118.0 42.5 -61.9 -45.7 26.4 -12.1 4.1 318 120 B L H <5S+ 0 0 8 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.880 124.4 34.5 -70.2 -39.3 26.6 -15.7 2.9 319 121 B T H <5S+ 0 0 78 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.891 130.0 27.1 -85.2 -42.9 30.3 -16.1 3.2 320 122 B Y H <5S+ 0 0 162 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 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