==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 01-AUG-11 3T8N . COMPND 2 MOLECULE: STEROID DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR A.GONZALEZ,Y.TSAI,J.SCHWANS,F.SUNDEN,D.HERSCHLAG . 516 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 27.5 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 . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 8 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 . 24 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 1 0 0 0 0 3 1 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 9 3 4 0 4 0 0 0 0 1 3 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 4 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 0 174 0, 0.0 109,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 175.1 -7.0 -58.3 10.7 2 3 A L - 0 0 62 1,-0.1 106,-0.2 75,-0.1 77,-0.1 -0.434 360.0 -90.0 -61.3 147.7 -8.1 -55.0 9.4 3 4 A P - 0 0 7 0, 0.0 76,-0.5 0, 0.0 -1,-0.1 -0.355 45.0-114.9 -58.5 144.3 -11.3 -54.0 11.1 4 5 A T > - 0 0 64 74,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.191 33.5 -97.5 -66.9 167.0 -14.4 -55.2 9.3 5 6 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.907 127.9 50.1 -58.0 -41.9 -16.8 -52.6 7.9 6 7 A Q H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 109.8 50.6 -62.1 -41.3 -19.0 -52.9 11.0 7 8 A E H > S+ 0 0 107 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.877 107.6 53.1 -65.1 -39.6 -16.0 -52.4 13.2 8 9 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.917 107.3 52.4 -58.5 -45.9 -14.9 -49.3 11.3 9 10 A Q H X S+ 0 0 52 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.928 112.4 45.8 -53.8 -47.4 -18.4 -48.0 11.8 10 11 A G H X S+ 0 0 44 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.919 115.2 45.7 -60.2 -48.1 -18.0 -48.6 15.6 11 12 A L H X S+ 0 0 45 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.923 112.7 47.5 -66.6 -46.5 -14.6 -47.1 15.8 12 13 A M H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.911 112.9 49.5 -66.6 -37.4 -15.2 -44.0 13.8 13 14 A A H X S+ 0 0 27 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.906 109.2 53.4 -65.2 -41.0 -18.4 -43.3 15.7 14 15 A R H X S+ 0 0 131 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.851 102.3 58.9 -60.0 -39.5 -16.4 -43.8 19.0 15 16 A A H X S+ 0 0 12 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.914 107.3 45.9 -58.5 -44.0 -13.8 -41.2 17.9 16 17 A I H X S+ 0 0 9 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.914 110.9 51.9 -64.4 -45.3 -16.5 -38.5 17.6 17 18 A E H X S+ 0 0 138 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.834 107.6 53.6 -63.6 -30.9 -18.1 -39.4 21.0 18 19 A L H X>S+ 0 0 16 -4,-2.0 5,-1.8 2,-0.2 4,-0.9 0.876 109.2 47.7 -71.2 -38.0 -14.7 -39.1 22.6 19 20 A V H ><5S+ 0 0 20 -4,-1.6 3,-0.9 2,-0.2 -2,-0.2 0.932 106.5 59.0 -59.9 -45.2 -14.2 -35.6 21.2 20 21 A D H 3<5S+ 0 0 52 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.804 114.0 36.5 -56.6 -36.0 -17.7 -34.7 22.4 21 22 A V H 3<5S- 0 0 107 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.478 108.8-123.1 -97.5 -3.3 -16.6 -35.6 26.0 22 23 A G T <<5 + 0 0 37 -3,-0.9 2,-1.4 -4,-0.9 -3,-0.2 0.766 48.3 162.8 73.9 28.4 -13.0 -34.2 25.7 23 24 A D >< - 0 0 73 -5,-1.8 4,-2.5 1,-0.2 5,-0.2 -0.610 12.5-178.5 -82.0 87.1 -11.3 -37.4 26.6 24 25 A I H > S+ 0 0 34 -2,-1.4 4,-2.7 1,-0.2 5,-0.2 0.913 78.1 48.0 -60.3 -47.2 -7.7 -36.7 25.4 25 26 A E H > S+ 0 0 111 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.932 113.1 48.7 -61.5 -44.1 -6.1 -40.0 26.3 26 27 A A H > S+ 0 0 13 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.910 112.6 48.2 -59.2 -42.8 -9.0 -42.0 24.8 27 28 A I H >< S+ 0 0 7 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.956 114.6 45.6 -59.4 -49.8 -8.8 -40.0 21.6 28 29 A V H >< S+ 0 0 9 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.875 105.1 60.4 -67.2 -38.1 -5.0 -40.4 21.3 29 30 A Q H 3< S+ 0 0 106 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.751 95.0 63.8 -64.7 -20.8 -5.1 -44.1 22.1 30 31 A M T << S+ 0 0 14 -3,-0.9 82,-2.8 -4,-0.9 -1,-0.3 0.708 94.5 79.6 -73.5 -20.5 -7.2 -44.7 19.0 31 32 A Y E < S-a 112 0A 3 -3,-1.9 82,-0.2 -4,-0.4 18,-0.1 -0.643 88.0-108.8 -90.6 150.0 -4.3 -43.5 16.9 32 33 A A E > - 0 0 5 80,-3.0 3,-1.8 -2,-0.3 16,-0.1 -0.314 39.2-106.4 -62.3 154.5 -1.2 -45.4 15.8 33 34 A D E 3 S+ 0 0 112 1,-0.3 16,-2.5 15,-0.1 17,-0.3 0.845 119.9 30.0 -54.3 -39.6 1.9 -44.2 17.5 34 35 A D E 3 S+ 0 0 86 14,-0.3 -1,-0.3 15,-0.1 -2,-0.1 -0.134 89.3 153.0-116.3 37.5 3.1 -42.5 14.3 35 36 A A E < - 0 0 0 -3,-1.8 13,-3.0 77,-0.1 2,-0.5 -0.159 38.3-131.0 -64.0 159.9 -0.3 -41.6 12.7 36 37 A T E -aB 114 47A 38 77,-2.2 79,-2.1 11,-0.2 2,-0.4 -0.978 19.0-170.4-119.5 124.5 -0.8 -38.7 10.3 37 38 A V E -aB 115 46A 0 9,-3.1 9,-3.4 -2,-0.5 2,-0.5 -0.944 7.2-171.3-112.0 128.4 -3.6 -36.2 10.8 38 39 A E E -a 116 0A 49 77,-2.4 79,-2.8 -2,-0.4 3,-0.5 -0.957 15.3-175.4-117.8 108.2 -4.5 -33.6 8.1 39 40 A D S S+ 0 0 34 1,-0.6 79,-0.1 -2,-0.5 2,-0.1 -0.818 80.4 19.2-157.1 96.4 -7.1 -31.3 9.6 40 41 A P S > S- 0 0 27 0, 0.0 3,-2.5 0, 0.0 -1,-0.6 0.476 104.7-122.8 -77.0 145.9 -8.1 -29.3 7.7 41 42 A F T 3 S+ 0 0 19 76,-3.0 166,-0.4 -3,-0.5 78,-0.3 -0.353 100.7 45.1 -50.3 135.0 -7.0 -31.3 4.7 42 43 A G T 3 S+ 0 0 37 1,-0.5 -1,-0.3 164,-0.1 76,-0.0 -0.030 95.0 96.1 107.6 -26.9 -4.6 -29.0 2.7 43 44 A Q S < S- 0 0 114 -3,-2.5 -1,-0.5 1,-0.2 165,-0.0 -0.498 91.9 -72.7 -90.6 165.3 -2.7 -27.8 5.8 44 45 A P - 0 0 94 0, 0.0 -5,-0.4 0, 0.0 -1,-0.2 -0.187 60.2 -98.9 -62.9 149.4 0.5 -29.3 6.9 45 46 A P - 0 0 76 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.312 20.5-139.4 -72.8 147.3 0.3 -32.7 8.4 46 47 A I E -B 37 0A 21 -9,-3.4 -9,-3.1 -2,-0.0 2,-0.5 -0.942 28.3-163.1-100.1 127.5 0.2 -33.5 12.2 47 48 A H E > +B 36 0A 104 -2,-0.5 4,-0.5 -11,-0.2 -11,-0.2 -0.951 37.8 4.9-128.3 127.2 2.4 -36.5 12.8 48 49 A G H > S- 0 0 10 -13,-3.0 4,-2.7 -2,-0.5 -14,-0.3 0.296 82.0 -80.2 88.8 153.3 2.6 -38.9 15.8 49 50 A R H > S+ 0 0 58 -16,-2.5 4,-2.7 1,-0.2 5,-0.2 0.816 124.0 56.3 -57.8 -38.3 0.7 -39.3 19.1 50 51 A E H > S+ 0 0 156 -17,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.970 114.8 36.9 -59.5 -51.2 2.6 -36.5 20.8 51 52 A Q H X S+ 0 0 99 -4,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.840 117.4 52.4 -71.3 -34.4 1.7 -33.8 18.2 52 53 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.896 108.7 50.5 -67.9 -40.2 -1.8 -35.3 17.7 53 54 A A H X S+ 0 0 7 -4,-2.7 4,-2.9 -5,-0.3 -2,-0.2 0.916 110.6 49.4 -63.6 -41.5 -2.4 -35.2 21.5 54 55 A A H X S+ 0 0 22 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.863 108.8 53.7 -63.6 -39.9 -1.3 -31.5 21.5 55 56 A F H X S+ 0 0 62 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.950 115.8 37.7 -58.5 -52.1 -3.6 -30.8 18.6 56 57 A Y H X S+ 0 0 26 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.878 115.6 53.5 -69.5 -37.7 -6.7 -32.2 20.4 57 58 A R H X S+ 0 0 126 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.945 113.5 42.8 -62.6 -45.9 -5.6 -30.8 23.8 58 59 A Q H < S+ 0 0 153 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.930 117.9 46.2 -65.4 -43.9 -5.3 -27.3 22.3 59 60 A G H < S+ 0 0 49 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.845 120.9 37.1 -62.7 -37.8 -8.6 -27.7 20.4 60 61 A L H >< S+ 0 0 23 -4,-2.9 3,-0.6 -5,-0.1 2,-0.5 0.593 89.7 126.0-101.6 -14.8 -10.6 -29.2 23.3 61 62 A G T 3< S+ 0 0 52 -4,-2.0 -39,-0.0 -5,-0.3 3,-0.0 -0.784 71.3 13.9 -81.9 130.9 -9.1 -27.2 26.1 62 63 A G T 3 S- 0 0 81 -2,-0.5 -1,-0.2 3,-0.0 -2,-0.1 -0.116 103.8-109.2-164.8 94.6 -11.0 -25.8 27.8 63 64 A G S < S+ 0 0 50 -3,-0.6 2,-1.1 2,-0.1 -2,-0.1 -0.633 72.6 108.0-164.6 53.6 -13.6 -26.9 27.1 64 65 A K + 0 0 162 26,-0.1 2,-0.4 2,-0.0 26,-0.2 -0.577 55.6 123.8-101.2 65.6 -16.8 -25.9 25.4 65 66 A V - 0 0 26 -2,-1.1 2,-0.3 -5,-0.2 24,-0.2 -0.993 34.3-176.7-124.0 134.8 -16.5 -28.0 22.3 66 67 A R E -C 88 0A 144 22,-2.2 22,-2.5 -2,-0.4 2,-0.3 -0.881 2.3-171.4-125.0 158.3 -19.1 -30.5 21.2 67 68 A A E +C 87 0A 3 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.964 6.0 175.5-149.0 139.9 -19.1 -33.0 18.3 68 69 A a E -C 86 0A 52 18,-1.7 18,-1.8 -2,-0.3 -2,-0.0 -0.994 34.2-110.1-149.9 134.7 -21.8 -35.3 16.8 69 70 A L E -C 85 0A 53 -2,-0.3 16,-0.3 16,-0.2 4,-0.0 -0.328 23.5-169.2 -54.2 141.9 -22.2 -37.6 13.8 70 71 A T + 0 0 59 14,-2.6 15,-0.2 1,-0.2 -1,-0.1 0.180 68.0 2.9-120.4 17.2 -24.7 -36.2 11.4 71 72 A G S S- 0 0 23 13,-0.6 -1,-0.2 158,-0.0 3,-0.1 -0.956 96.1 -56.7-179.4 176.9 -25.1 -39.3 9.3 72 73 A P - 0 0 53 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.293 52.8-108.2 -69.7 146.6 -24.0 -42.9 9.1 73 74 A V - 0 0 7 10,-0.1 2,-0.5 -64,-0.1 10,-0.2 -0.609 28.7-142.9 -66.8 128.9 -20.4 -43.9 8.9 74 75 A R E -D 82 0A 2 8,-2.9 8,-2.5 -2,-0.4 2,-0.4 -0.856 26.3-172.1 -92.8 123.3 -19.5 -45.2 5.4 75 76 A A E -D 81 0A 0 -2,-0.5 177,-0.3 6,-0.2 6,-0.3 -0.973 13.2-152.7-128.5 139.3 -17.1 -48.1 5.8 76 77 A S - 0 0 1 4,-3.1 3,-0.4 -2,-0.4 -68,-0.2 -0.315 29.9-114.2 -90.3-178.9 -15.1 -50.2 3.3 77 78 A H S S+ 0 0 118 94,-0.5 95,-0.1 1,-0.2 -75,-0.1 0.250 107.8 66.7 -98.8 9.7 -13.8 -53.7 3.4 78 79 A N S S- 0 0 54 93,-0.2 -1,-0.2 2,-0.2 28,-0.1 -0.068 122.4 -89.8-121.2 33.0 -10.2 -52.5 3.6 79 80 A G S S+ 0 0 0 -76,-0.5 27,-3.0 -3,-0.4 2,-0.3 0.695 90.6 112.4 76.1 20.9 -10.2 -50.9 6.9 80 81 A C E + E 0 105A 5 25,-0.2 -4,-3.1 91,-0.1 2,-0.3 -0.834 33.8 164.1-123.8 162.1 -11.2 -47.4 5.9 81 82 A G E -DE 75 104A 0 23,-2.3 23,-2.5 -2,-0.3 2,-0.3 -0.987 22.0-142.0-164.1 173.1 -14.2 -45.2 6.3 82 83 A A E -DE 74 103A 0 -8,-2.5 -8,-2.9 -2,-0.3 21,-0.2 -0.996 16.7-175.1-144.0 148.7 -15.7 -41.7 6.1 83 84 A M E - E 0 102A 1 19,-2.2 19,-2.2 -2,-0.3 2,-0.4 -0.999 19.6-135.4-147.5 144.0 -18.2 -39.9 8.3 84 85 A P E + E 0 101A 3 0, 0.0 -14,-2.6 0, 0.0 -13,-0.6 -0.813 36.0 157.4 -98.1 140.7 -20.0 -36.6 8.3 85 86 A F E -CE 69 100A 21 15,-2.9 15,-2.8 -2,-0.4 2,-0.4 -0.951 34.1-128.9-153.5 169.3 -20.2 -34.6 11.6 86 87 A R E -CE 68 99A 73 -18,-1.8 -18,-1.7 -2,-0.3 2,-0.4 -0.993 15.7-158.3-127.0 128.1 -20.7 -31.1 13.2 87 88 A V E -CE 67 98A 23 11,-2.7 11,-2.7 -2,-0.4 2,-0.5 -0.863 5.0-155.3-103.6 136.1 -18.4 -29.5 15.7 88 89 A E E +CE 66 97A 37 -22,-2.5 -22,-2.2 -2,-0.4 2,-0.3 -0.948 31.4 144.3-112.4 127.9 -19.7 -26.8 18.0 89 90 A M E - E 0 96A 17 7,-1.8 7,-2.2 -2,-0.5 2,-0.7 -0.969 48.9 -98.6-156.5 167.8 -17.0 -24.4 19.3 90 91 A V E + E 0 95A 79 -2,-0.3 2,-0.5 -26,-0.2 -26,-0.1 -0.874 33.0 169.7-100.2 112.2 -16.3 -20.7 20.3 91 92 A W E > S- E 0 94A 103 3,-1.3 3,-0.6 -2,-0.7 -2,-0.1 -0.983 82.5 -13.5-113.9 113.8 -14.4 -18.6 17.8 92 93 A N T 3 S- 0 0 170 -2,-0.5 -1,-0.0 1,-0.2 -2,-0.0 0.687 119.4 -66.1 73.0 24.5 -14.5 -14.9 19.1 93 94 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.2 3,-0.0 3,-0.0 -0.090 110.3 115.4 88.7 -33.7 -17.2 -15.4 21.7 94 95 A Q E < S-E 91 0A 103 -3,-0.6 -3,-1.3 1,-0.1 -1,-0.3 -0.524 75.8-117.5 -72.8 128.8 -19.8 -16.2 19.1 95 96 A P E -E 90 0A 28 0, 0.0 32,-2.1 0, 0.0 2,-0.3 -0.495 44.3-173.6 -61.9 133.7 -21.1 -19.7 19.3 96 97 A C E -EF 89 126A 8 -7,-2.2 -7,-1.8 30,-0.3 2,-0.4 -0.894 20.3-151.3-132.5 159.7 -20.1 -21.4 16.0 97 98 A A E -EF 88 125A 4 28,-3.1 28,-2.9 -2,-0.3 2,-0.4 -0.992 6.3-162.7-132.7 146.5 -20.6 -24.7 14.2 98 99 A L E -EF 87 124A 9 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.5 -0.985 10.3-147.4-130.1 121.9 -18.4 -26.4 11.7 99 100 A D E +E 86 0A 38 24,-2.2 2,-0.3 -2,-0.4 21,-0.2 -0.766 29.9 171.0 -90.2 134.9 -19.5 -29.1 9.3 100 101 A V E -E 85 0A 3 -15,-2.8 -15,-2.9 -2,-0.5 2,-0.4 -0.939 28.5-153.3-141.3 148.4 -16.7 -31.7 8.6 101 102 A I E -EG 84 118A 0 17,-1.5 17,-3.0 -2,-0.3 2,-0.5 -0.998 18.1-160.8-120.9 130.1 -16.2 -35.0 6.9 102 103 A A E -EG 83 117A 2 -19,-2.2 -19,-2.2 -2,-0.4 2,-0.4 -0.937 4.4-160.7-109.1 134.3 -13.3 -37.2 8.2 103 104 A V E -EG 82 116A 3 13,-2.9 13,-2.8 -2,-0.5 2,-0.4 -0.949 15.4-171.4-108.9 133.4 -11.8 -40.0 6.3 104 105 A M E -EG 81 115A 6 -23,-2.5 -23,-2.3 -2,-0.4 2,-0.4 -0.967 17.4-160.5-127.5 142.7 -9.9 -42.7 8.3 105 106 A R E -EG 80 114A 112 9,-2.4 8,-3.2 -2,-0.4 9,-1.5 -0.996 17.4-156.7-118.4 133.1 -7.7 -45.6 7.5 106 107 A F E - G 0 112A 1 -27,-3.0 6,-0.2 -2,-0.4 2,-0.1 -0.692 6.4-136.3-107.4 150.1 -7.1 -48.2 10.2 107 108 A D > - 0 0 25 4,-2.7 3,-1.8 -2,-0.3 -1,-0.1 -0.353 39.0 -88.4 -93.5-177.9 -4.3 -50.7 10.6 108 109 A E T 3 S+ 0 0 117 1,-0.3 -29,-0.0 -106,-0.2 -1,-0.0 0.569 126.2 58.4 -70.7 -11.0 -4.3 -54.4 11.5 109 110 A H T 3 S- 0 0 145 2,-0.2 -1,-0.3 -106,-0.0 3,-0.1 0.382 120.0-108.4 -94.6 3.0 -4.2 -53.5 15.2 110 111 A G S < S+ 0 0 24 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.624 76.8 132.7 82.5 13.4 -7.4 -51.5 14.8 111 112 A R - 0 0 101 -80,-0.0 -4,-2.7 1,-0.0 2,-0.5 -0.685 65.1-103.0 -98.6 155.2 -5.6 -48.2 15.3 112 113 A I E +aG 31 106A 0 -82,-2.8 -80,-3.0 -2,-0.3 -6,-0.3 -0.624 35.8 176.2 -79.8 117.9 -6.0 -45.0 13.1 113 114 A Q E + 0 0 42 -8,-3.2 -77,-2.2 -2,-0.5 2,-0.4 0.817 69.2 11.1 -87.2 -43.2 -3.1 -44.7 10.7 114 115 A T E -aG 36 105A 28 -9,-1.5 -9,-2.4 -79,-0.2 2,-0.4 -0.993 59.0-173.3-137.8 145.8 -4.3 -41.7 8.8 115 116 A M E -aG 37 104A 5 -79,-2.1 -77,-2.4 -2,-0.4 2,-0.4 -0.991 2.1-171.5-134.7 128.4 -7.1 -39.2 9.2 116 117 A Q E -aG 38 103A 28 -13,-2.8 -13,-2.9 -2,-0.4 2,-0.5 -0.988 6.3-164.4-112.5 132.9 -8.1 -36.5 6.7 117 118 A A E - 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