==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-APR-10 3MSO . COMPND 2 MOLECULE: STEROID DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 271 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 25.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 0 0 0 0 0 0 0 3 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 2 1 0 0 2 0 2 0 2 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 1 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 T 0 0 124 0, 0.0 2,-2.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-103.1 -3.5 43.4 60.9 2 3 A S + 0 0 97 2,-0.1 0, 0.0 208,-0.0 0, 0.0 -0.475 360.0 163.8 -76.7 67.0 -3.1 41.9 64.4 3 4 A L - 0 0 22 -2,-2.4 2,-2.6 1,-0.1 70,-0.1 -0.741 48.7-114.3 -89.8 132.6 0.6 41.2 63.6 4 5 A P + 0 0 73 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.273 64.7 142.7 -74.5 61.7 2.9 40.5 66.7 5 6 A L - 0 0 25 -2,-2.6 74,-0.2 1,-0.1 73,-0.1 -0.648 58.9 -93.2 -98.1 156.5 5.0 43.7 66.4 6 7 A E > - 0 0 56 72,-2.5 4,-3.2 -2,-0.2 5,-0.2 -0.330 43.0-110.6 -63.2 145.4 6.5 46.0 69.1 7 8 A A H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.873 116.9 44.5 -47.3 -48.9 4.2 48.9 69.9 8 9 A N H > S+ 0 0 85 96,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 114.8 47.6 -64.8 -47.8 6.5 51.6 68.3 9 10 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.903 111.6 51.8 -58.4 -46.8 7.2 49.5 65.1 10 11 A A H X S+ 0 0 40 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.857 108.4 51.6 -59.0 -39.9 3.4 48.8 64.8 11 12 A A H X S+ 0 0 48 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.897 112.1 45.1 -66.0 -42.5 2.7 52.6 65.1 12 13 A T H X S+ 0 0 14 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.909 113.2 50.4 -66.7 -45.1 5.2 53.4 62.3 13 14 A L H X S+ 0 0 10 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.919 109.0 52.4 -59.1 -43.8 3.9 50.5 60.1 14 15 A A H X S+ 0 0 64 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.880 112.8 44.7 -57.6 -43.1 0.3 51.8 60.6 15 16 A E H X S+ 0 0 75 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.876 112.4 51.7 -68.9 -41.5 1.5 55.3 59.5 16 17 A W H X S+ 0 0 5 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.913 109.4 49.8 -61.5 -45.9 3.4 53.8 56.5 17 18 A H H X S+ 0 0 48 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.893 109.9 52.0 -60.4 -41.8 0.3 51.8 55.4 18 19 A G H X S+ 0 0 27 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.821 109.4 49.0 -62.6 -37.1 -1.8 55.1 55.6 19 20 A L H <>S+ 0 0 30 -4,-1.8 5,-2.1 2,-0.2 4,-0.5 0.904 112.4 47.3 -70.3 -43.7 0.7 57.0 53.4 20 21 A I H ><5S+ 0 0 25 -4,-2.2 3,-1.0 2,-0.2 -2,-0.2 0.916 110.9 51.6 -63.7 -44.5 0.8 54.2 50.8 21 22 A A H 3<5S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.860 112.5 45.7 -59.2 -40.0 -3.1 54.0 50.8 22 23 A R T 3<5S- 0 0 135 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.541 106.3-134.3 -80.0 -8.0 -3.2 57.8 50.3 23 24 A R T < 5S+ 0 0 71 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.834 72.4 116.1 54.2 36.6 -0.5 57.3 47.5 24 25 A D < + 0 0 87 -5,-2.1 3,-0.4 -6,-0.1 -2,-0.1 -0.857 41.3 179.0-140.2 98.3 1.2 60.4 49.2 25 26 A L > + 0 0 0 -2,-0.3 3,-0.7 1,-0.2 33,-0.1 -0.067 47.0 115.4 -91.2 31.2 4.7 59.8 50.9 26 27 A S T 3 S+ 0 0 88 1,-0.2 -1,-0.2 2,-0.1 32,-0.0 0.888 75.4 47.8 -71.0 -38.8 5.2 63.4 52.0 27 28 A G T > S+ 0 0 26 -3,-0.4 3,-1.0 1,-0.2 4,-0.3 0.447 86.2 104.9 -78.9 -0.6 5.1 62.8 55.8 28 29 A L G X> + 0 0 0 -3,-0.7 3,-1.8 1,-0.2 4,-0.6 0.745 61.0 65.2 -51.8 -46.9 7.6 59.8 55.4 29 30 A P G >4 S+ 0 0 59 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.791 94.1 64.7 -57.6 -22.6 11.0 61.3 56.7 30 31 A R G <4 S+ 0 0 178 -3,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.825 102.3 48.6 -62.0 -34.8 9.4 61.5 60.2 31 32 A L G <4 S+ 0 0 8 -3,-1.8 77,-3.1 -4,-0.3 2,-0.3 0.577 100.4 88.0 -81.0 -15.1 9.2 57.6 60.1 32 33 A L E << S-a 108 0A 9 -3,-0.7 77,-0.2 -4,-0.6 75,-0.1 -0.632 79.8-121.9 -91.7 147.1 12.8 57.2 59.0 33 34 A H E > - 0 0 49 75,-2.9 3,-2.5 -2,-0.3 17,-0.3 -0.590 34.9-115.5 -75.8 143.0 16.0 57.0 61.2 34 35 A P E 3 S+ 0 0 83 0, 0.0 16,-2.6 0, 0.0 -1,-0.1 0.863 119.1 40.4 -50.6 -35.0 18.3 59.9 60.1 35 36 A D E 3 S+ 0 0 121 14,-0.3 14,-0.1 15,-0.1 74,-0.1 0.014 87.8 155.1-102.2 24.8 20.8 57.3 58.9 36 37 A A E < - 0 0 0 -3,-2.5 13,-2.4 72,-0.2 2,-0.4 -0.147 32.7-140.7 -55.4 145.0 18.2 55.0 57.4 37 38 A V E -aB 110 48A 25 72,-2.0 74,-2.5 11,-0.2 2,-0.5 -0.915 8.6-156.7-115.2 137.2 19.3 52.7 54.6 38 39 A F E -aB 111 47A 0 9,-2.1 9,-2.9 -2,-0.4 2,-0.7 -0.978 4.7-158.6-115.7 122.4 17.5 51.7 51.4 39 40 A R E -a 112 0A 77 72,-2.6 74,-2.4 -2,-0.5 5,-0.1 -0.903 18.5-144.9-105.0 102.0 18.5 48.4 49.7 40 41 A S - 0 0 0 -2,-0.7 72,-0.0 5,-0.3 74,-0.0 -0.366 16.0-135.5 -64.5 142.3 17.5 48.6 46.1 41 42 A P S S+ 0 0 2 0, 0.0 211,-0.2 0, 0.0 74,-0.2 0.718 110.3 47.9 -67.8 -14.3 16.2 45.5 44.2 42 43 A X S S+ 0 0 61 209,-0.2 210,-0.6 208,-0.1 211,-0.4 0.787 112.3 41.8 -92.4 -39.1 18.5 46.8 41.4 43 44 A A - 0 0 30 208,-0.2 -3,-0.2 1,-0.1 -1,-0.1 -0.888 53.7-149.5-123.1 151.8 21.8 47.6 43.2 44 45 A H S S+ 0 0 84 -2,-0.3 -1,-0.1 -5,-0.1 -4,-0.0 0.932 82.9 83.9 -74.2 -54.9 24.2 46.2 45.9 45 46 A K S S- 0 0 70 1,-0.1 -5,-0.3 -6,-0.1 -2,-0.1 -0.357 82.0-135.4 -56.9 116.0 25.3 49.6 47.2 46 47 A P - 0 0 61 0, 0.0 2,-0.7 0, 0.0 -7,-0.2 -0.271 11.8-116.3 -72.8 163.9 22.7 50.8 49.7 47 48 A Y E -B 38 0A 82 -9,-2.9 -9,-2.1 6,-0.0 2,-0.4 -0.926 35.4-152.4-103.7 109.9 21.3 54.4 49.7 48 49 A A E +B 37 0A 71 -2,-0.7 4,-0.3 -11,-0.2 -11,-0.2 -0.740 47.6 36.7 -93.7 134.4 22.3 56.0 53.0 49 50 A G S > S- 0 0 13 -13,-2.4 4,-2.5 -2,-0.4 3,-0.4 0.352 78.2 -99.3 102.4 134.1 20.4 58.7 54.8 50 51 A A H > S+ 0 0 12 -16,-2.6 4,-2.7 -17,-0.3 5,-0.2 0.827 119.2 53.8 -47.5 -44.3 16.7 59.7 55.4 51 52 A P H > S+ 0 0 104 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.944 114.1 40.8 -58.9 -48.2 16.7 62.4 52.6 52 53 A V H > S+ 0 0 61 -3,-0.4 4,-2.1 -4,-0.3 -2,-0.2 0.914 116.8 50.1 -60.4 -50.5 18.0 59.9 49.9 53 54 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 -17,-0.2 -1,-0.2 0.890 110.0 49.7 -56.8 -47.3 15.7 57.0 51.3 54 55 A S H X S+ 0 0 12 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.906 111.4 50.4 -61.3 -41.6 12.6 59.2 51.3 55 56 A X H X S+ 0 0 109 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.872 112.1 44.9 -65.8 -43.2 13.3 60.3 47.7 56 57 A I H X S+ 0 0 9 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.933 112.5 51.3 -69.5 -44.9 13.8 56.8 46.3 57 58 A L H X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.911 110.4 49.4 -58.1 -40.7 10.7 55.5 48.1 58 59 A N H X S+ 0 0 56 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.843 112.9 48.4 -65.1 -36.1 8.7 58.4 46.6 59 60 A T H X S+ 0 0 29 -4,-1.5 4,-1.4 2,-0.2 3,-0.3 0.933 112.8 46.2 -68.2 -49.5 10.1 57.5 43.1 60 61 A V H X S+ 0 0 11 -4,-3.0 4,-2.1 1,-0.2 3,-0.3 0.902 108.6 56.9 -58.7 -47.6 9.3 53.8 43.5 61 62 A L H < S+ 0 0 38 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 109.9 45.7 -55.1 -35.4 5.8 54.6 44.8 62 63 A T H < S+ 0 0 79 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.785 110.5 53.4 -80.4 -27.2 5.1 56.6 41.5 63 64 A V H < S+ 0 0 7 -4,-1.4 27,-0.3 -3,-0.3 2,-0.2 0.899 91.4 82.7 -72.0 -45.7 6.6 53.9 39.2 64 65 A F < - 0 0 17 -4,-2.1 2,-0.3 25,-0.1 3,-0.3 -0.458 61.9-168.2 -66.7 125.1 4.4 51.0 40.6 65 66 A E E S+C 88 0A 62 23,-2.5 23,-2.0 -2,-0.2 -2,-0.0 -0.869 70.8 16.4-113.6 145.7 0.9 50.8 39.0 66 67 A D E S- 0 0 113 -2,-0.3 2,-0.2 21,-0.2 -1,-0.2 0.824 85.5-177.2 58.0 37.3 -1.9 48.5 40.4 67 68 A F E + 0 0 63 -3,-0.3 2,-0.3 -6,-0.1 20,-0.2 -0.473 6.7 169.7 -68.4 129.6 0.1 48.2 43.7 68 69 A A E -C 86 0A 38 18,-2.3 18,-2.3 -2,-0.2 2,-0.2 -0.992 27.7-134.3-146.9 135.0 -1.6 45.9 46.2 69 70 A Y E +C 85 0A 46 -2,-0.3 16,-0.3 16,-0.2 3,-0.1 -0.637 28.4 166.3 -88.1 147.3 -0.4 44.4 49.5 70 71 A H E + 0 0 96 14,-3.3 -1,-0.1 1,-0.5 2,-0.1 0.272 52.6 19.8-123.5-106.9 -0.9 40.8 50.3 71 72 A R E - 0 0 31 12,-0.1 13,-2.9 138,-0.0 -1,-0.5 -0.404 58.9-159.9 -73.4 145.5 0.7 38.7 53.1 72 73 A Q E -C 83 0A 44 11,-0.2 138,-0.8 -2,-0.1 2,-0.4 -0.999 11.3-173.8-128.1 120.9 2.3 40.5 56.0 73 74 A L E -CD 82 209A 0 9,-2.5 9,-2.6 -2,-0.4 2,-0.4 -0.950 7.1-157.0-122.2 138.7 4.9 38.6 58.1 74 75 A A E -CD 81 208A 1 134,-2.8 134,-2.6 -2,-0.4 7,-0.2 -0.913 17.8-123.4-117.9 143.7 6.6 39.6 61.3 75 76 A S E > - D 0 207A 7 5,-2.7 3,-1.9 -2,-0.4 132,-0.2 -0.427 34.6-107.4 -75.8 158.4 9.9 38.5 62.8 76 77 A A T 3 S+ 0 0 69 130,-0.7 -1,-0.1 1,-0.3 131,-0.1 0.721 118.7 59.5 -61.0 -23.5 9.8 37.0 66.4 77 78 A D T 3 S- 0 0 81 3,-0.0 -1,-0.3 -71,-0.0 -71,-0.1 0.488 105.4-128.8 -83.3 -3.3 11.5 40.1 67.9 78 79 A G S < S+ 0 0 3 -3,-1.9 -72,-2.5 2,-0.2 -69,-0.2 0.674 86.9 97.4 61.9 23.8 8.6 42.3 66.6 79 80 A R S S+ 0 0 74 -74,-0.2 23,-3.2 1,-0.1 2,-0.4 0.412 72.3 59.3-117.4 -7.6 11.1 44.7 64.9 80 81 A S E - E 0 101A 2 21,-0.2 -5,-2.7 -5,-0.2 2,-0.3 -0.987 58.3-177.7-128.9 141.8 11.1 43.4 61.3 81 82 A V E -CE 74 100A 0 19,-2.5 19,-1.9 -2,-0.4 2,-0.5 -0.957 15.8-153.6-134.7 145.2 8.2 43.1 58.8 82 83 A V E -CE 73 99A 0 -9,-2.6 -9,-2.5 -2,-0.3 2,-0.7 -0.999 9.8-164.9-121.2 120.6 7.8 41.7 55.3 83 84 A L E -CE 72 98A 0 15,-2.8 15,-2.1 -2,-0.5 2,-0.3 -0.950 11.6-151.6-109.7 103.5 5.0 43.3 53.2 84 85 A E E + E 0 97A 8 -13,-2.9 -14,-3.3 -2,-0.7 2,-0.3 -0.613 22.8 179.6 -73.5 135.0 4.3 41.1 50.2 85 86 A F E -CE 69 96A 0 11,-3.2 11,-2.9 -2,-0.3 2,-0.3 -0.962 27.6-148.7-138.8 159.9 2.9 43.0 47.2 86 87 A S E +CE 68 95A 31 -18,-2.3 -18,-2.3 -2,-0.3 2,-0.3 -0.869 34.9 143.6-116.7 149.8 1.8 42.7 43.5 87 88 A A E - E 0 94A 6 7,-1.6 7,-3.0 -2,-0.3 2,-0.3 -0.935 34.9-125.8-166.4-177.2 2.2 45.6 41.1 88 89 A R E -CE 65 93A 74 -23,-2.0 -23,-2.5 5,-0.3 2,-0.5 -0.991 2.1-156.1-147.5 145.9 3.0 46.4 37.4 89 90 A V E > S- E 0 92A 8 3,-2.6 3,-1.9 -2,-0.3 2,-0.4 -0.932 73.4 -59.6-122.9 96.3 5.6 48.5 35.6 90 91 A G T 3 S- 0 0 43 -2,-0.5 -25,-0.0 -27,-0.3 34,-0.0 -0.516 125.8 -6.5 69.0-114.5 4.0 49.3 32.2 91 92 A E T 3 S+ 0 0 177 -2,-0.4 2,-0.7 -3,-0.1 -1,-0.3 0.640 117.3 96.9 -81.2 -22.9 3.3 45.9 30.5 92 93 A R E < -E 89 0A 113 -3,-1.9 -3,-2.6 27,-0.1 2,-0.4 -0.663 59.4-157.2 -86.8 115.0 5.2 44.0 33.3 93 94 A E E -E 88 0A 130 -2,-0.7 -5,-0.3 -5,-0.2 2,-0.3 -0.699 26.3-177.9 -84.0 125.3 3.2 42.4 36.1 94 95 A L E -E 87 0A 10 -7,-3.0 -7,-1.6 -2,-0.4 2,-0.3 -0.747 25.2-145.0-124.2 175.5 5.5 41.9 39.0 95 96 A K E +EF 86 116A 37 21,-2.5 21,-2.6 -2,-0.3 2,-0.3 -0.970 30.8 158.0-136.3 142.2 5.7 40.5 42.6 96 97 A G E -EF 85 115A 0 -11,-2.9 -11,-3.2 -2,-0.3 2,-0.3 -0.967 30.3-128.6-159.3 175.8 7.7 41.9 45.4 97 98 A I E -EF 84 114A 0 17,-2.1 17,-1.4 -2,-0.3 2,-0.6 -0.996 6.5-152.6-135.7 141.3 8.5 42.5 49.1 98 99 A D E -EF 83 113A 7 -15,-2.1 -15,-2.8 -2,-0.3 2,-0.7 -0.983 20.1-167.5-106.2 111.9 9.1 45.5 51.3 99 100 A X E -EF 82 112A 0 13,-3.0 13,-2.5 -2,-0.6 2,-0.5 -0.918 11.4-175.2-107.4 99.0 11.4 44.1 54.1 100 101 A I E -EF 81 111A 0 -19,-1.9 -19,-2.5 -2,-0.7 2,-0.4 -0.891 14.7-164.8-105.3 127.1 11.4 46.8 56.8 101 102 A R E -EF 80 110A 90 9,-2.4 8,-2.6 -2,-0.5 9,-1.6 -0.929 11.2-164.6-106.4 128.0 13.5 46.7 60.0 102 103 A F E - F 0 108A 3 -23,-3.2 6,-0.2 -2,-0.4 -93,-0.1 -0.816 14.1-128.0-107.9 150.9 12.6 49.2 62.8 103 104 A D > - 0 0 29 4,-2.3 3,-1.7 -2,-0.3 -94,-0.1 -0.246 41.5 -86.1 -87.2-177.4 14.7 50.2 65.8 104 105 A D T 3 S+ 0 0 95 1,-0.3 -96,-0.2 2,-0.1 -95,-0.1 0.793 131.4 52.9 -57.1 -33.2 13.6 50.1 69.6 105 106 A D T 3 S- 0 0 99 -97,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.428 121.9-107.5 -85.9 -0.3 12.1 53.6 69.1 106 107 A G S < S+ 0 0 1 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.456 70.2 144.4 86.5 6.0 10.1 52.5 66.0 107 108 A R - 0 0 91 1,-0.1 -4,-2.3 -75,-0.1 2,-0.4 -0.558 58.8-111.8 -77.7 140.5 12.2 54.3 63.5 108 109 A I E +aF 32 102A 1 -77,-3.1 -75,-2.9 -6,-0.2 -6,-0.2 -0.612 44.1 166.2 -71.0 118.5 12.7 52.7 60.0 109 110 A V E + 0 0 38 -8,-2.6 -72,-2.0 -2,-0.4 2,-0.3 0.701 65.3 24.1-103.9 -33.6 16.5 51.8 60.0 110 111 A D E -aF 37 101A 8 -9,-1.6 -9,-2.4 -74,-0.2 2,-0.5 -0.996 57.6-176.3-140.6 127.3 16.6 49.4 56.9 111 112 A F E -aF 38 100A 0 -74,-2.5 -72,-2.6 -2,-0.3 2,-0.5 -0.939 11.7-179.3-128.2 106.1 14.2 49.2 54.0 112 113 A E E -aF 39 99A 2 -13,-2.5 -13,-3.0 -2,-0.5 2,-0.4 -0.928 6.1-165.9-112.7 125.8 15.0 46.4 51.5 113 114 A V E - 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0 0 59 0, 0.0 2,-0.7 0, 0.0 -7,-0.2 -0.261 13.3-118.2 -72.3 162.8 5.1 28.7 38.1 181 48 B Y E -H 172 0A 79 -9,-2.7 -9,-2.2 6,-0.0 2,-0.4 -0.930 34.7-152.4-104.4 110.2 6.5 25.1 38.2 182 49 B A E +H 171 0A 70 -2,-0.7 4,-0.3 -11,-0.2 -11,-0.2 -0.744 47.7 36.8 -94.0 134.4 3.6 22.9 39.1 183 50 B G S > S- 0 0 13 -13,-2.4 4,-2.5 -2,-0.4 3,-0.4 0.364 78.2 -99.3 102.1 134.4 3.9 19.5 40.9 184 51 B A H > S+ 0 0 11 -16,-2.6 4,-2.8 -17,-0.3 5,-0.2 0.825 118.9 54.4 -48.4 -44.2 6.0 18.0 43.7 185 52 B P H > S+ 0 0 104 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.940 114.2 40.4 -58.3 -48.3 8.4 16.2 41.3 186 53 B V H > S+ 0 0 61 -3,-0.4 4,-2.1 -4,-0.3 -2,-0.2 0.917 117.4 49.4 -60.9 -50.7 9.2 19.4 39.3 187 54 B V H X S+ 0 0 0 -4,-2.5 4,-2.5 -17,-0.2 -1,-0.2 0.888 110.5 49.7 -56.6 -47.3 9.4 21.5 42.5 188 55 B S H X S+ 0 0 13 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.902 111.4 50.5 -61.0 -41.8 11.7 19.0 44.3 189 56 B X H X S+ 0 0 94 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.869 111.9 44.5 -66.6 -43.4 14.0 19.0 41.3 190 57 B I H X S+ 0 0 6 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.934 113.1 51.8 -69.1 -42.7 14.3 22.8 41.0 191 58 B L H X S+ 0 0 7 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.807 111.1 48.2 -64.1 -29.0 14.9 23.2 44.8 192 59 B N H X S+ 0 0 51 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.846 113.1 47.8 -75.5 -36.6 17.6 20.5 44.6 193 60 B T H >X S+ 0 0 5 -4,-1.6 3,-1.5 2,-0.2 4,-0.7 0.930 107.4 53.6 -68.2 -48.6 19.2 22.3 41.6 194 61 B V H >X S+ 0 0 16 -4,-3.0 4,-2.1 1,-0.3 3,-0.9 0.858 104.7 59.7 -55.1 -32.0 19.1 25.8 43.3 195 62 B L H 3< S+ 0 0 42 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.757 102.0 51.1 -67.1 -31.1 20.9 24.0 46.2 196 63 B T H << S+ 0 0 62 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.575 113.1 46.6 -85.1 -10.8 23.9 23.1 43.9 197 64 B V H << S+ 0 0 2 -3,-0.9 -2,-0.2 -4,-0.7 -3,-0.1 0.894 88.8 86.2 -95.8 -52.9 24.2 26.8 42.7 198 65 B F < - 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J 0 235A 1 21,-0.2 -5,-2.7 -5,-0.2 2,-0.3 -0.980 58.1-176.6-128.4 141.6 3.3 31.4 55.8 215 82 B V E -IJ 208 234A 0 19,-2.6 19,-1.9 -2,-0.4 2,-0.5 -0.954 15.2-153.3-132.1 146.6 7.0 32.0 56.5 216 83 B V E -IJ 207 233A 0 -9,-2.6 -9,-2.4 -2,-0.3 2,-0.6 -0.998 10.2-165.0-120.8 120.6 9.7 34.2 54.9 217 84 B L E -IJ 206 232A 0 15,-2.8 15,-2.1 -2,-0.5 2,-0.3 -0.949 11.5-151.7-108.9 104.2 13.3 33.0 55.3 218 85 B E E + J 0 231A 8 -13,-2.9 -14,-3.3 -2,-0.6 2,-0.3 -0.621 22.5 179.8 -74.9 135.4 15.8 35.8 54.5 219 86 B F E -IJ 203 230A 0 11,-3.2 11,-2.9 -2,-0.3 2,-0.3 -0.960 27.3-149.3-138.8 160.2 19.1 34.6 53.1 220 87 B S E +IJ 202 229A 31 -18,-2.2 -18,-2.4 -2,-0.3 2,-0.3 -0.869 32.4 149.7-117.9 149.9 22.5 35.7 51.9 221 88 B A E - J 0 228A 1 7,-1.8 7,-3.2 -2,-0.3 2,-0.3 -0.931 31.3-130.3-164.4 176.1 24.5 33.6 49.2 222 89 B R E -IJ 199 227A 32 -23,-2.3 -23,-2.6 -2,-0.3 2,-0.4 -0.985 4.4-160.0-143.1 147.7 26.9 34.0 46.3 223 90 B V E > S- J 0 226A 11 3,-2.4 3,-2.2 -2,-0.3 2,-0.4 -0.909 73.9 -59.0-127.7 93.7 27.1 32.8 42.7 224 91 B G T 3 S- 0 0 44 -2,-0.4 -25,-0.0 1,-0.3 33,-0.0 -0.505 124.8 -11.4 68.1-116.9 30.8 33.1 41.8 225 92 B E T 3 S+ 0 0 99 -2,-0.4 2,-0.8 -3,-0.1 -1,-0.3 0.609 115.1 105.3 -83.0 -19.5 31.8 36.8 42.3 226 93 B R E < -J 223 0A 121 -3,-2.2 -3,-2.4 27,-0.1 2,-0.3 -0.604 58.1-157.6 -79.6 106.5 28.1 37.8 42.7 227 94 B E E -J 222 0A 107 -2,-0.8 2,-0.3 -5,-0.2 -5,-0.2 -0.620 23.8-173.6 -75.4 128.1 27.1 38.5 46.2 228 95 B L E -J 221 0A 6 -7,-3.2 -7,-1.8 -2,-0.3 2,-0.3 -0.924 25.8-154.8-134.5 168.3 23.4 38.1 46.6 229 96 B K E +JK 220 250A 37 21,-2.7 21,-2.7 -2,-0.3 2,-0.3 -0.965 28.2 156.6-134.4 141.5 20.4 38.5 49.0 230 97 B G E -JK 219 249A 0 -11,-2.9 -11,-3.2 -2,-0.3 2,-0.3 -0.966 30.2-129.8-158.5 175.5 17.1 36.6 48.9 231 98 B I E -JK 218 248A 0 17,-2.1 17,-1.4 -2,-0.3 2,-0.6 -0.996 6.5-152.9-135.8 141.6 13.9 35.2 50.4 232 99 B D E -JK 217 247A 10 -15,-2.1 -15,-2.8 -2,-0.3 2,-0.7 -0.981 19.9-165.9-106.4 112.4 12.2 31.8 50.5 233 100 B X E -JK 216 246A 0 13,-3.1 13,-2.3 -2,-0.6 2,-0.4 -0.909 12.1-173.4-106.2 99.8 8.5 32.7 50.9 234 101 B I E -JK 215 245A 0 -19,-1.9 -19,-2.6 -2,-0.7 2,-0.4 -0.853 14.4-167.2-103.0 128.7 6.8 29.4 51.9 235 102 B R E -JK 214 244A 90 9,-2.4 8,-2.8 -2,-0.4 9,-1.6 -0.942 12.8-165.9-110.7 131.8 3.1 28.8 52.3 236 103 B F E - K 0 242A 5 -23,-2.9 6,-0.2 -2,-0.4 2,-0.1 -0.769 13.3-126.8-113.6 159.7 1.9 25.5 54.1 237 104 B D > - 0 0 30 4,-2.1 3,-1.6 -2,-0.3 -94,-0.1 -0.328 42.5 -86.4 -94.5-176.2 -1.5 23.7 54.3 238 105 B D T 3 S+ 0 0 101 1,-0.3 -96,-0.2 2,-0.1 -95,-0.1 0.787 130.9 52.4 -57.6 -34.0 -3.4 22.6 57.5 239 106 B D T 3 S- 0 0 99 -97,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.420 121.7-108.1 -85.3 -0.1 -1.4 19.3 57.3 240 107 B G < + 0 0 1 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.484 69.6 146.0 84.6 8.1 1.9 21.2 57.2 241 108 B R - 0 0 90 1,-0.1 -4,-2.1 -75,-0.1 2,-0.4 -0.560 56.8-111.1 -77.7 141.3 2.6 20.3 53.5 242 109 B I E +gK 166 236A 1 -77,-3.0 -75,-2.9 -6,-0.2 -6,-0.2 -0.603 43.6 165.9 -71.2 123.8 4.5 22.9 51.4 243 110 B V E + 0 0 38 -8,-2.8 -72,-2.3 -2,-0.4 2,-0.4 0.676 65.1 25.2-109.5 -34.5 1.9 24.3 48.8 244 111 B D E -gK 171 235A 9 -9,-1.6 -9,-2.4 -74,-0.2 2,-0.5 -0.995 57.7-176.9-138.5 127.0 3.7 27.4 47.5 245 112 B F E -gK 172 234A 0 -74,-2.5 -72,-2.6 -2,-0.4 2,-0.5 -0.941 11.3-179.4-128.2 106.7 7.4 28.1 47.4 246 113 B E E -gK 173 233A 1 -13,-2.3 -13,-3.1 -2,-0.5 2,-0.4 -0.935 6.2-165.4-112.7 124.7 8.3 31.6 46.0 247 114 B V E - K 0 232A 3 -74,-2.4 2,-0.3 -2,-0.5 -15,-0.2 -0.898 6.5-177.7-112.0 139.4 11.9 32.8 45.7 248 115 B X E - K 0 231A 0 -17,-1.4 -17,-2.1 -2,-0.4 2,-0.3 -0.984 6.1-169.7-131.6 142.0 13.1 36.4 45.2 249 116 B V E - K 0 230A 1 -134,-0.4 -134,-0.4 -2,-0.3 -19,-0.2 -0.950 12.6-128.6-132.7 147.1 16.8 37.5 44.7 250 117 B R E + K 0 229A 10 -21,-2.7 -21,-2.7 -2,-0.3 2,-0.1 -0.963 64.9 37.4-143.2 151.6 18.5 40.9 44.7 251 118 B P S >> S- 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.608 74.8-117.9 -82.8-175.4 20.4 42.8 43.2 252 119 B X H 3> S+ 0 0 24 -210,-0.6 4,-2.9 1,-0.2 5,-0.2 0.894 114.7 55.3 -46.9 -51.2 19.9 42.4 39.4 253 120 B S H 3> S+ 0 0 26 -211,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.825 108.9 47.9 -52.4 -41.1 23.6 41.2 39.0 254 121 B G H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.902 112.0 48.5 -68.0 -45.1 22.9 38.4 41.5 255 122 B L H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.927 110.7 51.6 -60.9 -46.8 19.6 37.4 39.8 256 123 B Q H X S+ 0 0 100 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.909 111.7 46.7 -54.7 -50.1 21.4 37.3 36.4 257 124 B A H X S+ 0 0 19 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.921 112.9 50.2 -59.8 -47.9 24.2 35.0 37.8 258 125 B L H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.936 112.6 45.3 -55.2 -56.9 21.6 32.7 39.5 259 126 B G H X S+ 0 0 14 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.896 112.3 52.1 -52.8 -47.7 19.5 32.3 36.3 260 127 B E H X S+ 0 0 136 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.918 114.8 41.6 -54.2 -51.7 22.7 31.7 34.2 261 128 B E H X S+ 0 0 59 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.813 109.7 57.5 -69.0 -36.8 23.9 28.9 36.5 262 129 B X H X S+ 0 0 14 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.916 112.2 42.5 -59.0 -47.3 20.4 27.3 37.0 263 130 B G H X S+ 0 0 40 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.858 111.9 53.1 -67.1 -41.4 20.2 26.9 33.2 264 131 B R H X S+ 0 0 113 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.906 112.1 46.9 -62.2 -43.3 23.8 25.7 32.9 265 132 B R H X S+ 0 0 59 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.907 111.1 49.2 -66.9 -47.0 23.1 23.0 35.6 266 133 B L H X S+ 0 0 67 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.906 112.9 48.8 -61.2 -36.4 19.9 21.8 34.1 267 134 B A H X S+ 0 0 61 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.835 110.6 52.0 -65.5 -38.5 21.8 21.6 30.7 268 135 B S H < S+ 0 0 61 -4,-1.8 3,-0.4 2,-0.2 -2,-0.2 0.914 109.7 48.1 -64.7 -45.9 24.6 19.6 32.6 269 136 B Y H >< S+ 0 0 118 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.848 111.4 50.5 -64.8 -37.8 22.1 17.1 34.1 270 137 B L H 3< S+ 0 0 155 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.690 92.7 73.8 -72.4 -23.7 20.4 16.5 30.7 271 138 B A T 3< 0 0 85 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.1 0.168 360.0 360.0 -77.2 19.7 23.8 15.9 28.9 272 139 B A < 0 0 131 -3,-0.7 -3,-0.1 0, 0.0 -2,-0.1 -0.002 360.0 360.0 -40.0 360.0 23.7 12.4 30.8