==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 09-OCT-06 2INX . COMPND 2 MOLECULE: STEROID DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR J.M.MARTINEZ CAAVEIRO,B.PYBUS,D.RINGE,G.A.PETSKO,P.SIGALA, . 123 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 72.4 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 . 2 1.6 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 . 6 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 24.4 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 0 1 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 . 0 3 0 1 0 1 0 0 0 0 1 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 0 165 0, 0.0 106,-0.2 0, 0.0 104,-0.1 0.000 360.0 360.0 360.0-156.2 14.1 60.6 53.0 2 3 A L - 0 0 80 104,-0.4 104,-0.2 105,-0.1 75,-0.1 -0.367 360.0-113.0 -55.7 120.7 14.0 57.3 51.1 3 4 A P - 0 0 6 0, 0.0 74,-0.4 0, 0.0 -1,-0.1 -0.297 21.3-126.7 -70.6 147.9 10.3 56.8 51.0 4 5 A T > - 0 0 76 1,-0.1 4,-3.2 72,-0.1 5,-0.2 -0.299 37.4 -96.2 -70.2 171.9 8.5 54.0 52.8 5 6 A A H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.933 130.0 49.5 -57.7 -40.4 6.2 51.6 50.9 6 7 A Q H > S+ 0 0 157 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.899 110.2 48.4 -64.0 -42.2 3.4 53.8 52.0 7 8 A E H > S+ 0 0 100 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.892 107.4 56.8 -68.2 -36.7 5.1 57.0 50.9 8 9 A V H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.912 105.4 51.9 -56.8 -45.3 5.9 55.5 47.5 9 10 A Q H X S+ 0 0 89 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.926 112.3 44.7 -58.9 -46.2 2.2 54.9 47.0 10 11 A G H X S+ 0 0 43 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.927 114.4 48.7 -63.3 -42.4 1.4 58.4 47.8 11 12 A L H X S+ 0 0 44 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.924 112.7 47.1 -66.4 -42.7 4.2 59.9 45.6 12 13 A M H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.910 113.4 48.1 -70.3 -37.2 3.4 57.7 42.6 13 14 A A H X S+ 0 0 31 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.899 110.4 52.2 -65.3 -36.9 -0.3 58.6 42.9 14 15 A R H X S+ 0 0 127 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.917 104.9 57.0 -63.9 -43.3 0.6 62.3 43.2 15 16 A Y H X S+ 0 0 7 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.931 106.8 48.2 -51.4 -49.1 2.7 62.0 40.1 16 17 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.902 109.1 54.0 -64.0 -38.2 -0.4 60.7 38.1 17 18 A E H X S+ 0 0 107 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.919 108.5 49.2 -58.0 -38.0 -2.5 63.6 39.5 18 19 A L H X>S+ 0 0 19 -4,-2.5 5,-1.8 1,-0.2 4,-1.7 0.863 111.0 49.1 -75.1 -33.2 0.0 66.1 38.3 19 20 A V H <5S+ 0 0 8 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.928 108.3 55.4 -59.7 -47.0 0.1 64.5 34.8 20 21 A D H <5S+ 0 0 52 -4,-2.6 43,-0.3 1,-0.2 -2,-0.2 0.906 114.7 36.6 -58.0 -43.7 -3.6 64.6 34.8 21 22 A V H <5S- 0 0 113 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.805 109.5-125.2 -79.4 -24.6 -3.8 68.3 35.4 22 23 A G T <5 + 0 0 33 -4,-1.7 2,-1.5 -5,-0.3 -3,-0.2 0.839 46.2 164.9 84.6 34.0 -0.7 68.9 33.3 23 24 A D >< + 0 0 77 -5,-1.8 4,-2.3 1,-0.2 3,-0.2 -0.661 8.7 178.2 -87.1 89.5 1.4 70.7 35.8 24 25 A I H > S+ 0 0 23 -2,-1.5 4,-3.0 1,-0.2 5,-0.2 0.883 76.9 50.9 -60.7 -50.7 4.8 70.5 34.0 25 26 A E H > S+ 0 0 149 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 112.1 46.5 -58.5 -39.3 6.7 72.5 36.6 26 27 A A H > S+ 0 0 19 -3,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.885 111.4 52.6 -72.7 -35.5 5.3 70.4 39.6 27 28 A I H >X S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 4,-0.6 0.960 108.7 49.6 -64.2 -44.3 6.1 67.2 37.7 28 29 A V H >< S+ 0 0 17 -4,-3.0 3,-1.3 1,-0.3 -2,-0.2 0.864 104.2 59.3 -63.3 -37.4 9.6 68.2 37.1 29 30 A Q H 3< S+ 0 0 114 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.629 96.2 63.1 -67.1 -15.3 10.1 69.1 40.8 30 31 A M H << S+ 0 0 11 -3,-1.5 80,-3.0 -4,-0.6 -1,-0.3 0.719 93.9 79.5 -76.1 -23.7 9.2 65.5 41.7 31 32 A Y E << S-a 110 0A 0 -3,-1.3 80,-0.2 -4,-0.6 18,-0.1 -0.584 92.4-105.3 -85.5 151.2 12.3 64.3 39.8 32 33 A A E > - 0 0 2 78,-3.3 3,-1.6 -2,-0.2 16,-0.1 -0.324 39.1-109.1 -62.4 157.2 15.9 64.4 41.1 33 34 A D E 3 S+ 0 0 109 1,-0.3 16,-2.3 15,-0.1 17,-0.3 0.800 121.1 32.4 -61.7 -28.0 17.8 67.2 39.4 34 35 A D E 3 S+ 0 0 69 14,-0.3 -1,-0.3 15,-0.1 -2,-0.1 -0.008 92.3 145.1-118.1 24.5 19.8 64.6 37.5 35 36 A A E < - 0 0 0 -3,-1.6 13,-2.9 75,-0.1 2,-0.4 -0.084 40.4-133.0 -58.7 160.9 17.1 61.9 37.1 36 37 A T E -aB 112 47A 27 75,-2.2 77,-1.8 11,-0.2 2,-0.4 -0.946 13.2-163.2-118.0 145.4 16.7 59.7 34.1 37 38 A V E -aB 113 46A 1 9,-2.0 9,-2.5 -2,-0.4 2,-0.6 -0.995 6.7-170.8-122.8 127.0 13.5 58.9 32.1 38 39 A E E -a 114 0A 36 75,-2.8 77,-3.0 -2,-0.4 3,-0.3 -0.955 18.9-171.1-110.9 106.9 13.2 55.9 29.7 39 40 A N S S+ 0 0 40 -2,-0.6 2,-0.1 1,-0.5 77,-0.1 -0.881 79.5 18.6-149.8 103.1 9.8 56.5 28.0 40 41 A P S > S- 0 0 32 0, 0.0 3,-2.1 0, 0.0 -1,-0.5 0.577 105.5-118.1 -74.7 154.6 9.0 54.1 26.3 41 42 A F T 3 S+ 0 0 88 74,-3.0 76,-0.2 -3,-0.3 -2,-0.1 -0.381 103.5 48.0 -54.3 132.5 11.4 51.6 28.0 42 43 A G T 3 S+ 0 0 65 1,-0.6 -1,-0.3 74,-0.1 74,-0.0 0.087 93.0 95.6 114.6 -21.3 13.7 50.5 25.2 43 44 A Q S < S- 0 0 114 -3,-2.1 -1,-0.6 1,-0.1 0, 0.0 -0.588 91.0 -80.1 -98.0 159.3 14.5 54.0 24.0 44 45 A P - 0 0 103 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.353 53.0-107.1 -62.0 142.9 17.5 56.0 25.1 45 46 A P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.287 22.1-139.6 -62.7 149.1 17.2 57.7 28.5 46 47 A I E -B 37 0A 40 -9,-2.5 -9,-2.0 6,-0.0 2,-0.4 -0.885 22.3-146.9-105.2 150.3 16.8 61.3 28.8 47 48 A H E > +B 36 0A 98 -2,-0.4 4,-0.5 -11,-0.2 -11,-0.2 -0.951 43.2 9.0-129.1 130.7 18.8 63.0 31.6 48 49 A G H > S- 0 0 12 -13,-2.9 4,-2.5 -2,-0.4 -14,-0.3 0.281 81.4 -78.9 94.1 155.1 18.2 65.9 33.9 49 50 A R H > S+ 0 0 63 -16,-2.3 4,-2.8 1,-0.2 5,-0.2 0.784 123.4 56.1 -60.7 -36.2 15.4 68.2 34.7 50 51 A E H > S+ 0 0 172 -17,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.970 113.1 41.2 -62.8 -49.8 15.8 70.4 31.6 51 52 A Q H X S+ 0 0 98 -4,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.889 115.9 51.0 -63.9 -40.1 15.4 67.4 29.2 52 53 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.920 109.4 50.2 -65.2 -45.3 12.6 65.9 31.4 53 54 A A H X S+ 0 0 15 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.915 109.0 52.1 -55.7 -43.7 10.8 69.2 31.4 54 55 A A H X S+ 0 0 46 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.918 109.5 50.9 -60.8 -41.2 11.1 69.4 27.6 55 56 A F H X S+ 0 0 50 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.920 113.4 42.4 -60.9 -50.7 9.7 65.9 27.4 56 57 A Y H X S+ 0 0 8 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.866 112.2 54.5 -67.5 -38.5 6.6 66.6 29.5 57 58 A R H < S+ 0 0 137 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.899 114.5 39.8 -64.2 -37.7 5.9 69.9 27.9 58 59 A Q H < S+ 0 0 157 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.829 118.9 47.2 -80.1 -29.8 5.8 68.4 24.5 59 60 A G H < 0 0 49 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.836 360.0 360.0 -78.2 -34.2 4.0 65.3 25.6 60 61 A L < 0 0 62 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.898 360.0 360.0-102.0 360.0 1.4 67.2 27.6 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 0 198 0, 0.0 2,-0.4 0, 0.0 26,-0.3 0.000 360.0 360.0 360.0 115.6 -6.1 68.3 27.0 63 66 A V - 0 0 26 -43,-0.3 2,-0.4 24,-0.1 24,-0.2 -0.983 360.0-164.0-127.5 139.2 -4.7 65.1 28.6 64 67 A R E -C 86 0A 132 22,-2.0 22,-2.4 -2,-0.4 2,-0.4 -0.924 10.4-179.7-115.5 149.0 -6.4 62.9 31.2 65 68 A A E +C 85 0A 3 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.981 4.7 165.6-150.2 137.6 -4.5 60.4 33.2 66 69 A C E -C 84 0A 64 18,-2.2 18,-2.2 -2,-0.4 2,-0.1 -0.991 39.7-101.3-151.1 152.0 -5.5 58.0 35.9 67 70 A L E -C 83 0A 57 -2,-0.3 16,-0.3 16,-0.2 4,-0.0 -0.361 21.6-165.9 -62.1 138.7 -4.5 55.0 37.8 68 71 A T S S- 0 0 81 14,-2.2 15,-0.2 1,-0.2 -1,-0.1 0.208 74.7 -3.5-115.7 14.9 -6.1 51.8 36.5 69 72 A G S S- 0 0 24 13,-0.6 -1,-0.2 3,-0.0 3,-0.1 -0.931 97.1 -55.3 175.7 179.3 -5.1 49.9 39.6 70 73 A P - 0 0 87 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.250 52.5-104.7 -72.9 155.6 -3.2 50.2 42.8 71 74 A V - 0 0 10 10,-0.2 2,-0.7 -62,-0.1 10,-0.2 -0.634 29.4-144.5 -69.7 132.1 0.4 51.3 43.1 72 75 A R E -D 80 0A 147 8,-3.0 8,-2.4 -2,-0.4 2,-0.4 -0.889 24.9-171.7-101.0 116.3 2.6 48.3 43.9 73 76 A A E -D 79 0A 34 -2,-0.7 6,-0.3 6,-0.2 2,-0.1 -0.902 11.3-153.9-113.9 147.2 5.4 49.6 46.3 74 77 A S - 0 0 36 4,-3.0 3,-0.4 -2,-0.4 -66,-0.2 -0.426 29.5-112.5-100.0-179.5 8.5 47.9 47.6 75 78 A H S S+ 0 0 177 1,-0.2 4,-0.1 -2,-0.1 -70,-0.0 0.174 106.4 69.2 -98.8 12.8 10.6 48.5 50.8 76 79 A N S S- 0 0 105 2,-0.2 -1,-0.2 -72,-0.1 3,-0.1 0.008 122.2 -89.9-120.8 32.5 13.6 49.8 48.9 77 80 A G S S+ 0 0 0 -74,-0.4 27,-3.2 -3,-0.4 2,-0.3 0.743 93.2 113.2 73.9 23.0 12.1 53.2 47.7 78 81 A C E + E 0 103A 27 25,-0.2 -4,-3.0 -75,-0.1 2,-0.3 -0.860 34.8 164.1-122.7 161.0 10.7 51.7 44.4 79 82 A G E -DE 73 102A 7 23,-2.4 23,-2.9 -2,-0.3 2,-0.3 -0.991 22.1-143.7-162.7 174.4 7.3 51.0 42.9 80 83 A A E -DE 72 101A 30 -8,-2.4 -8,-3.0 -2,-0.3 21,-0.2 -0.991 17.5-176.6-143.4 144.3 5.3 50.3 39.8 81 84 A M E - E 0 100A 2 19,-2.0 19,-1.8 -2,-0.3 2,-0.4 -1.000 19.6-136.5-144.2 145.7 1.8 51.5 38.8 82 85 A P E + E 0 99A 22 0, 0.0 -14,-2.2 0, 0.0 -13,-0.6 -0.849 35.6 156.1-100.7 142.8 -0.6 50.9 35.9 83 86 A F E -CE 67 98A 10 15,-2.9 15,-2.8 -2,-0.4 2,-0.4 -0.938 33.4-130.8-154.1 170.9 -2.4 53.8 34.4 84 87 A R E -CE 66 97A 80 -18,-2.2 -18,-2.2 -2,-0.3 2,-0.5 -0.996 12.9-158.6-129.3 136.1 -4.1 55.1 31.2 85 88 A V E -CE 65 96A 16 11,-2.4 11,-2.2 -2,-0.4 2,-0.4 -0.979 8.0-158.0-116.5 129.3 -3.5 58.4 29.5 86 89 A E E +CE 64 95A 87 -22,-2.4 -22,-2.0 -2,-0.5 2,-0.3 -0.863 26.1 147.2-110.4 135.5 -6.2 59.8 27.2 87 90 A M E - E 0 94A 55 7,-2.8 7,-2.6 -2,-0.4 2,-0.4 -0.871 43.4-108.0-152.0-179.0 -5.3 62.3 24.6 88 91 A V E - E 0 93A 94 -26,-0.3 2,-0.2 -2,-0.3 -2,-0.0 -0.964 21.6-177.9-123.8 137.9 -6.0 63.8 21.1 89 92 A W S S- 0 0 146 3,-2.4 3,-0.0 -2,-0.4 -2,-0.0 -0.644 82.1 -18.0-138.8 78.4 -3.6 63.2 18.2 90 93 A N S S- 0 0 143 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 0.929 126.2 -51.1 82.3 58.9 -4.9 65.1 15.2 91 94 A G S S+ 0 0 71 1,-0.2 -1,-0.1 -3,-0.0 -3,-0.0 0.323 116.5 115.7 66.4 -10.1 -8.6 65.6 16.4 92 95 A Q - 0 0 99 -3,-0.0 -3,-2.4 32,-0.0 -1,-0.2 -0.823 63.4-138.7 -93.1 117.7 -8.6 61.9 17.1 93 96 A P E +E 88 0A 87 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.419 33.0 166.2 -65.0 148.3 -9.1 60.9 20.7 94 97 A C E -E 87 0A 12 -7,-2.6 -7,-2.8 30,-0.2 2,-0.3 -0.977 23.9-140.9-157.6 167.2 -6.9 58.0 21.8 95 98 A A E -EF 86 123A 6 28,-2.4 28,-2.5 -2,-0.3 2,-0.4 -0.946 4.2-158.0-132.3 155.1 -5.7 56.2 24.9 96 99 A L E -EF 85 122A 17 -11,-2.2 -11,-2.4 -2,-0.3 2,-0.4 -0.998 9.8-148.4-134.7 126.1 -2.4 54.6 26.0 97 100 A D E +E 84 0A 51 24,-2.0 2,-0.3 -2,-0.4 21,-0.2 -0.836 30.2 172.1 -92.1 130.4 -2.1 52.0 28.7 98 101 A V E -E 83 0A 9 -15,-2.8 -15,-2.9 -2,-0.4 2,-0.5 -0.950 29.5-152.8-139.0 151.0 1.3 52.3 30.6 99 102 A I E -EG 82 116A 83 17,-1.7 17,-3.4 -2,-0.3 2,-0.5 -0.993 17.8-159.4-120.4 124.7 3.1 50.9 33.6 100 103 A D E -EG 81 115A 1 -19,-1.8 -19,-2.0 -2,-0.5 2,-0.5 -0.868 3.3-162.1 -98.3 138.8 5.7 53.2 35.1 101 104 A V E -EG 80 114A 46 13,-2.9 13,-2.5 -2,-0.5 2,-0.4 -0.951 17.5-174.3-110.2 129.7 8.4 51.8 37.4 102 105 A M E -EG 79 113A 1 -23,-2.9 -23,-2.4 -2,-0.5 2,-0.5 -0.970 20.0-159.6-131.3 141.8 10.1 54.4 39.6 103 106 A R E -EG 78 112A 109 9,-2.4 8,-2.8 -2,-0.4 9,-1.8 -0.996 17.6-153.2-115.0 128.4 13.0 54.4 41.9 104 107 A F E - G 0 110A 3 -27,-3.2 6,-0.2 -2,-0.5 2,-0.1 -0.650 10.1-130.2 -95.7 155.3 13.2 57.2 44.5 105 108 A D > - 0 0 5 4,-2.6 3,-2.0 -2,-0.2 -1,-0.1 -0.367 37.9 -87.1 -97.5-177.9 16.3 58.6 46.1 106 109 A E T 3 S+ 0 0 111 1,-0.3 -104,-0.4 -104,-0.2 -1,-0.0 0.470 128.1 54.1 -69.7 -5.7 17.1 59.3 49.7 107 110 A H T 3 S- 0 0 112 -106,-0.2 -1,-0.3 2,-0.2 -105,-0.1 0.250 120.1-105.7-104.9 3.5 15.4 62.7 49.4 108 111 A G S < S+ 0 0 20 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.765 78.5 129.3 77.3 17.3 12.2 61.3 48.1 109 112 A R - 0 0 94 -78,-0.0 -4,-2.6 -106,-0.0 2,-0.6 -0.804 69.6 -98.9-104.5 151.7 12.7 62.4 44.5 110 113 A I E +aG 31 104A 0 -80,-3.0 -78,-3.3 -2,-0.3 -6,-0.3 -0.611 39.7 176.8 -72.7 118.9 12.3 60.2 41.4 111 114 A Q E + 0 0 33 -8,-2.8 -75,-2.2 -2,-0.6 2,-0.3 0.820 69.6 10.7 -87.9 -41.3 15.9 59.1 40.5 112 115 A T E -aG 36 103A 28 -9,-1.8 -9,-2.4 -77,-0.2 2,-0.4 -0.997 62.3-172.4-138.9 145.0 14.9 56.8 37.6 113 116 A M E -aG 37 102A 0 -77,-1.8 -75,-2.8 -2,-0.3 2,-0.5 -0.998 2.6-169.3-133.6 137.0 11.5 56.2 35.8 114 117 A Q E -aG 38 101A 43 -13,-2.5 -13,-2.9 -2,-0.4 2,-0.7 -0.996 8.4-158.0-124.5 120.3 10.9 53.5 33.2 115 118 A A E - 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