==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 20-SEP-10 3OWU . COMPND 2 MOLECULE: STEROID DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR P.A.SIGALA,T.D.FENN,D.HERSCHLAG . 516 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 75.2 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 . 144 27.9 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 . 42 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 22.9 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 0 4 0 0 3 1 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 8 4 4 0 4 0 0 0 0 0 4 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 3,-0.1 0, 0.0 109,-0.1 0.000 360.0 360.0 360.0-178.4 18.1 -25.8 6.1 2 3 A L - 0 0 59 1,-0.1 106,-0.2 107,-0.1 77,-0.1 -0.449 360.0-100.3 -63.8 131.2 15.2 -24.1 4.3 3 4 A P - 0 0 5 0, 0.0 76,-0.6 0, 0.0 -1,-0.1 -0.221 37.8-119.6 -55.5 139.1 13.0 -22.4 6.8 4 5 A T > - 0 0 71 1,-0.1 4,-2.5 74,-0.1 5,-0.2 -0.232 32.2 -96.9 -70.8 168.5 9.8 -24.3 7.8 5 6 A A H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.873 128.8 47.9 -52.9 -38.2 6.4 -22.8 7.2 6 7 A Q H > S+ 0 0 138 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.852 108.5 51.7 -75.3 -35.7 6.4 -21.7 10.8 7 8 A E H > S+ 0 0 104 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.893 106.4 56.0 -66.1 -40.7 9.9 -20.2 10.7 8 9 A V H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.912 104.7 52.0 -54.6 -47.6 8.9 -18.2 7.6 9 10 A Q H X S+ 0 0 51 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.881 112.9 46.0 -57.1 -39.2 6.0 -16.6 9.6 10 11 A G H X S+ 0 0 44 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.914 114.0 47.7 -71.1 -43.2 8.5 -15.7 12.3 11 12 A L H X S+ 0 0 43 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.936 112.5 46.3 -62.6 -49.7 11.0 -14.3 9.8 12 13 A M H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.805 112.5 51.8 -69.3 -27.9 8.6 -12.2 7.8 13 14 A A H X S+ 0 0 30 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.2 0.870 107.9 51.4 -74.0 -39.2 7.0 -10.8 10.9 14 15 A R H X S+ 0 0 128 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.896 104.8 58.0 -62.1 -40.4 10.4 -9.8 12.3 15 16 A Y H X S+ 0 0 7 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.940 104.4 51.0 -55.2 -49.2 11.2 -8.0 9.1 16 17 A I H X S+ 0 0 6 -4,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.930 109.1 50.4 -53.4 -51.3 8.1 -5.8 9.5 17 18 A E H X S+ 0 0 116 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.903 110.0 51.0 -54.1 -44.7 9.2 -4.8 13.0 18 19 A L H ><>S+ 0 0 16 -4,-2.4 5,-2.1 1,-0.2 3,-0.6 0.957 111.6 45.5 -60.0 -53.2 12.7 -3.9 11.8 19 20 A V H ><5S+ 0 0 13 -4,-2.6 3,-2.1 1,-0.2 -1,-0.2 0.923 107.2 62.9 -51.1 -45.4 11.3 -1.7 9.0 20 21 A D H 3<5S+ 0 0 20 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 110.0 36.0 -52.5 -41.5 8.9 -0.2 11.6 21 22 A V T <<5S- 0 0 101 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.256 112.6-119.1 -98.1 11.1 11.7 1.1 13.8 22 23 A G T < 5 + 0 0 33 -3,-2.1 2,-1.8 -4,-0.3 -3,-0.2 0.802 50.6 166.1 59.2 31.9 13.8 2.0 10.7 23 24 A D >< + 0 0 68 -5,-2.1 4,-2.1 1,-0.2 -1,-0.2 -0.590 6.4 175.3 -79.4 85.2 16.6 -0.3 11.7 24 25 A I H > S+ 0 0 20 -2,-1.8 4,-2.6 1,-0.2 5,-0.2 0.852 73.2 53.8 -60.9 -39.2 18.4 -0.3 8.4 25 26 A E H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.927 111.7 44.4 -64.6 -45.1 21.4 -2.4 9.5 26 27 A A H > S+ 0 0 16 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.869 113.0 52.9 -65.7 -38.9 19.2 -5.2 10.9 27 28 A I H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 4,-0.4 0.972 109.7 46.3 -60.1 -55.6 17.0 -5.1 7.8 28 29 A V H >< S+ 0 0 17 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.854 105.7 62.0 -58.7 -35.1 19.9 -5.4 5.4 29 30 A Q H 3< S+ 0 0 103 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.773 96.6 59.1 -61.8 -27.0 21.3 -8.2 7.5 30 31 A M T << S+ 0 0 13 -3,-1.6 82,-2.9 -4,-0.9 2,-0.3 0.600 95.0 84.9 -77.0 -12.4 18.2 -10.3 6.8 31 32 A Y E < S-a 112 0A 0 -3,-1.6 2,-0.2 -4,-0.4 82,-0.2 -0.675 83.6-119.1 -91.3 143.9 18.9 -10.1 3.1 32 33 A A E > - 0 0 2 80,-2.2 3,-2.1 -2,-0.3 16,-0.1 -0.514 34.0-112.2 -70.3 150.7 21.2 -12.4 1.2 33 34 A D E 3 S+ 0 0 113 1,-0.3 16,-2.0 -2,-0.2 17,-0.3 0.802 117.9 38.6 -61.8 -28.9 24.1 -10.5 -0.4 34 35 A D E 3 S+ 0 0 100 14,-0.2 -1,-0.3 15,-0.1 -2,-0.0 -0.039 88.8 140.8-108.4 31.3 22.9 -11.1 -3.9 35 36 A A E < - 0 0 0 -3,-2.1 13,-2.4 12,-0.1 2,-0.4 -0.272 43.2-138.4 -67.3 156.8 19.2 -10.7 -3.0 36 37 A T E -aB 114 47A 31 77,-1.7 79,-1.7 11,-0.2 2,-0.4 -0.978 12.8-161.0-122.9 137.6 16.8 -8.9 -5.4 37 38 A V E -aB 115 46A 2 9,-2.4 9,-2.4 -2,-0.4 2,-0.5 -0.956 9.1-172.3-121.0 131.8 14.2 -6.4 -4.4 38 39 A E E -a 116 0A 39 77,-2.4 79,-2.5 -2,-0.4 3,-0.4 -0.909 15.0-177.3-125.0 102.5 11.2 -5.3 -6.4 39 40 A N S S+ 0 0 42 1,-0.6 2,-0.1 -2,-0.5 79,-0.1 -0.861 81.0 20.9-151.6 100.9 9.4 -2.4 -4.7 40 41 A P S > S- 0 0 25 0, 0.0 3,-2.1 0, 0.0 -1,-0.6 0.495 103.0-125.5 -77.9 151.9 7.0 -1.6 -6.1 41 42 A F T 3 S+ 0 0 25 76,-2.6 166,-0.5 -3,-0.4 78,-0.2 -0.392 100.0 48.2 -55.1 137.9 6.6 -4.8 -8.0 42 43 A G T 3 S+ 0 0 10 1,-0.5 -1,-0.3 164,-0.1 76,-0.0 0.067 93.6 96.6 107.8 -21.7 6.4 -3.8 -11.7 43 44 A Q S < S- 0 0 49 -3,-2.1 -1,-0.5 1,-0.1 165,-0.0 -0.664 93.3 -81.5 -94.1 155.7 9.5 -1.6 -11.3 44 45 A P - 0 0 64 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.273 55.8-111.5 -54.8 142.3 13.0 -2.8 -12.3 45 46 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.220 18.7-132.0 -70.7 163.2 14.5 -4.8 -9.5 46 47 A I E -B 37 0A 16 -9,-2.4 -9,-2.4 6,-0.0 2,-0.4 -0.973 22.7-150.8-115.1 140.0 17.5 -3.8 -7.4 47 48 A H E > +B 36 0A 109 -2,-0.4 4,-0.6 -11,-0.2 -11,-0.2 -0.898 45.4 16.5-116.2 134.7 20.3 -6.2 -6.9 48 49 A G H > S- 0 0 17 -13,-2.4 4,-2.2 -2,-0.4 -14,-0.2 0.275 81.5 -85.2 93.7 147.5 22.8 -6.8 -4.0 49 50 A R H > S+ 0 0 50 -16,-2.0 4,-2.5 1,-0.2 5,-0.2 0.763 124.1 56.9 -58.0 -26.3 23.1 -5.8 -0.4 50 51 A E H > S+ 0 0 162 -17,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.951 111.6 38.2 -73.3 -49.4 24.6 -2.5 -1.4 51 52 A Q H X S+ 0 0 57 -4,-0.6 4,-1.1 2,-0.2 -2,-0.2 0.750 117.6 53.4 -70.5 -24.9 21.8 -1.3 -3.7 52 53 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.926 108.8 47.7 -73.3 -45.1 19.3 -2.7 -1.2 53 54 A A H X S+ 0 0 14 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.911 110.5 52.3 -58.2 -44.1 20.9 -0.8 1.7 54 55 A A H X S+ 0 0 34 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.848 109.6 51.5 -61.6 -33.3 20.8 2.3 -0.4 55 56 A F H X S+ 0 0 47 -4,-1.1 4,-1.9 1,-0.2 -2,-0.2 0.925 112.6 41.6 -70.5 -47.3 17.1 1.7 -1.1 56 57 A Y H X S+ 0 0 7 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.725 111.0 61.9 -71.4 -20.1 16.2 1.2 2.6 57 58 A R H X S+ 0 0 94 -4,-1.8 4,-1.1 -5,-0.3 -2,-0.2 0.953 113.6 30.5 -70.4 -51.1 18.4 4.2 3.4 58 59 A Q H < S+ 0 0 56 -4,-1.8 5,-0.3 2,-0.2 -2,-0.2 0.774 120.8 55.1 -78.9 -25.5 16.5 6.7 1.3 59 60 A G H < S+ 0 0 33 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.896 123.2 22.7 -73.8 -41.1 13.2 4.9 1.9 60 61 A L H < S+ 0 0 31 -4,-1.9 5,-0.3 -5,-0.1 2,-0.2 0.497 109.8 88.7-105.2 -8.9 13.2 4.9 5.7 61 62 A G S < S+ 0 0 34 -4,-1.1 2,-3.1 -5,-0.2 3,-0.1 -0.578 95.0 4.7 -90.7 155.4 15.6 7.8 6.1 62 63 A G S S+ 0 0 87 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.1 -0.213 116.9 79.6 71.1 -53.2 14.7 11.5 6.4 63 64 A G S S- 0 0 42 -2,-3.1 2,-0.6 -5,-0.3 -1,-0.1 -0.195 85.7-118.2 -76.6 173.8 11.0 10.6 6.3 64 65 A K + 0 0 148 -3,-0.1 2,-0.4 2,-0.0 26,-0.1 -0.899 43.2 173.3-119.4 99.8 9.0 9.3 9.2 65 66 A V - 0 0 33 -2,-0.6 2,-0.3 -5,-0.3 24,-0.2 -0.899 15.8-177.6-119.1 132.7 7.7 5.8 8.3 66 67 A R E -C 88 0A 140 22,-2.4 22,-2.9 -2,-0.4 2,-0.3 -0.897 4.8-169.7-119.5 157.3 5.9 3.1 10.3 67 68 A A E +C 87 0A 2 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.992 5.6 178.8-143.7 136.9 4.8 -0.4 9.1 68 69 A S E -C 86 0A 53 18,-1.8 18,-2.5 -2,-0.3 2,-0.3 -0.998 32.9-112.3-139.6 146.6 2.6 -3.0 10.8 69 70 A L E -C 85 0A 63 -2,-0.3 16,-0.3 16,-0.2 4,-0.0 -0.574 25.1-172.9 -69.4 132.8 1.3 -6.5 10.0 70 71 A T + 0 0 77 14,-2.0 15,-0.2 -2,-0.3 -1,-0.1 0.224 67.1 3.5-116.0 13.7 -2.4 -6.3 9.3 71 72 A G S S- 0 0 25 13,-0.6 -1,-0.1 3,-0.0 3,-0.0 -0.958 95.9 -57.5-177.1 176.7 -3.0 -10.0 9.0 72 73 A P - 0 0 56 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.336 52.3-109.0 -70.1 148.6 -1.2 -13.4 9.4 73 74 A V - 0 0 5 10,-0.2 2,-0.5 -64,-0.1 10,-0.2 -0.657 28.9-140.5 -69.9 125.6 1.8 -14.3 7.3 74 75 A R E -D 82 0A 4 8,-3.2 8,-2.7 -2,-0.4 2,-0.4 -0.830 27.2-170.5 -87.1 127.0 0.9 -16.9 4.7 75 76 A A E -D 81 0A 0 -2,-0.5 177,-0.3 6,-0.3 6,-0.3 -0.971 12.6-159.2-132.8 134.9 3.7 -19.4 4.5 76 77 A S - 0 0 2 4,-2.6 3,-0.4 -2,-0.4 -68,-0.2 -0.281 33.4-108.3 -97.5-177.2 4.5 -22.3 2.2 77 78 A H S S+ 0 0 118 94,-0.5 95,-0.1 1,-0.2 4,-0.1 0.380 106.1 71.1 -97.3 4.9 6.8 -25.3 2.5 78 79 A N S S- 0 0 50 93,-0.3 -1,-0.2 2,-0.1 28,-0.2 -0.189 121.3 -90.2-110.7 42.8 9.5 -24.0 0.1 79 80 A G S S+ 0 0 0 -76,-0.6 27,-2.8 -3,-0.4 2,-0.3 0.694 93.4 115.0 66.5 20.9 10.9 -21.2 2.2 80 81 A S E + E 0 105A 2 25,-0.2 -4,-2.6 91,-0.1 2,-0.3 -0.800 33.5 161.0-122.2 162.4 8.4 -18.6 0.9 81 82 A G E -DE 75 104A 0 23,-2.0 23,-2.3 -2,-0.3 2,-0.3 -0.980 23.5-140.1-166.1 170.9 5.5 -16.6 2.2 82 83 A A E -DE 74 103A 0 -8,-2.7 -8,-3.2 -2,-0.3 21,-0.2 -0.991 17.2-174.1-144.2 136.9 3.3 -13.5 1.8 83 84 A M E - E 0 102A 0 19,-2.1 19,-1.9 -2,-0.3 2,-0.4 -0.947 20.7-132.2-131.1 152.2 2.0 -11.0 4.3 84 85 A P E + E 0 101A 5 0, 0.0 -14,-2.0 0, 0.0 -13,-0.6 -0.834 37.6 163.0 -95.4 139.6 -0.4 -8.1 4.3 85 86 A X E -CE 69 100A 3 15,-2.6 15,-2.5 -2,-0.4 2,-0.4 -0.959 34.0-127.4-151.9 168.4 0.8 -4.9 5.9 86 87 A R E -CE 68 99A 63 -18,-2.5 -18,-1.8 -2,-0.3 2,-0.5 -0.987 17.0-159.5-125.1 126.1 0.2 -1.1 6.3 87 88 A V E -CE 67 98A 27 11,-2.7 11,-2.0 -2,-0.4 2,-0.5 -0.912 5.8-160.9-108.6 121.0 2.9 1.4 5.7 88 89 A E E +CE 66 97A 62 -22,-2.9 -22,-2.4 -2,-0.5 2,-0.3 -0.886 29.7 131.1-104.3 126.0 2.5 4.9 7.2 89 90 A M E - E 0 96A 32 7,-2.0 7,-3.2 -2,-0.5 2,-0.7 -0.956 60.0 -83.3-158.4 175.2 4.5 7.8 5.8 90 91 A V E - E 0 95A 68 -2,-0.3 2,-0.5 5,-0.2 3,-0.2 -0.803 44.9-176.8 -90.4 117.7 4.3 11.4 4.5 91 92 A W E > - E 0 94A 19 3,-3.3 3,-1.4 -2,-0.7 212,-0.1 -0.966 69.2 -9.5-121.6 120.3 3.3 11.4 0.9 92 93 A N T 3 S- 0 0 98 -2,-0.5 -1,-0.2 1,-0.3 211,-0.0 0.943 130.0 -56.2 58.5 46.8 3.2 14.6 -1.1 93 94 A G T 3 S+ 0 0 73 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.329 122.5 99.4 71.9 -9.3 3.6 16.6 2.2 94 95 A Q E < S-E 91 0A 88 -3,-1.4 -3,-3.3 -5,-0.0 -1,-0.1 -0.911 82.5-104.9-115.9 140.4 0.6 14.8 3.7 95 96 A P E +E 90 0A 69 0, 0.0 32,-1.9 0, 0.0 2,-0.3 -0.360 51.1 176.6 -56.5 131.2 0.4 11.9 6.1 96 97 A S E -EF 89 126A 4 -7,-3.2 -7,-2.0 30,-0.2 2,-0.4 -0.915 28.4-140.7-140.5 160.8 -0.7 8.8 4.2 97 98 A A E -EF 88 125A 0 28,-3.3 28,-3.4 -2,-0.3 2,-0.4 -0.965 15.7-163.1-122.7 144.1 -1.3 5.1 4.6 98 99 A L E -EF 87 124A 6 -11,-2.0 -11,-2.7 -2,-0.4 2,-0.4 -0.990 13.5-139.8-132.6 122.5 -0.4 2.6 2.0 99 100 A D E +E 86 0A 17 24,-2.5 2,-0.3 -2,-0.4 21,-0.3 -0.712 32.3 176.4 -82.0 130.4 -1.7 -1.0 1.8 100 101 A V E -E 85 0A 5 -15,-2.5 -15,-2.6 -2,-0.4 2,-0.4 -0.926 26.9-157.1-134.7 151.4 1.0 -3.4 0.8 101 102 A I E -EG 84 118A 0 17,-1.4 17,-3.2 -2,-0.3 2,-0.5 -0.965 16.8-157.5-129.4 117.9 1.5 -7.2 0.3 102 103 A D E -EG 83 117A 8 -19,-1.9 -19,-2.1 -2,-0.4 2,-0.5 -0.830 4.1-165.0 -98.4 128.4 5.1 -8.5 0.6 103 104 A V E -EG 82 116A 5 13,-3.1 13,-2.3 -2,-0.5 2,-0.4 -0.956 16.1-177.1-108.5 122.8 6.1 -11.8 -1.0 104 105 A M E -EG 81 115A 1 -23,-2.3 -23,-2.0 -2,-0.5 2,-0.4 -0.939 19.3-160.4-124.5 144.3 9.4 -13.2 0.2 105 106 A R E -EG 80 114A 106 9,-2.2 8,-2.9 -2,-0.4 9,-1.9 -0.986 15.9-158.5-117.6 134.7 11.6 -16.2 -0.7 106 107 A F E - G 0 112A 3 -27,-2.8 6,-0.2 -2,-0.4 2,-0.1 -0.735 7.8-134.1-109.8 156.3 14.2 -17.4 1.8 107 108 A D > - 0 0 15 4,-2.2 3,-2.0 -2,-0.3 -1,-0.0 -0.400 40.6 -85.8-100.4-177.7 17.3 -19.5 1.2 108 109 A E T 3 S+ 0 0 101 1,-0.3 -1,-0.0 -106,-0.2 -29,-0.0 0.508 127.2 57.6 -66.4 -2.4 18.7 -22.5 3.1 109 110 A H T 3 S- 0 0 129 2,-0.2 -1,-0.3 -106,-0.0 3,-0.1 0.397 118.3-106.1-109.3 -1.8 20.4 -19.9 5.4 110 111 A G S < S+ 0 0 22 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.629 78.9 127.9 86.3 15.3 17.3 -18.1 6.6 111 112 A R - 0 0 89 -80,-0.0 -4,-2.2 1,-0.0 2,-0.6 -0.732 68.3-100.2-106.9 154.1 18.0 -15.0 4.5 112 113 A I E +aG 31 106A 0 -82,-2.9 -80,-2.2 -2,-0.3 -6,-0.3 -0.602 38.5 170.9 -75.9 114.2 15.8 -13.2 2.0 113 114 A Q E S+ 0 0 41 -8,-2.9 -77,-1.7 -2,-0.6 2,-0.4 0.807 71.2 22.8 -87.3 -34.4 16.7 -14.3 -1.6 114 115 A T E -aG 36 105A 18 -9,-1.9 -9,-2.2 -79,-0.2 2,-0.4 -0.990 62.6-178.0-139.7 139.0 13.7 -12.6 -3.2 115 116 A M E +aG 37 104A 0 -79,-1.7 -77,-2.4 -2,-0.4 2,-0.4 -0.983 2.9 175.4-140.8 127.8 11.4 -9.7 -2.1 116 117 A Q E -aG 38 103A 34 -13,-2.3 -13,-3.1 -2,-0.4 2,-0.6 -0.986 12.4-161.0-134.1 126.0 8.4 -8.2 -3.9 117 118 A A E - 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