==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 14-JUN-13 4L7K . COMPND 2 MOLECULE: STEROID DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COMAMONAS TESTOSTERONI; . AUTHOR A.GONZALEZ,Y.TSAI,J.SCHWANS,F.SUNDEN,D.HERSCHLAG . 1486 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1099 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 424 28.5 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 . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 1.6 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 . 4 0.3 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 . 104 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 327 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 8 4 0 0 0 0 10 2 0 0 0 3 9 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 12 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 19 17 13 23 12 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 12 0 12 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 1 A M 0 0 171 0, 0.0 2,-0.2 0, 0.0 753,-0.1 0.000 360.0 360.0 360.0 155.2 47.8 74.0 139.2 2 2 A N - 0 0 18 101,-0.1 74,-0.4 1,-0.1 73,-0.1 -0.454 360.0-123.2 -68.2 139.6 44.9 74.5 136.7 3 3 A T > - 0 0 44 -2,-0.2 4,-1.8 1,-0.1 3,-0.2 -0.554 9.6-133.6 -76.1 145.9 41.5 75.5 138.0 4 4 A P H > S+ 0 0 41 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.850 107.1 63.4 -61.4 -36.5 38.6 73.2 137.1 5 5 A E H > S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.860 106.2 42.5 -50.9 -44.0 36.7 76.4 136.2 6 6 A H H > S+ 0 0 52 2,-0.2 4,-3.1 -3,-0.2 5,-0.2 0.944 113.2 50.5 -73.2 -49.5 39.2 77.1 133.4 7 7 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.929 112.5 48.2 -55.0 -47.7 39.4 73.5 132.1 8 8 A T H X S+ 0 0 26 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.865 110.9 51.1 -59.6 -41.4 35.5 73.4 132.0 9 9 A A H X S+ 0 0 23 -4,-1.7 4,-2.8 -5,-0.2 -2,-0.2 0.965 108.9 51.1 -59.7 -52.6 35.5 76.8 130.1 10 10 A V H X S+ 0 0 2 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.849 108.5 52.1 -52.5 -40.4 38.0 75.4 127.6 11 11 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.911 111.1 46.8 -64.0 -42.9 35.8 72.4 127.0 12 12 A Q H X S+ 0 0 110 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.885 112.0 51.0 -64.0 -41.2 32.8 74.7 126.4 13 13 A R H X S+ 0 0 124 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.853 107.9 53.2 -62.8 -38.0 35.0 76.7 124.1 14 14 A Y H X S+ 0 0 4 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.927 113.3 42.1 -61.4 -47.6 36.0 73.6 122.2 15 15 A V H X S+ 0 0 10 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.858 112.5 54.8 -71.1 -35.9 32.4 72.6 121.7 16 16 A A H X S+ 0 0 55 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.922 108.5 48.9 -59.9 -44.4 31.5 76.1 120.8 17 17 A A H X>S+ 0 0 6 -4,-2.3 5,-2.5 2,-0.2 4,-1.3 0.864 109.4 51.3 -67.2 -38.8 34.1 76.2 118.1 18 18 A L H ><5S+ 0 0 10 -4,-1.8 3,-0.6 2,-0.2 45,-0.5 0.953 112.5 46.1 -63.3 -47.7 33.0 72.9 116.6 19 19 A N H 3<5S+ 0 0 82 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.877 117.9 43.5 -59.9 -39.2 29.4 74.2 116.4 20 20 A A H 3<5S- 0 0 80 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.613 108.0-124.2 -80.7 -14.2 30.6 77.5 114.9 21 21 A G T <<5 + 0 0 44 -4,-1.3 2,-1.1 -3,-0.6 -3,-0.2 0.783 53.1 159.6 72.3 31.6 33.1 75.9 112.5 22 22 A D >< + 0 0 77 -5,-2.5 4,-1.9 1,-0.2 -1,-0.2 -0.704 16.3 174.9 -98.0 94.1 35.9 78.0 114.0 23 23 A L H > S+ 0 0 32 -2,-1.1 4,-2.5 2,-0.2 5,-0.2 0.892 81.4 49.3 -69.5 -43.5 39.2 76.3 113.1 24 24 A D H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 110.2 54.4 -57.9 -45.9 41.5 79.0 114.5 25 25 A G H > S+ 0 0 19 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.862 110.2 45.4 -55.1 -43.5 39.4 78.9 117.7 26 26 A I H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 4,-0.4 0.973 113.7 46.6 -65.0 -57.0 39.9 75.1 118.1 27 27 A V H >< S+ 0 0 22 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.810 102.7 66.8 -59.0 -31.6 43.6 75.1 117.4 28 28 A A H 3< S+ 0 0 52 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.875 92.2 61.9 -54.0 -39.6 44.0 78.0 119.8 29 29 A L T << S+ 0 0 11 -3,-1.1 80,-2.3 -4,-0.8 -1,-0.3 0.671 97.0 73.9 -62.5 -19.4 43.0 75.8 122.7 30 30 A F E < S-a 109 0A 14 -3,-1.5 2,-0.2 -4,-0.4 80,-0.2 -0.659 83.3-117.8-100.9 152.8 46.0 73.5 122.1 31 31 A A E > - 0 0 10 78,-1.7 3,-2.1 -2,-0.2 16,-0.2 -0.588 32.0-116.1 -79.7 149.7 49.7 74.0 122.9 32 32 A D E 3 S+ 0 0 120 1,-0.3 16,-1.1 -2,-0.2 17,-0.2 0.693 117.0 50.4 -65.0 -16.2 51.9 73.9 119.7 33 33 A D E 3 S+ 0 0 100 14,-0.2 -1,-0.3 15,-0.1 77,-0.1 0.356 92.7 123.6 -94.8 2.6 53.6 70.7 121.0 34 34 A A E < - 0 0 0 -3,-2.1 13,-2.3 75,-0.1 2,-0.3 0.001 49.3-140.2 -74.9 169.8 50.3 69.0 121.7 35 35 A T E -aB 111 46A 46 75,-0.7 77,-1.9 11,-0.2 2,-0.4 -0.943 5.8-159.5-132.5 148.7 48.8 65.7 120.5 36 36 A V E -aB 112 45A 0 9,-2.5 9,-2.2 -2,-0.3 2,-0.4 -0.997 4.8-175.0-128.7 129.5 45.4 64.5 119.4 37 37 A E E -a 113 0A 31 75,-2.4 77,-2.3 -2,-0.4 3,-0.1 -0.834 14.1-171.2-127.6 95.8 44.3 60.8 119.3 38 38 A E S S+ 0 0 39 -2,-0.4 2,-0.1 1,-0.3 77,-0.1 -0.986 75.3 17.2-138.9 118.2 40.9 60.4 117.8 39 39 A P S > S- 0 0 47 0, 0.0 3,-2.0 0, 0.0 -1,-0.3 0.722 102.8-109.8 -75.2 166.2 39.8 57.8 118.0 40 40 A V T 3 S+ 0 0 3 74,-2.2 76,-0.2 1,-0.2 3,-0.1 -0.325 106.9 41.2 -47.6 128.9 41.8 56.2 120.8 41 41 A G T 3 S+ 0 0 55 1,-0.5 -1,-0.2 158,-0.1 2,-0.2 0.197 94.5 104.9 107.1 -11.8 44.0 53.5 119.1 42 42 A S S < S- 0 0 35 -3,-2.0 -1,-0.5 1,-0.1 3,-0.0 -0.474 88.9 -73.7 -92.9 168.5 44.8 55.6 116.1 43 43 A E - 0 0 157 -2,-0.2 2,-0.3 -3,-0.1 -5,-0.3 -0.465 53.5-122.3 -59.5 115.3 48.1 57.3 115.2 44 44 A P - 0 0 63 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.540 22.4-132.7 -66.7 126.5 48.3 60.3 117.5 45 45 A R E -B 36 0A 106 -9,-2.2 -9,-2.5 -2,-0.3 2,-0.4 -0.649 28.1-159.2 -74.7 128.5 48.6 63.5 115.3 46 46 A S E +B 35 0A 80 -2,-0.3 4,-0.5 -11,-0.2 -11,-0.2 -0.963 39.9 21.0-132.1 135.5 51.3 65.7 116.7 47 47 A G S > S- 0 0 18 -13,-2.3 4,-2.4 -2,-0.4 5,-0.2 -0.002 89.4 -77.6 92.6 157.3 52.2 69.4 116.3 48 48 A T H > S+ 0 0 58 -16,-1.1 4,-3.1 1,-0.2 5,-0.2 0.874 128.7 55.6 -53.9 -42.7 50.1 72.4 115.4 49 49 A A H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 111.7 41.7 -59.1 -48.5 50.3 71.4 111.7 50 50 A A H > S+ 0 0 28 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.879 117.3 46.7 -69.6 -41.2 48.9 67.9 112.2 51 51 A I H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.913 111.4 52.5 -67.4 -42.4 46.2 69.0 114.7 52 52 A R H X S+ 0 0 110 -4,-3.1 4,-2.0 -5,-0.2 -2,-0.2 0.937 111.6 45.8 -58.3 -46.9 45.2 71.9 112.4 53 53 A E H X S+ 0 0 130 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.841 107.6 58.7 -67.1 -33.3 44.8 69.5 109.5 54 54 A F H X S+ 0 0 21 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.910 111.6 39.6 -60.1 -44.1 42.8 67.0 111.7 55 55 A Y H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.824 111.3 56.9 -80.1 -31.5 40.1 69.5 112.5 56 56 A A H < S+ 0 0 35 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.936 111.0 45.0 -59.5 -46.2 40.0 71.1 109.0 57 57 A N H >< S+ 0 0 92 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.886 113.0 50.7 -64.6 -41.0 39.2 67.6 107.7 58 58 A S H >< S+ 0 0 41 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.922 105.9 56.6 -59.6 -44.0 36.7 67.0 110.5 59 59 A L T 3< S+ 0 0 39 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.091 74.9 98.3 -83.4 27.0 35.0 70.4 109.7 60 60 A K T < S+ 0 0 150 -3,-1.1 -1,-0.2 1,-0.1 -2,-0.1 0.716 89.1 43.7 -82.3 -22.4 34.4 69.4 106.0 61 61 A L S < S- 0 0 47 -3,-1.2 2,-0.2 -4,-0.2 -1,-0.1 -0.962 104.1-109.0-112.0 139.0 30.9 68.5 107.1 62 62 A P - 0 0 116 0, 0.0 25,-0.4 0, 0.0 2,-0.4 -0.525 40.0-143.4 -70.1 135.8 29.1 70.9 109.5 63 63 A L - 0 0 22 -45,-0.5 2,-0.6 -2,-0.2 23,-0.2 -0.795 17.3-152.2-110.6 137.9 28.8 69.5 112.9 64 64 A A E +F 85 0B 56 21,-2.9 21,-3.3 -2,-0.4 2,-0.4 -0.949 31.8 175.6 -97.7 114.8 26.1 69.6 115.6 65 65 A V E +F 84 0B 5 -2,-0.6 2,-0.3 19,-0.2 19,-0.2 -0.971 5.6 164.5-124.1 134.8 28.1 69.1 118.9 66 66 A E E -F 83 0B 128 17,-1.6 17,-1.9 -2,-0.4 2,-0.2 -0.960 38.8-115.6-153.4 142.5 26.8 69.2 122.5 67 67 A L E -F 82 0B 51 -2,-0.3 15,-0.3 15,-0.2 3,-0.1 -0.472 22.1-167.9 -60.9 132.2 27.8 68.3 126.0 68 68 A T + 0 0 54 13,-2.2 2,-0.3 -2,-0.2 14,-0.2 0.441 69.8 12.7-105.0 -1.8 25.3 65.6 127.2 69 69 A Q S S- 0 0 47 12,-0.9 -1,-0.2 3,-0.0 12,-0.2 -0.966 97.6 -64.0-162.5 166.0 26.5 65.9 130.9 70 70 A E - 0 0 74 -2,-0.3 11,-0.4 1,-0.1 2,-0.3 -0.149 57.6-104.1 -53.1 148.3 28.5 68.1 133.2 71 71 A V - 0 0 14 9,-0.1 2,-0.5 -4,-0.1 9,-0.2 -0.595 27.8-142.1 -73.6 138.2 32.2 68.4 132.6 72 72 A R E +C 79 0A 0 7,-2.8 7,-2.7 -2,-0.3 2,-0.3 -0.905 29.9 168.2 -96.8 132.8 34.5 66.4 134.9 73 73 A A E +C 78 0A 4 -2,-0.5 2,-0.3 5,-0.3 170,-0.3 -0.966 7.8 133.9-152.2 133.1 37.7 68.2 135.9 74 74 A V E > +C 77 0A 32 3,-2.9 3,-2.0 -2,-0.3 91,-0.1 -0.958 62.0 10.0-165.3 154.2 40.5 67.7 138.4 75 75 A A T 3 S- 0 0 17 -2,-0.3 90,-0.1 1,-0.3 -72,-0.1 0.807 129.9 -43.2 40.1 60.7 44.3 67.8 138.7 76 76 A N T 3 S+ 0 0 55 -74,-0.4 27,-3.1 1,-0.1 2,-0.3 0.586 122.3 96.5 68.1 16.3 45.2 69.2 135.3 77 77 A E E < -CD 74 102A 14 -3,-2.0 -3,-2.9 25,-0.2 2,-0.3 -0.993 46.0-175.9-140.2 135.1 42.6 67.0 133.5 78 78 A A E -CD 73 101A 0 23,-1.6 23,-2.2 -2,-0.3 2,-0.3 -0.942 3.3-173.6-124.8 155.6 39.1 67.2 132.2 79 79 A A E -CD 72 100A 4 -7,-2.7 -7,-2.8 -2,-0.3 2,-0.3 -0.983 8.4-179.8-142.5 151.9 36.8 64.6 130.6 80 80 A F E - D 0 99A 0 19,-1.8 19,-2.2 -2,-0.3 2,-0.4 -0.997 25.3-132.8-156.8 146.9 33.3 65.0 129.1 81 81 A A E + D 0 98A 0 -11,-0.4 -13,-2.2 -2,-0.3 -12,-0.9 -0.832 42.8 143.5 -99.1 139.8 30.5 63.2 127.4 82 82 A F E -F 67 0B 3 15,-1.4 2,-0.3 -2,-0.4 -15,-0.2 -0.935 40.7-115.7-162.2 169.7 29.0 64.7 124.2 83 83 A T E -F 66 0B 32 -17,-1.9 -17,-1.6 -2,-0.3 2,-0.4 -0.930 12.2-162.2-119.8 149.9 27.6 64.0 120.8 84 84 A V E -FG 65 95B 23 11,-2.4 11,-2.5 -2,-0.3 2,-0.4 -0.950 19.0-175.6-130.9 111.5 28.9 64.9 117.4 85 85 A S E +FG 64 94B 14 -21,-3.3 -21,-2.9 -2,-0.4 2,-0.3 -0.885 9.8 162.5-118.3 140.6 26.3 64.8 114.6 86 86 A F E - G 0 93B 57 7,-2.2 7,-3.3 -2,-0.4 2,-0.4 -0.974 22.5-143.5-151.0 159.8 26.5 65.3 110.9 87 87 A E E + G 0 92B 124 -25,-0.4 2,-0.3 -2,-0.3 5,-0.3 -0.993 27.7 152.8-136.2 129.2 24.5 64.6 107.8 88 88 A Y E > - G 0 91B 139 3,-2.4 3,-1.0 -2,-0.4 -2,-0.0 -0.983 59.1 -2.8-161.7 140.5 25.7 63.5 104.3 89 89 A Q T 3 S- 0 0 169 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.850 134.4 -31.7 39.6 52.6 24.7 61.6 101.2 90 90 A G T 3 S+ 0 0 70 1,-0.1 -1,-0.3 -3,-0.0 2,-0.2 -0.695 120.3 62.3 118.5 -70.7 21.4 60.6 102.7 91 91 A R E < -G 88 0B 161 -3,-1.0 -3,-2.4 -2,-0.5 2,-0.3 -0.531 61.3-126.6-120.2 165.7 21.8 60.2 106.4 92 92 A K E -G 87 0B 97 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.3 -0.715 22.2-159.7-103.1 136.4 22.6 61.6 109.7 93 93 A T E -G 86 0B 17 -7,-3.3 -7,-2.2 -2,-0.3 2,-0.5 -0.986 2.9-164.2-122.6 127.8 25.3 60.1 111.9 94 94 A V E -GH 85 122B 39 28,-4.3 28,-3.7 -2,-0.4 2,-0.4 -0.970 7.5-168.9-111.3 113.6 25.5 60.7 115.7 95 95 A V E -GH 84 121B 17 -11,-2.5 -11,-2.4 -2,-0.5 26,-0.2 -0.821 5.1-161.1 -98.0 143.4 28.8 59.8 117.3 96 96 A A + 0 0 4 24,-2.2 -13,-0.2 -2,-0.4 21,-0.2 -0.756 22.0 166.6-128.9 83.3 29.0 59.7 121.2 97 97 A P - 0 0 1 0, 0.0 -15,-1.4 0, 0.0 2,-0.5 -0.400 34.8-134.2 -87.9 167.9 32.5 59.9 122.4 98 98 A I E -DE 81 115A 5 17,-1.8 17,-3.2 -17,-0.2 2,-0.3 -0.999 29.8-159.6-113.0 123.3 34.1 60.5 125.8 99 99 A D E -DE 80 114A 0 -19,-2.2 -19,-1.8 -2,-0.5 2,-0.4 -0.692 7.2-160.4-101.5 159.7 36.9 63.0 125.4 100 100 A H E -DE 79 113A 32 13,-1.3 13,-2.1 -2,-0.3 2,-0.4 -0.971 2.9-166.3-144.1 119.0 39.8 63.6 127.7 101 101 A F E -DE 78 112A 1 -23,-2.2 -23,-1.6 -2,-0.4 2,-0.4 -0.864 6.4-162.5-102.1 138.9 42.1 66.6 127.9 102 102 A R E -DE 77 111A 90 9,-2.6 8,-2.0 -2,-0.4 9,-1.1 -0.977 19.4-154.9-109.1 136.8 45.4 67.0 129.8 103 103 A F E - E 0 109A 6 -27,-3.1 6,-0.2 -2,-0.4 -101,-0.1 -0.852 5.1-135.1-112.2 146.6 46.5 70.6 130.3 104 104 A N > - 0 0 43 4,-2.5 3,-2.9 -2,-0.3 4,-0.1 -0.407 41.8 -88.3 -87.2 173.7 49.9 72.1 130.8 105 105 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.1 -29,-0.0 0.772 129.8 57.1 -50.1 -32.7 50.9 74.7 133.4 106 106 A A T 3 S- 0 0 86 2,-0.1 -1,-0.3 -104,-0.0 3,-0.1 0.490 119.4-113.2 -78.2 -3.8 49.9 77.5 131.0 107 107 A G S < S+ 0 0 2 -3,-2.9 2,-0.4 1,-0.3 -2,-0.1 0.772 72.8 132.5 75.6 27.1 46.4 75.9 130.8 108 108 A K - 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0 0 20 73,-0.4 75,-0.1 101,-0.1 73,-0.1 -0.500 360.0-111.7 -62.0 153.8 40.5 42.9 123.5 127 3 B T > - 0 0 69 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.693 9.6-129.2 -93.5 149.0 36.9 43.0 122.1 128 4 B P H > S+ 0 0 43 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.863 109.7 58.3 -61.4 -32.8 34.6 46.0 122.8 129 5 B E H > S+ 0 0 111 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.873 106.9 45.6 -64.6 -41.5 32.0 43.5 124.0 130 6 B H H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 114.3 47.3 -69.2 -42.9 34.2 42.1 126.7 131 7 B M H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.922 113.8 49.7 -64.2 -38.0 35.4 45.5 127.9 132 8 B T H X S+ 0 0 24 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.932 109.7 48.5 -66.6 -47.8 31.8 46.6 127.9 133 9 B A H X S+ 0 0 22 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.880 109.5 55.3 -59.5 -37.6 30.4 43.6 129.9 134 10 B V H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.866 106.7 49.7 -63.2 -37.8 33.3 44.2 132.4 135 11 B V H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.939 113.1 46.3 -64.0 -47.8 32.2 47.8 132.9 136 12 B Q H X S+ 0 0 97 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.916 112.2 50.7 -59.6 -43.6 28.6 46.7 133.5 137 13 B R H X S+ 0 0 133 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.886 106.4 56.3 -61.4 -42.3 29.9 43.9 135.9 138 14 B Y H X S+ 0 0 4 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.900 110.0 44.4 -53.8 -48.8 31.9 46.5 137.8 139 15 B V H X S+ 0 0 14 -4,-1.9 4,-2.6 2,-0.2 50,-0.3 0.887 112.2 53.2 -60.1 -44.5 28.8 48.6 138.4 140 16 B A H X S+ 0 0 54 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.914 109.2 46.8 -63.7 -45.4 26.8 45.5 139.3 141 17 B A H X>S+ 0 0 8 -4,-2.6 5,-3.0 2,-0.2 4,-0.5 0.826 110.2 53.5 -67.2 -35.5 29.3 44.3 142.0 142 18 B L H ><5S+ 0 0 10 -4,-1.5 3,-1.5 -5,-0.2 45,-0.4 0.977 112.1 45.7 -60.0 -54.7 29.5 47.8 143.5 143 19 B N H 3<5S+ 0 0 74 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.873 115.8 45.8 -51.5 -41.2 25.7 47.7 143.8 144 20 B A H 3<5S- 0 0 79 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.440 109.5-122.7 -86.5 -0.0 25.8 44.2 145.2 145 21 B G T <<5 + 0 0 45 -3,-1.5 2,-1.1 -4,-0.5 -3,-0.2 0.846 54.5 159.8 65.4 37.4 28.7 45.1 147.6 146 22 B D >< + 0 0 71 -5,-3.0 4,-1.9 1,-0.2 3,-0.3 -0.658 17.9 175.2-104.7 79.6 30.8 42.3 146.1 147 23 B L H > S+ 0 0 38 -2,-1.1 4,-2.4 1,-0.2 3,-0.3 0.894 82.0 50.1 -47.8 -50.9 34.4 43.1 147.0 148 24 B D H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 107.6 52.9 -60.1 -40.3 35.6 39.8 145.5 149 25 B G H 4 S+ 0 0 24 -3,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.853 112.1 46.6 -64.6 -35.4 33.7 40.4 142.2 150 26 B I H >< S+ 0 0 0 -4,-1.9 3,-1.5 -3,-0.3 4,-0.5 0.958 112.8 46.1 -70.2 -55.1 35.3 43.8 141.8 151 27 B V H >< S+ 0 0 12 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.838 103.6 65.0 -60.1 -34.6 38.9 42.9 142.6 152 28 B A T 3< S+ 0 0 59 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.723 92.9 64.0 -59.9 -22.8 38.6 39.8 140.3 153 29 B L T < S+ 0 0 23 -3,-1.5 80,-2.4 -4,-0.4 -1,-0.3 0.756 94.7 75.1 -70.3 -25.9 38.2 42.3 137.4 154 30 B F E < S-i 233 0C 9 -3,-1.4 80,-0.2 -4,-0.5 2,-0.1 -0.626 80.8-122.5 -93.4 147.0 41.7 43.7 137.9 155 31 B A E > - 0 0 8 78,-2.3 3,-1.3 -2,-0.3 16,-0.1 -0.323 35.3-104.7 -71.6 168.1 45.1 42.1 137.0 156 32 B D E 3 S+ 0 0 128 1,-0.3 16,-0.9 15,-0.1 17,-0.1 0.761 120.6 43.1 -72.6 -25.3 47.6 41.5 139.8 157 33 B D E 3 S+ 0 0 116 14,-0.2 -1,-0.3 15,-0.1 77,-0.1 0.092 91.1 134.0-104.8 19.6 49.9 44.5 138.9 158 34 B A E < - 0 0 0 -3,-1.3 13,-2.7 75,-0.1 2,-0.4 -0.137 43.1-144.7 -69.7 164.2 46.9 46.8 138.3 159 35 B T E -iJ 235 170C 38 75,-1.2 77,-2.4 11,-0.2 2,-0.4 -0.978 6.2-160.0-131.1 143.3 46.5 50.4 139.5 160 36 B V E -iJ 236 169C 0 9,-1.8 9,-3.0 -2,-0.4 2,-0.5 -0.993 4.7-173.6-119.7 131.5 43.6 52.4 140.6 161 37 B E E -i 237 0C 32 75,-2.2 77,-2.8 -2,-0.4 6,-0.1 -0.877 14.4-173.7-124.6 94.4 43.8 56.2 140.6 162 38 B E S S+ 0 0 40 -2,-0.5 2,-0.2 5,-0.3 77,-0.1 -0.945 72.4 19.9-139.9 113.4 40.6 57.5 142.3 163 39 B P S > S- 0 0 49 0, 0.0 3,-1.5 0, 0.0 76,-0.2 0.607 101.4-111.3 -75.6 174.2 40.3 60.4 142.2 164 40 B V T 3 S+ 0 0 2 74,-1.6 76,-0.2 1,-0.2 -89,-0.1 -0.510 107.2 39.1 -62.5 140.4 42.5 61.5 139.3 165 41 B G T 3 S+ 0 0 44 1,-0.4 -1,-0.2 -2,-0.2 74,-0.0 -0.080 95.2 105.5 102.3 -30.1 45.4 63.5 140.9 166 42 B S S < S- 0 0 33 -3,-1.5 -1,-0.4 1,-0.1 0, 0.0 -0.282 86.2 -78.2 -83.5 166.9 45.7 61.2 143.9 167 43 B E - 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