==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-APR-11 3RGR . COMPND 2 MOLECULE: STEROID DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR A.GONZALEZ,Y.TSAI,J.SCHWANS,F.SUNDEN,D.HERSCHLAG . 128 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 26.6 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 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 23.4 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 1 0 0 0 0 0 0 1 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 1 A M 0 0 114 0, 0.0 2,-0.1 0, 0.0 111,-0.1 0.000 360.0 360.0 360.0 155.3 11.6 15.4 17.3 2 2 A N - 0 0 124 1,-0.3 108,-0.1 108,-0.1 106,-0.1 -0.085 360.0 -30.7-104.5-151.5 14.2 12.7 17.3 3 3 A L S S- 0 0 50 106,-0.2 -1,-0.3 107,-0.1 106,-0.2 -0.503 88.2-105.6 -62.5 130.8 14.1 9.6 15.1 4 4 A P - 0 0 3 0, 0.0 76,-0.5 0, 0.0 -1,-0.1 -0.394 27.2-130.2 -69.1 142.6 10.4 9.2 14.8 5 5 A T > - 0 0 74 -2,-0.1 4,-2.9 74,-0.1 3,-0.2 -0.226 36.3 -97.3 -70.8 166.4 8.7 6.4 16.6 6 6 A A H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.922 130.1 51.3 -54.5 -42.7 6.3 4.1 14.7 7 7 A Q H > S+ 0 0 162 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.830 110.4 48.1 -55.1 -41.7 3.5 6.4 15.9 8 8 A E H > S+ 0 0 68 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.847 106.9 55.9 -74.8 -36.3 5.3 9.5 14.7 9 9 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.913 105.8 51.7 -61.9 -45.4 6.1 8.0 11.3 10 10 A Q H X S+ 0 0 93 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.960 112.3 47.1 -52.1 -50.1 2.3 7.4 10.8 11 11 A G H X S+ 0 0 44 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.908 113.6 46.2 -57.8 -46.5 1.7 11.0 11.7 12 12 A L H X S+ 0 0 23 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.873 113.6 47.3 -68.3 -39.8 4.4 12.4 9.4 13 13 A M H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.910 112.7 49.2 -71.4 -41.1 3.5 10.3 6.4 14 14 A A H X S+ 0 0 38 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.915 110.4 52.1 -60.2 -43.2 -0.1 11.2 6.8 15 15 A R H X S+ 0 0 120 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.911 104.6 56.1 -57.6 -45.8 0.9 14.9 7.1 16 16 A Y H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.925 107.4 48.9 -54.4 -49.7 2.9 14.6 3.8 17 17 A I H X S+ 0 0 7 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.916 108.8 53.2 -60.3 -43.9 -0.2 13.4 2.0 18 18 A E H X S+ 0 0 104 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.918 109.6 48.7 -53.0 -41.2 -2.2 16.3 3.5 19 19 A L H X>S+ 0 0 15 -4,-2.4 5,-1.8 2,-0.2 4,-1.2 0.859 111.7 48.8 -73.2 -38.7 0.4 18.8 2.2 20 20 A V H <5S+ 0 0 7 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.939 109.1 54.5 -60.3 -44.0 0.3 17.2 -1.3 21 21 A D H <5S+ 0 0 28 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.841 115.0 36.8 -61.9 -39.0 -3.4 17.3 -1.2 22 22 A V H <5S- 0 0 82 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.609 111.3-124.4 -87.5 -11.8 -3.6 21.1 -0.5 23 23 A G T <5 + 0 0 21 -4,-1.2 2,-1.2 -5,-0.2 -3,-0.2 0.826 47.1 165.3 74.8 36.3 -0.5 21.6 -2.8 24 24 A D >< + 0 0 77 -5,-1.8 4,-2.1 1,-0.2 -1,-0.2 -0.684 10.6 179.5 -87.3 98.9 1.7 23.3 -0.3 25 25 A I H > S+ 0 0 34 -2,-1.2 4,-3.4 1,-0.3 5,-0.3 0.925 77.0 47.1 -71.1 -52.7 5.1 23.2 -1.9 26 26 A E H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.871 113.1 51.8 -59.1 -30.0 7.3 25.0 0.7 27 27 A A H > S+ 0 0 8 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.928 111.0 47.3 -74.2 -39.7 5.6 22.9 3.5 28 28 A I H >< S+ 0 0 0 -4,-2.1 3,-1.4 2,-0.2 4,-0.5 0.945 112.2 49.6 -59.1 -50.0 6.5 19.7 1.5 29 29 A V H >< S+ 0 0 6 -4,-3.4 3,-1.8 1,-0.3 -2,-0.2 0.901 105.0 58.8 -60.2 -36.8 10.1 20.9 1.0 30 30 A Q H 3< S+ 0 0 128 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.697 96.2 63.2 -64.8 -21.3 10.4 21.7 4.7 31 31 A M T << S+ 0 0 9 -3,-1.4 82,-2.9 -4,-0.6 -1,-0.3 0.673 92.6 81.6 -73.4 -23.7 9.6 18.0 5.6 32 32 A Y E < S-a 113 0A 0 -3,-1.8 82,-0.2 -4,-0.5 18,-0.1 -0.621 84.1-116.9 -88.1 144.3 12.8 16.9 3.8 33 33 A A E > - 0 0 4 80,-2.8 3,-1.2 -2,-0.3 -1,-0.1 -0.267 41.2 -93.4 -67.3 164.4 16.3 17.0 5.3 34 34 A D E 3 S+ 0 0 109 1,-0.2 16,-1.8 15,-0.1 -1,-0.1 0.833 121.7 23.1 -31.7 -55.1 18.9 19.3 3.7 35 35 A D E 3 S+ 0 0 90 14,-0.2 -1,-0.2 15,-0.1 2,-0.1 -0.415 89.0 149.1-130.8 32.9 20.4 16.6 1.3 36 36 A A E < - 0 0 0 -3,-1.2 13,-2.1 77,-0.1 2,-0.3 -0.391 37.1-134.1 -70.5 154.1 17.5 14.2 1.0 37 37 A T E -aB 115 48A 26 77,-2.2 79,-1.7 11,-0.2 2,-0.4 -0.864 11.2-161.0-114.5 152.5 16.9 12.1 -2.1 38 38 A V E -aB 116 47A 3 9,-2.1 9,-2.4 -2,-0.3 2,-0.5 -0.998 3.7-170.9-129.1 126.9 13.6 11.5 -4.0 39 39 A E E -a 117 0A 36 77,-2.6 79,-3.1 -2,-0.4 3,-0.4 -0.959 16.4-172.4-117.1 110.8 13.2 8.5 -6.4 40 40 A D S S+ 0 0 48 1,-0.6 2,-0.1 -2,-0.5 79,-0.1 -0.801 79.2 20.3-155.0 101.5 9.8 9.1 -8.2 41 41 A P S > S- 0 0 33 0, 0.0 3,-2.3 0, 0.0 -1,-0.6 0.484 104.5-120.5 -73.2 151.2 9.1 6.7 -9.9 42 42 A F T 3 S+ 0 0 84 76,-2.5 78,-0.3 -3,-0.4 75,-0.1 -0.335 103.1 49.4 -55.2 132.0 11.3 4.2 -8.2 43 43 A G T 3 S+ 0 0 64 1,-0.6 -1,-0.3 76,-0.1 76,-0.0 0.084 91.9 96.1 111.8 -23.4 13.6 3.0 -10.9 44 44 A Q S < S- 0 0 116 -3,-2.3 -1,-0.6 1,-0.1 0, 0.0 -0.598 91.1 -83.5 -88.3 160.9 14.5 6.5 -12.1 45 45 A P - 0 0 103 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.376 53.5-103.3 -63.9 145.5 17.7 8.3 -10.9 46 46 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.365 23.6-136.4 -67.8 143.1 17.3 10.1 -7.5 47 47 A I E -B 38 0A 42 -9,-2.4 -9,-2.1 -2,-0.1 2,-0.4 -0.783 25.5-144.4 -90.4 154.4 17.0 13.8 -7.3 48 48 A H E > +B 37 0A 102 -2,-0.3 4,-0.7 -11,-0.2 -11,-0.2 -0.942 42.5 3.9-128.9 133.3 19.1 15.4 -4.6 49 49 A G H > S- 0 0 16 -13,-2.1 4,-2.6 -2,-0.4 -14,-0.2 0.349 83.2 -73.2 82.7 157.9 18.6 18.3 -2.2 50 50 A R H > S+ 0 0 83 -16,-1.8 4,-2.3 1,-0.2 -1,-0.1 0.771 124.9 53.3 -66.6 -30.5 15.9 20.8 -1.3 51 51 A E H > S+ 0 0 134 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.944 113.1 42.0 -67.9 -46.7 16.2 22.9 -4.5 52 52 A Q H X S+ 0 0 104 -4,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.907 115.5 51.3 -64.3 -38.6 15.8 19.9 -6.8 53 53 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.913 109.7 50.1 -65.3 -44.3 13.1 18.5 -4.6 54 54 A A H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.913 110.1 50.0 -58.3 -44.8 11.3 21.9 -4.7 55 55 A A H X S+ 0 0 37 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.880 109.5 52.6 -60.5 -41.7 11.5 22.0 -8.5 56 56 A F H X S+ 0 0 49 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.926 109.7 46.6 -58.9 -52.5 10.1 18.5 -8.7 57 57 A Y H X S+ 0 0 9 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.860 110.8 54.3 -63.5 -27.8 7.1 19.4 -6.5 58 58 A R H X S+ 0 0 114 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.902 106.7 50.1 -70.0 -38.6 6.5 22.6 -8.6 59 59 A Q H < S+ 0 0 168 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.863 120.9 37.9 -68.8 -32.4 6.4 20.6 -11.8 60 60 A G H < S+ 0 0 46 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.833 130.6 20.7 -81.5 -37.6 3.9 18.2 -10.0 61 61 A L H >< S+ 0 0 14 -4,-3.2 3,-1.7 1,-0.1 5,-0.2 0.355 87.2 99.9-123.2 -2.4 1.7 20.6 -7.9 62 62 A G T 3< S+ 0 0 57 -4,-1.5 -1,-0.1 -5,-0.3 -4,-0.1 0.430 73.1 71.0 -76.5 -1.9 2.0 24.1 -9.3 63 63 A G T 3 S- 0 0 58 -3,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 0.665 97.0-142.9 -65.5 -23.5 -1.3 23.7 -11.2 64 64 A G S < S+ 0 0 53 -3,-1.7 -2,-0.1 1,-0.1 -3,-0.1 0.256 78.4 84.6 75.5 -11.0 -2.9 23.9 -7.7 65 65 A K + 0 0 176 26,-0.1 -1,-0.1 2,-0.1 -3,-0.1 0.387 52.5 117.8-111.2 9.7 -5.7 21.3 -8.4 66 66 A V - 0 0 23 -5,-0.2 2,-0.3 -6,-0.1 24,-0.2 -0.402 46.5-160.7 -65.0 150.2 -3.9 17.9 -7.8 67 67 A R E -C 89 0A 133 22,-2.1 22,-3.1 -45,-0.1 2,-0.3 -0.964 8.6-173.5-131.0 152.5 -5.5 15.9 -4.9 68 68 A A E +C 88 0A 5 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.999 5.8 171.7-144.4 140.3 -4.0 13.1 -2.9 69 69 A C E -C 87 0A 70 18,-1.9 18,-2.0 -2,-0.3 -2,-0.0 -0.955 36.8-104.9-152.1 138.6 -5.5 10.7 -0.2 70 70 A L E -C 86 0A 63 -2,-0.3 16,-0.3 16,-0.2 4,-0.0 -0.248 21.5-166.2 -52.1 140.3 -4.4 7.6 1.7 71 71 A T S S- 0 0 65 14,-2.4 15,-0.2 1,-0.2 -1,-0.1 0.139 73.7 -0.5-119.8 18.2 -6.0 4.5 0.4 72 72 A G S S- 0 0 24 13,-0.6 -1,-0.2 0, 0.0 2,-0.0 -0.950 97.1 -58.9 173.7 176.9 -5.0 2.4 3.4 73 73 A P - 0 0 83 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.306 51.0-104.8 -76.5 152.4 -3.0 2.8 6.6 74 74 A V - 0 0 8 10,-0.2 2,-0.7 8,-0.0 10,-0.2 -0.643 29.2-145.6 -64.8 131.0 0.6 3.8 7.0 75 75 A R E -D 83 0A 146 8,-3.0 8,-2.3 -2,-0.4 2,-0.3 -0.916 25.0-169.5 -98.7 114.8 2.8 0.8 7.8 76 76 A A E -D 82 0A 39 -2,-0.7 6,-0.3 6,-0.2 2,-0.2 -0.667 12.2-148.0-108.8 160.6 5.5 2.0 10.1 77 77 A S - 0 0 31 4,-2.8 3,-0.4 -2,-0.3 -68,-0.2 -0.593 26.3-118.5-111.9 172.2 8.7 0.5 11.4 78 78 A H S S+ 0 0 182 -2,-0.2 -72,-0.1 1,-0.2 4,-0.1 0.303 106.8 65.8 -91.0 8.4 10.7 0.9 14.6 79 79 A N S S- 0 0 105 2,-0.1 -1,-0.2 -74,-0.1 -74,-0.1 -0.083 123.9 -89.8-120.4 31.3 13.7 2.3 12.8 80 80 A G S S+ 0 0 0 -76,-0.5 27,-3.0 -3,-0.4 2,-0.2 0.661 92.5 112.0 75.1 21.8 12.2 5.5 11.5 81 81 A C E + E 0 106A 27 25,-0.2 -4,-2.8 -77,-0.1 2,-0.3 -0.794 34.6 165.3-117.0 164.5 10.8 4.2 8.2 82 82 A G E -DE 76 105A 7 23,-1.9 23,-2.6 -6,-0.3 2,-0.3 -0.985 21.5-144.6-167.0 170.0 7.3 3.5 6.8 83 83 A A E -DE 75 104A 30 -8,-2.3 -8,-3.0 -2,-0.3 21,-0.2 -0.992 17.4-175.9-141.4 146.7 5.3 2.8 3.6 84 84 A M E - E 0 103A 2 19,-2.3 19,-2.0 -2,-0.3 2,-0.4 -1.000 20.7-133.7-148.3 146.3 1.8 4.0 2.6 85 85 A P E + E 0 102A 22 0, 0.0 -14,-2.4 0, 0.0 -13,-0.6 -0.826 37.1 157.9 -99.2 135.9 -0.6 3.4 -0.3 86 86 A F E -CE 70 101A 11 15,-2.7 15,-2.6 -2,-0.4 2,-0.4 -0.946 33.6-129.4-151.4 168.9 -2.3 6.5 -1.8 87 87 A R E -CE 69 100A 100 -18,-2.0 -18,-1.9 -2,-0.3 2,-0.5 -0.992 14.7-156.4-128.0 132.5 -4.0 7.8 -4.9 88 88 A V E -CE 68 99A 17 11,-2.6 11,-2.6 -2,-0.4 2,-0.5 -0.932 5.2-155.6-107.1 126.2 -3.2 11.0 -6.7 89 89 A E E +CE 67 98A 92 -22,-3.1 -22,-2.1 -2,-0.5 2,-0.3 -0.900 22.8 163.7-103.5 132.3 -5.8 12.7 -8.8 90 90 A M E - E 0 97A 28 7,-1.9 7,-3.1 -2,-0.5 2,-0.5 -0.915 36.9-130.2-139.8 159.2 -4.5 15.0 -11.5 91 91 A V E - E 0 96A 96 -2,-0.3 3,-0.1 5,-0.3 -26,-0.1 -0.996 26.4-179.2-113.9 121.4 -6.0 16.5 -14.7 92 92 A W S S- 0 0 150 3,-2.4 -1,-0.1 -2,-0.5 35,-0.0 0.165 76.7 -7.1-115.3 24.2 -3.6 15.8 -17.6 93 93 A N S S- 0 0 159 2,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.142 125.8 -59.1 144.1 55.8 -5.2 17.4 -20.7 94 94 A G S S+ 0 0 76 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.529 117.9 112.1 54.3 9.5 -8.6 18.5 -19.3 95 95 A Q S S- 0 0 70 0, 0.0 -3,-2.4 0, 0.0 -2,-0.2 -0.948 72.9-123.3-112.2 124.4 -9.1 14.8 -18.6 96 96 A P E -E 91 0A 52 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.417 33.6-175.4 -63.6 145.3 -9.2 13.6 -15.0 97 97 A C E -E 90 0A 3 -7,-3.1 -7,-1.9 -2,-0.1 2,-0.4 -0.914 13.5-155.1-133.0 158.1 -6.5 11.0 -14.2 98 98 A A E -EF 89 126A 6 28,-1.6 28,-2.3 -2,-0.3 2,-0.4 -0.992 5.8-165.1-131.6 141.0 -5.8 8.9 -11.1 99 99 A L E -EF 88 125A 14 -11,-2.6 -11,-2.6 -2,-0.4 2,-0.4 -0.983 11.7-145.6-126.6 125.9 -2.4 7.4 -10.2 100 100 A D E +E 87 0A 51 24,-2.1 2,-0.3 -2,-0.4 21,-0.2 -0.732 29.4 174.7 -90.3 133.1 -2.1 4.7 -7.5 101 101 A V E -E 86 0A 10 -15,-2.6 -15,-2.7 -2,-0.4 2,-0.4 -0.955 28.3-154.9-138.4 147.2 1.3 5.0 -5.6 102 102 A I E -EG 85 119A 83 17,-1.9 17,-3.6 -2,-0.3 2,-0.5 -0.987 18.3-159.1-121.8 122.3 3.1 3.5 -2.6 103 103 A D E -EG 84 118A 3 -19,-2.0 -19,-2.3 -2,-0.4 2,-0.5 -0.887 4.8-164.5 -97.0 137.4 5.7 5.7 -0.9 104 104 A V E -EG 83 117A 46 13,-2.5 13,-2.1 -2,-0.5 2,-0.4 -0.974 17.3-175.6-111.9 128.8 8.5 4.3 1.2 105 105 A M E -EG 82 116A 1 -23,-2.6 -23,-1.9 -2,-0.5 2,-0.5 -0.951 20.5-158.8-129.2 148.5 10.2 6.8 3.4 106 106 A R E -EG 81 115A 119 9,-2.3 8,-3.2 -2,-0.4 9,-1.9 -0.994 17.1-154.3-120.4 126.2 13.2 6.9 5.7 107 107 A F E - G 0 113A 4 -27,-3.0 6,-0.2 -2,-0.5 2,-0.1 -0.648 9.3-132.0 -97.2 153.8 13.3 9.6 8.4 108 108 A D > - 0 0 24 4,-2.7 3,-1.9 -2,-0.2 -1,-0.1 -0.277 41.2 -82.2 -96.2-174.5 16.5 11.0 10.0 109 109 A E T 3 S+ 0 0 116 1,-0.3 -106,-0.2 -106,-0.2 -1,-0.1 0.459 128.4 51.2 -72.2 -0.4 17.2 11.6 13.7 110 110 A H T 3 S- 0 0 113 2,-0.2 -1,-0.3 -108,-0.1 -107,-0.1 0.249 120.0-102.7-114.8 5.1 15.4 15.0 13.5 111 111 A G S < S+ 0 0 11 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.688 78.5 131.0 81.5 15.9 12.2 13.7 12.0 112 112 A R - 0 0 106 -111,-0.1 -4,-2.7 -80,-0.0 2,-0.4 -0.782 67.2 -98.6 -97.7 154.8 12.9 14.9 8.4 113 113 A I E +aG 32 107A 0 -82,-2.9 -80,-2.8 -2,-0.3 -6,-0.3 -0.503 38.2 176.0 -73.4 125.2 12.6 12.8 5.3 114 114 A Q E S+ 0 0 36 -8,-3.2 -77,-2.2 -2,-0.4 2,-0.4 0.810 70.8 13.6 -94.4 -47.3 16.0 11.5 4.3 115 115 A T E -aG 37 106A 26 -9,-1.9 -9,-2.3 -79,-0.2 2,-0.4 -1.000 60.0-172.5-134.0 140.6 14.8 9.3 1.5 116 116 A A E -aG 38 105A 4 -79,-1.7 -77,-2.6 -2,-0.4 2,-0.4 -0.998 3.1-175.0-128.3 131.4 11.5 9.0 -0.4 117 117 A Q E -aG 39 104A 43 -13,-2.1 -13,-2.5 -2,-0.4 2,-0.7 -0.986 8.7-160.1-130.1 115.0 10.8 6.3 -3.0 118 118 A A E - 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