==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-OCT-00 1E97 . COMPND 2 MOLECULE: STEROID DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR N.-C.HA,B.-H.OH . 123 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 27.6 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 1 0.8 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 . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 1 3 0 1 0 1 0 0 1 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 0 0 0 0 1 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 N 0 0 100 0, 0.0 106,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-178.7 14.4 61.0 54.4 2 3 A L - 0 0 84 104,-0.3 104,-0.2 105,-0.1 75,-0.1 -0.411 360.0-114.0 -55.3 113.4 14.2 57.8 52.4 3 4 A P - 0 0 4 0, 0.0 74,-0.4 0, 0.0 2,-0.1 -0.085 23.4-121.5 -53.5 151.7 10.5 57.6 52.2 4 5 A T >> - 0 0 74 1,-0.1 4,-2.6 72,-0.1 3,-0.5 -0.430 36.0 -96.5 -84.8 168.6 8.7 54.8 54.0 5 6 A A H 3> S+ 0 0 22 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.925 129.6 51.5 -51.9 -43.4 6.5 52.5 52.0 6 7 A Q H 3> S+ 0 0 162 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.815 109.1 49.2 -62.0 -35.2 3.5 54.7 53.1 7 8 A E H <> S+ 0 0 96 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.898 106.1 55.9 -74.4 -38.6 5.3 57.9 52.0 8 9 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.928 105.5 52.5 -59.3 -44.2 6.1 56.4 48.6 9 10 A Q H X S+ 0 0 88 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.916 112.6 45.8 -56.9 -44.1 2.4 55.7 48.0 10 11 A G H X S+ 0 0 44 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.874 112.5 48.3 -67.7 -39.5 1.6 59.3 48.8 11 12 A L H X S+ 0 0 40 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.900 113.2 48.1 -66.8 -42.5 4.4 60.8 46.7 12 13 A M H X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.858 110.2 50.0 -69.1 -35.0 3.5 58.8 43.7 13 14 A A H X S+ 0 0 25 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.877 109.6 53.9 -68.1 -37.3 -0.2 59.5 43.9 14 15 A R H X S+ 0 0 119 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.912 101.9 58.8 -60.8 -44.8 0.8 63.2 44.1 15 16 A F H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.915 106.2 46.3 -51.8 -49.8 2.8 62.9 41.0 16 17 A I H X S+ 0 0 4 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.850 109.4 57.0 -63.9 -35.1 -0.2 61.7 38.9 17 18 A E H X S+ 0 0 114 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.907 109.1 45.5 -59.2 -44.3 -2.3 64.6 40.5 18 19 A L H X>S+ 0 0 19 -4,-2.2 4,-2.0 2,-0.2 5,-1.4 0.914 112.5 49.0 -68.0 -45.1 0.3 67.1 39.2 19 20 A V H <5S+ 0 0 18 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.867 109.6 55.3 -62.1 -37.8 0.4 65.6 35.7 20 21 A D H <5S+ 0 0 60 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.921 114.2 36.5 -62.5 -46.5 -3.4 65.6 35.6 21 22 A V H <5S- 0 0 108 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.736 108.6-125.1 -80.2 -20.7 -3.7 69.4 36.4 22 23 A G T <5 + 0 0 30 -4,-2.0 2,-1.4 -5,-0.2 -3,-0.2 0.799 48.5 161.2 84.8 29.9 -0.6 70.2 34.3 23 24 A D >< + 0 0 77 -5,-1.4 4,-2.2 1,-0.2 3,-0.2 -0.661 11.7 179.4 -87.0 86.8 1.5 72.1 36.9 24 25 A I H > S+ 0 0 20 -2,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.855 74.9 51.7 -59.3 -40.6 4.8 71.8 35.3 25 26 A E H > S+ 0 0 138 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.889 111.4 47.7 -67.2 -37.7 6.9 73.7 37.8 26 27 A A H > S+ 0 0 24 -3,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.885 112.9 49.4 -68.4 -39.5 5.5 71.6 40.7 27 28 A I H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 4,-0.5 0.961 109.1 51.8 -61.5 -52.4 6.2 68.4 38.8 28 29 A V H >< S+ 0 0 17 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.837 104.8 57.3 -53.1 -36.2 9.7 69.4 38.0 29 30 A Q H 3< S+ 0 0 118 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.631 91.6 69.6 -73.0 -16.2 10.3 70.1 41.6 30 31 A M T << S+ 0 0 13 -3,-1.9 80,-2.3 -4,-0.6 -1,-0.3 0.702 91.2 80.9 -74.1 -16.4 9.4 66.6 42.6 31 32 A F E < S-a 110 0A 0 -3,-1.2 80,-0.2 -4,-0.5 2,-0.1 -0.529 88.3-109.2 -92.1 155.4 12.6 65.5 40.9 32 33 A A E > - 0 0 2 78,-2.5 3,-1.4 -2,-0.2 16,-0.1 -0.413 39.3-109.0 -72.0 159.0 16.2 65.5 42.2 33 34 A D E 3 S+ 0 0 113 1,-0.3 16,-1.8 15,-0.1 17,-0.3 0.811 119.1 33.0 -62.1 -29.8 18.3 68.1 40.4 34 35 A D E 3 S+ 0 0 81 14,-0.2 -1,-0.3 15,-0.1 77,-0.0 0.069 88.6 144.5-114.0 23.6 20.2 65.5 38.5 35 36 A A E < - 0 0 0 -3,-1.4 13,-3.1 12,-0.2 2,-0.3 -0.073 39.8-139.9 -55.4 156.0 17.4 62.9 38.2 36 37 A T E -aB 112 47A 38 75,-1.5 77,-1.6 11,-0.2 2,-0.4 -0.924 11.4-159.7-120.0 150.8 17.2 60.8 35.0 37 38 A V E -aB 113 46A 0 9,-2.8 9,-2.4 -2,-0.3 2,-0.5 -0.993 8.0-168.2-129.5 137.8 14.0 59.9 33.2 38 39 A E E -a 114 0A 42 75,-2.1 77,-2.8 -2,-0.4 3,-0.2 -0.894 17.1-173.9-127.3 96.9 13.5 57.0 30.8 39 40 A D S S+ 0 0 47 -2,-0.5 2,-0.1 1,-0.4 77,-0.1 -0.936 77.4 19.1-140.3 111.0 10.2 57.4 29.0 40 41 A P S > S- 0 0 22 0, 0.0 3,-1.9 0, 0.0 -1,-0.4 0.600 103.8-118.3 -78.2 157.1 9.4 55.1 27.3 41 42 A F T 3 S+ 0 0 94 74,-3.5 76,-0.2 1,-0.2 -2,-0.1 -0.403 102.5 47.9 -61.7 136.1 11.7 52.6 28.8 42 43 A G T 3 S+ 0 0 64 1,-0.5 -1,-0.2 -2,-0.1 74,-0.0 0.092 92.2 99.5 116.9 -19.2 14.1 51.5 26.1 43 44 A Q S < S- 0 0 105 -3,-1.9 -1,-0.5 1,-0.1 0, 0.0 -0.657 89.0 -89.0 -95.7 151.9 14.9 55.0 25.0 44 45 A P - 0 0 106 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.316 55.4-106.3 -59.8 145.8 18.1 56.9 26.1 45 46 A P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.231 17.6-133.9 -73.6 160.3 17.5 58.8 29.3 46 47 A I E -B 37 0A 30 -9,-2.4 -9,-2.8 6,-0.0 2,-0.4 -0.930 26.3-154.0-112.3 138.6 17.0 62.5 29.9 47 48 A H E > +B 36 0A 98 -2,-0.4 4,-0.6 -11,-0.3 -11,-0.2 -0.941 42.4 10.9-121.6 139.3 19.0 63.9 32.8 48 49 A G H > S- 0 0 10 -13,-3.1 4,-2.2 -2,-0.4 -14,-0.2 0.355 84.1 -78.4 80.2 150.8 18.6 66.9 35.1 49 50 A R H > S+ 0 0 63 -16,-1.8 4,-2.6 1,-0.2 5,-0.2 0.767 121.9 59.4 -54.2 -35.4 15.8 69.3 35.8 50 51 A E H > S+ 0 0 170 -17,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.993 111.7 38.7 -60.6 -58.3 16.3 71.4 32.7 51 52 A Q H X S+ 0 0 113 -4,-0.6 4,-2.6 1,-0.2 -2,-0.2 0.850 116.4 53.2 -60.0 -33.4 15.8 68.5 30.3 52 53 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.883 107.3 49.7 -72.4 -36.0 13.0 67.1 32.4 53 54 A A H X S+ 0 0 25 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.957 112.6 48.5 -66.5 -43.1 11.1 70.4 32.5 54 55 A A H X S+ 0 0 55 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.931 111.0 51.6 -57.9 -46.9 11.5 70.6 28.7 55 56 A F H X S+ 0 0 62 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.903 113.7 42.3 -57.0 -47.8 10.3 67.0 28.4 56 57 A F H X S+ 0 0 11 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.805 112.6 52.4 -71.9 -32.2 7.1 67.6 30.5 57 58 A R H < S+ 0 0 139 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.929 108.3 53.4 -66.8 -45.5 6.3 71.0 28.9 58 59 A Q H < S+ 0 0 175 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.905 119.0 33.0 -52.5 -50.2 6.5 69.2 25.5 59 60 A G H < 0 0 56 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.859 360.0 360.0 -80.1 -39.5 4.0 66.5 26.5 60 61 A L < 0 0 58 -4,-2.6 -40,-0.1 -5,-0.1 -36,-0.0 -0.599 360.0 360.0 -80.2 360.0 1.7 68.3 28.8 61 ! 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 62 65 A K 0 0 203 0, 0.0 2,-0.4 0, 0.0 -40,-0.0 0.000 360.0 360.0 360.0 48.9 -5.7 68.9 27.2 63 66 A V - 0 0 41 -43,-0.1 2,-0.3 -44,-0.1 24,-0.2 -0.903 360.0-174.4-118.2 143.2 -4.3 65.9 29.1 64 67 A R E -C 86 0A 132 22,-1.7 22,-3.0 -2,-0.4 2,-0.4 -0.997 2.7-170.8-136.3 138.4 -5.7 63.9 32.0 65 68 A A E -C 85 0A 4 -2,-0.3 2,-0.3 -49,-0.2 20,-0.2 -0.973 3.9-178.8-131.2 141.8 -4.0 61.2 34.0 66 69 A C E -C 84 0A 46 18,-2.1 18,-2.3 -2,-0.4 2,-0.4 -0.994 33.2-113.2-142.0 151.2 -5.4 58.8 36.6 67 70 A L E -C 83 0A 60 -2,-0.3 16,-0.3 16,-0.2 4,-0.1 -0.664 25.5-168.6 -75.8 131.8 -4.1 56.0 38.8 68 71 A T + 0 0 84 14,-2.2 15,-0.2 -2,-0.4 -1,-0.1 0.227 68.4 5.2-109.0 14.7 -5.8 52.9 37.6 69 72 A G S S- 0 0 23 13,-0.6 -1,-0.1 3,-0.0 3,-0.1 -0.950 97.8 -59.3-177.8 169.6 -4.7 50.7 40.5 70 73 A P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.201 52.5-108.2 -64.0 154.1 -2.9 51.0 43.9 71 74 A V - 0 0 10 10,-0.2 2,-0.6 -4,-0.1 10,-0.2 -0.720 30.4-142.5 -80.6 128.9 0.7 52.2 44.1 72 75 A R E -D 80 0A 145 8,-3.3 8,-2.7 -2,-0.4 2,-0.4 -0.857 25.7-174.8 -95.2 122.1 3.0 49.2 44.9 73 76 A A E -D 79 0A 36 -2,-0.6 6,-0.2 6,-0.2 2,-0.2 -0.933 13.9-159.2-124.2 145.5 5.7 50.4 47.3 74 77 A S - 0 0 39 4,-2.8 3,-0.5 -2,-0.4 -66,-0.2 -0.513 32.3-110.5-107.7-179.0 8.7 48.6 48.7 75 78 A H S S+ 0 0 168 1,-0.2 -70,-0.1 -2,-0.2 4,-0.1 0.472 104.7 70.8 -94.5 -2.1 10.7 49.5 51.8 76 79 A N S S- 0 0 83 2,-0.1 -1,-0.2 -72,-0.1 3,-0.1 0.014 121.9 -86.1-105.5 32.0 13.8 50.6 50.0 77 80 A G S S+ 0 0 0 -3,-0.5 27,-2.9 -74,-0.4 2,-0.3 0.705 92.2 120.7 78.1 21.1 12.5 53.9 48.5 78 81 A C E + E 0 103A 30 25,-0.2 -4,-2.8 -75,-0.1 2,-0.3 -0.864 31.9 168.4-119.5 152.1 11.0 52.2 45.4 79 82 A G E -DE 73 102A 5 23,-1.7 23,-2.6 -2,-0.3 2,-0.3 -0.981 16.0-159.6-156.2 158.5 7.5 52.1 44.0 80 83 A A E -DE 72 101A 31 -8,-2.7 -8,-3.3 -2,-0.3 21,-0.2 -0.995 14.6-177.3-142.1 143.3 5.6 51.2 40.9 81 84 A M E - E 0 100A 3 19,-2.2 19,-1.9 -2,-0.3 2,-0.4 -0.999 21.0-133.5-147.8 146.8 2.1 52.3 39.8 82 85 A P E + E 0 99A 25 0, 0.0 -14,-2.2 0, 0.0 -13,-0.6 -0.787 37.0 153.7 -98.8 137.3 -0.4 51.7 37.0 83 86 A F E -CE 67 98A 14 15,-2.6 15,-3.0 -2,-0.4 2,-0.4 -0.991 32.8-131.2-156.4 166.6 -2.1 54.6 35.3 84 87 A R E -CE 66 97A 68 -18,-2.3 -18,-2.1 -2,-0.3 2,-0.5 -0.939 11.3-155.5-122.4 143.6 -3.7 55.8 32.2 85 88 A V E -CE 65 96A 21 11,-2.7 11,-2.2 -2,-0.4 2,-0.6 -0.961 6.9-157.6-118.8 133.1 -3.2 59.0 30.2 86 89 A E E +CE 64 95A 73 -22,-3.0 -22,-1.7 -2,-0.5 9,-0.2 -0.942 25.2 151.7-114.7 121.4 -5.9 60.4 28.1 87 90 A M - 0 0 56 7,-2.9 7,-0.5 -2,-0.6 2,-0.3 -0.475 43.4-121.8-124.2-163.2 -4.9 62.8 25.3 88 91 A V > - 0 0 43 5,-0.3 2,-1.0 -2,-0.2 3,-0.6 -0.786 25.0-154.4-149.3 94.5 -6.2 63.8 21.8 89 92 A W B > S-H 92 0B 156 3,-1.8 3,-1.1 1,-0.3 -2,-0.0 -0.699 74.7 -24.7 -82.4 104.2 -3.6 63.1 19.2 90 93 A N T 3 S- 0 0 144 -2,-1.0 2,-1.4 1,-0.3 -1,-0.3 0.989 127.7 -45.6 57.0 67.2 -4.2 65.5 16.3 91 94 A G T < S+ 0 0 70 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.1 0.021 126.5 103.0 70.4 -34.6 -7.8 66.1 16.9 92 95 A Q B < S-H 89 0B 115 -2,-1.4 -3,-1.8 -3,-1.1 2,-0.3 -0.743 72.5-136.0 -85.8 120.1 -8.1 62.3 17.4 93 96 A P + 0 0 80 0, 0.0 -5,-0.3 0, 0.0 2,-0.3 -0.553 29.7 175.4 -77.1 131.7 -8.4 61.5 21.1 94 97 A C - 0 0 11 -7,-0.5 -7,-2.9 -2,-0.3 2,-0.3 -0.854 21.4-139.9-135.4 171.6 -6.3 58.5 22.4 95 98 A A E -EF 86 123A 6 28,-1.6 28,-1.9 -2,-0.3 2,-0.4 -0.981 7.0-163.6-134.1 144.9 -5.3 56.7 25.6 96 99 A L E -EF 85 122A 19 -11,-2.2 -11,-2.7 -2,-0.3 2,-0.6 -0.998 11.2-148.6-131.0 127.9 -2.0 55.2 26.8 97 100 A D E +E 84 0A 58 24,-1.6 2,-0.3 -2,-0.4 -13,-0.2 -0.892 30.2 176.7 -98.0 123.8 -1.8 52.6 29.7 98 101 A V E -E 83 0A 10 -15,-3.0 -15,-2.6 -2,-0.6 2,-0.5 -0.893 28.2-153.3-130.0 154.2 1.5 53.1 31.5 99 102 A I E -EG 82 116A 81 17,-1.5 17,-3.4 -2,-0.3 2,-0.4 -0.996 16.3-160.9-126.3 125.2 3.4 51.7 34.4 100 103 A D E -EG 81 115A 2 -19,-1.9 -19,-2.2 -2,-0.5 2,-0.5 -0.881 3.9-164.2-104.0 139.4 5.9 54.0 36.1 101 104 A V E -EG 80 114A 43 13,-2.5 13,-2.3 -2,-0.4 2,-0.4 -0.992 16.3-172.5-120.0 125.5 8.7 52.7 38.4 102 105 A M E -EG 79 113A 0 -23,-2.6 -23,-1.7 -2,-0.5 2,-0.5 -0.966 18.3-159.5-127.7 141.1 10.3 55.3 40.6 103 106 A R E -EG 78 112A 109 9,-2.4 8,-2.9 -2,-0.4 9,-1.9 -0.971 17.7-155.8-115.2 128.8 13.3 55.4 42.9 104 107 A F E - G 0 110A 3 -27,-2.9 6,-0.2 -2,-0.5 2,-0.2 -0.632 7.3-131.9-101.1 158.6 13.4 58.1 45.5 105 108 A D > - 0 0 14 4,-2.6 3,-2.6 -2,-0.2 4,-0.2 -0.449 40.9 -84.7-100.6 178.5 16.4 59.6 47.3 106 109 A E T 3 S+ 0 0 110 1,-0.3 -104,-0.3 -104,-0.2 -1,-0.0 0.249 127.8 56.8 -66.5 10.7 17.0 60.3 51.0 107 110 A H T 3 S- 0 0 111 2,-0.2 -1,-0.3 -106,-0.1 -105,-0.1 0.265 119.6-106.0-120.9 1.7 15.2 63.6 50.5 108 111 A G S < S+ 0 0 19 -3,-2.6 2,-0.4 1,-0.3 -2,-0.1 0.776 78.8 133.1 76.7 26.3 12.0 62.1 49.2 109 112 A R - 0 0 94 -4,-0.2 -4,-2.6 -78,-0.0 2,-0.5 -0.879 67.6-100.9-112.6 146.9 12.8 63.3 45.7 110 113 A I E +aG 31 104A 0 -80,-2.3 -78,-2.5 -2,-0.4 -6,-0.3 -0.498 38.6 176.2 -67.3 113.3 12.6 61.2 42.5 111 114 A Q E + 0 0 81 -8,-2.9 -75,-1.5 -2,-0.5 2,-0.3 0.822 69.2 6.9 -86.1 -37.9 16.1 60.1 41.7 112 115 A T E -aG 36 103A 29 -9,-1.9 -9,-2.4 -77,-0.2 2,-0.4 -0.998 62.9-167.8-148.9 144.3 15.2 57.9 38.7 113 116 A M E -aG 37 102A 2 -77,-1.6 -75,-2.1 -2,-0.3 2,-0.4 -0.998 2.1-174.4-136.0 133.1 12.0 57.3 36.8 114 117 A Q E -aG 38 101A 43 -13,-2.3 -13,-2.5 -2,-0.4 2,-0.5 -0.994 8.7-157.8-129.6 129.7 11.2 54.6 34.2 115 118 A A E - 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