==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 18-AUG-09 3IPT . COMPND 2 MOLECULE: STEROID DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR T.D.FENN,P.A.SIGALA,D.HERSCHLAG . 493 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 28.4 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 . 3 0.6 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 . 28 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 23.7 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 4 0 0 0 0 4 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 11 1 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 0 169 0, 0.0 107,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-174.5 6.1 -20.2 25.1 2 3 A L - 0 0 75 105,-0.1 104,-0.2 1,-0.1 75,-0.1 -0.488 360.0-108.8 -64.8 121.8 3.4 -17.7 26.3 3 4 A P - 0 0 6 0, 0.0 74,-0.3 0, 0.0 101,-0.1 -0.276 29.9-123.3 -57.9 136.4 4.8 -16.7 29.7 4 5 A T > - 0 0 73 1,-0.1 4,-2.9 72,-0.1 5,-0.2 -0.278 32.1 -96.2 -70.5 169.6 2.9 -18.1 32.7 5 6 A A H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 128.8 46.4 -51.6 -47.5 1.5 -15.7 35.4 6 7 A Q H > S+ 0 0 144 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 110.6 51.7 -67.3 -38.6 4.5 -16.4 37.5 7 8 A E H > S+ 0 0 109 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.912 108.2 53.0 -54.9 -45.6 6.8 -15.9 34.6 8 9 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.4 0.885 105.9 53.2 -57.2 -48.3 5.1 -12.5 33.9 9 10 A Q H X S+ 0 0 51 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.928 111.3 46.2 -58.0 -42.0 5.7 -11.4 37.4 10 11 A G H X S+ 0 0 44 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.929 114.5 45.9 -60.4 -43.4 9.4 -12.2 37.0 11 12 A L H X S+ 0 0 45 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.918 112.6 49.2 -69.0 -40.0 9.8 -10.5 33.7 12 13 A M H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.900 112.4 48.7 -69.6 -39.3 7.9 -7.4 34.6 13 14 A A H X S+ 0 0 34 -4,-1.9 4,-2.1 -5,-0.4 3,-0.3 0.900 108.6 53.9 -65.1 -34.3 10.0 -7.1 37.8 14 15 A R H X S+ 0 0 127 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.923 102.4 58.6 -66.5 -34.8 13.2 -7.6 35.8 15 16 A S H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.890 105.7 47.9 -63.0 -34.8 12.3 -4.8 33.5 16 17 A I H X S+ 0 0 5 -4,-1.4 4,-2.8 -3,-0.3 -1,-0.2 0.911 110.1 53.8 -75.6 -37.0 12.1 -2.3 36.5 17 18 A E H X S+ 0 0 105 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.901 109.6 46.8 -50.5 -53.0 15.5 -3.6 37.7 18 19 A L H X>S+ 0 0 17 -4,-2.5 5,-2.0 2,-0.2 4,-1.4 0.876 113.0 49.0 -65.8 -43.1 17.1 -2.9 34.3 19 20 A V H <5S+ 0 0 17 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.922 108.9 54.9 -49.3 -46.7 15.4 0.7 34.2 20 21 A D H <5S+ 0 0 39 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.821 112.9 39.3 -66.0 -37.5 16.7 1.3 37.7 21 22 A V H <5S- 0 0 96 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.597 109.4-125.8 -84.9 -18.4 20.4 0.5 36.8 22 23 A G T <5 + 0 0 31 -4,-1.4 2,-1.6 -5,-0.2 -3,-0.2 0.815 47.7 164.4 91.0 25.7 19.9 2.2 33.5 23 24 A D >< - 0 0 70 -5,-2.0 4,-2.3 1,-0.2 5,-0.2 -0.592 10.9-179.0 -84.3 90.1 21.1 -0.7 31.4 24 25 A I H > S+ 0 0 23 -2,-1.6 4,-3.1 1,-0.2 5,-0.2 0.879 77.1 49.0 -62.4 -54.5 19.8 0.5 28.0 25 26 A E H > S+ 0 0 151 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 114.3 47.3 -41.8 -52.8 20.9 -2.5 25.9 26 27 A A H > S+ 0 0 20 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.878 111.9 49.5 -66.3 -42.5 19.4 -4.9 28.4 27 28 A I H >X S+ 0 0 3 -4,-2.3 3,-1.9 1,-0.2 4,-0.5 0.952 110.8 50.6 -56.2 -57.9 16.0 -3.0 28.7 28 29 A V H >< S+ 0 0 18 -4,-3.1 3,-1.9 1,-0.3 -2,-0.2 0.901 103.9 58.5 -55.0 -39.6 15.7 -2.9 24.9 29 30 A Q H 3< S+ 0 0 97 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.662 93.1 67.1 -60.0 -25.2 16.3 -6.6 24.6 30 31 A M H << S+ 0 0 11 -3,-1.9 80,-2.5 -4,-0.5 2,-0.3 0.701 93.4 78.9 -70.9 -13.7 13.4 -7.3 26.8 31 32 A Y E << S-a 110 0A 4 -3,-1.9 80,-0.2 -4,-0.5 18,-0.1 -0.676 90.5-105.0 -96.6 145.4 11.1 -6.0 24.0 32 33 A A E > - 0 0 2 78,-3.1 3,-1.8 -2,-0.3 16,-0.1 -0.258 36.3-112.1 -50.6 151.7 10.0 -7.6 20.9 33 34 A D E 3 S+ 0 0 34 1,-0.3 16,-1.9 15,-0.1 17,-0.3 0.869 119.9 32.7 -58.9 -36.9 11.9 -6.3 17.9 34 35 A D E 3 S+ 0 0 45 14,-0.2 -1,-0.3 15,-0.1 -2,-0.1 -0.067 90.8 149.5-110.6 31.7 8.6 -4.7 16.6 35 36 A A E < - 0 0 0 -3,-1.8 13,-2.5 12,-0.1 2,-0.4 -0.178 37.6-140.5 -60.4 157.2 7.1 -3.9 20.0 36 37 A T E -aB 112 47A 10 75,-1.8 77,-2.2 11,-0.2 2,-0.4 -0.984 16.7-173.2-118.6 139.9 4.8 -0.8 20.6 37 38 A V E -aB 113 46A 2 9,-2.3 9,-2.9 -2,-0.4 2,-0.6 -0.988 12.1-164.0-131.8 133.4 5.1 1.3 23.6 38 39 A E E -a 114 0A 4 75,-2.1 77,-2.8 -2,-0.4 3,-0.3 -0.949 18.7-169.0-113.1 110.2 2.7 4.1 24.5 39 40 A N S S+ 0 0 34 -2,-0.6 2,-0.2 1,-0.5 77,-0.1 -0.907 81.6 21.0-150.7 104.6 4.4 6.1 27.2 40 41 A P S > S- 0 0 28 0, 0.0 3,-2.4 0, 0.0 -1,-0.5 0.567 106.6-118.8 -78.6 151.6 2.6 8.0 28.4 41 42 A F T 3 S+ 0 0 8 74,-3.0 160,-0.5 -3,-0.3 76,-0.3 -0.358 102.9 40.2 -50.2 125.9 -0.7 6.2 27.4 42 43 A G T 3 S+ 0 0 18 1,-0.5 -1,-0.3 158,-0.1 74,-0.0 -0.011 95.7 95.7 117.4 -23.0 -2.5 8.6 25.2 43 44 A Q S < S- 0 0 95 -3,-2.4 -1,-0.5 1,-0.1 159,-0.0 -0.537 93.4 -75.0 -92.0 168.3 0.5 9.9 23.3 44 45 A P - 0 0 62 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.286 58.6-115.3 -62.7 147.7 1.5 8.6 19.9 45 46 A P - 0 0 7 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.236 15.9-132.5 -84.5 164.3 3.2 5.3 20.3 46 47 A I E -B 37 0A 41 -9,-2.9 -9,-2.3 -2,-0.0 2,-0.5 -0.955 22.5-153.4-117.9 138.7 6.8 4.4 19.5 47 48 A H E > +B 36 0A 10 -2,-0.5 4,-0.6 -11,-0.2 -11,-0.2 -0.954 44.2 12.9-116.3 133.9 7.5 1.3 17.5 48 49 A G H > S- 0 0 4 -13,-2.5 4,-1.9 -2,-0.5 3,-0.4 0.186 83.8 -80.1 97.4 149.4 10.5 -1.0 17.3 49 50 A R H > S+ 0 0 50 -16,-1.9 4,-3.2 1,-0.2 5,-0.2 0.854 124.3 57.3 -53.3 -34.0 13.6 -1.5 19.4 50 51 A E H > S+ 0 0 57 -17,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.940 109.0 41.0 -68.6 -43.5 15.3 1.3 17.9 51 52 A Q H X S+ 0 0 30 -4,-0.6 4,-1.8 -3,-0.4 -1,-0.2 0.814 116.2 52.9 -72.2 -22.3 12.8 4.0 18.8 52 53 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.949 106.4 52.6 -80.8 -32.8 12.4 2.4 22.2 53 54 A A H X S+ 0 0 19 -4,-3.2 4,-2.7 1,-0.3 5,-0.2 0.914 108.7 50.5 -59.3 -40.1 16.2 2.6 22.7 54 55 A A H X S+ 0 0 49 -4,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.852 106.3 55.2 -70.6 -42.6 16.1 6.2 22.0 55 56 A F H X S+ 0 0 81 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.955 113.6 41.0 -48.8 -57.4 13.2 6.7 24.5 56 57 A Y H X S+ 0 0 15 -4,-2.4 4,-3.6 2,-0.2 -2,-0.2 0.862 113.6 52.4 -65.5 -34.0 15.3 5.2 27.3 57 58 A R H < S+ 0 0 140 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.940 115.1 42.8 -65.2 -42.1 18.6 6.9 26.2 58 59 A Q H < S+ 0 0 173 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.925 122.6 39.4 -69.1 -36.1 16.8 10.2 26.3 59 60 A G H < 0 0 43 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.876 360.0 360.0 -89.2 -36.6 15.0 9.4 29.5 60 61 A L < 0 0 60 -4,-3.6 3,-0.2 -5,-0.2 -1,-0.2 0.488 360.0 360.0 -94.4 360.0 17.8 7.6 31.4 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 0 190 0, 0.0 2,-0.4 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 112.0 20.5 9.8 37.3 63 66 A V - 0 0 26 -3,-0.2 2,-0.3 -43,-0.1 24,-0.2 -0.981 360.0-169.4-137.2 131.3 17.2 8.1 37.3 64 67 A R E -C 86 0A 79 22,-2.5 22,-2.5 -2,-0.4 2,-0.3 -0.895 1.2-170.5-120.2 150.3 16.0 5.4 39.8 65 68 A A E +C 85 0A 1 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.982 6.0 176.1-143.9 135.3 12.8 3.1 39.5 66 69 A C E -C 84 0A 61 18,-2.1 18,-2.4 -2,-0.3 2,-0.1 -0.999 35.3-110.7-134.0 140.0 11.3 0.8 42.2 67 70 A L E -C 83 0A 64 -2,-0.3 16,-0.3 16,-0.3 4,-0.0 -0.383 22.0-163.6 -56.8 136.5 8.1 -1.4 42.3 68 71 A T S S- 0 0 74 14,-2.9 15,-0.2 1,-0.3 -1,-0.1 0.437 72.0 -3.0-111.1 10.4 5.8 0.1 44.8 69 72 A G S S- 0 0 24 13,-0.9 -1,-0.3 154,-0.0 126,-0.0 -0.957 97.2 -57.3-178.3 179.5 3.7 -3.1 45.0 70 73 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.265 53.4-103.1 -75.8 158.5 3.5 -6.5 43.5 71 74 A V - 0 0 6 10,-0.1 2,-0.6 -62,-0.1 10,-0.2 -0.597 29.0-142.3 -75.2 129.8 3.1 -7.3 39.8 72 75 A R E -D 80 0A 1 8,-3.2 8,-2.4 -2,-0.4 2,-0.4 -0.845 24.2-171.5 -91.4 120.0 -0.5 -8.3 38.9 73 76 A A E -D 79 0A 0 -2,-0.6 6,-0.3 6,-0.2 173,-0.2 -0.924 10.9-158.7-120.1 143.0 -0.3 -11.0 36.3 74 77 A S - 0 0 2 4,-2.9 3,-0.4 -2,-0.4 -66,-0.2 -0.423 32.2-109.3 -99.1-175.3 -3.1 -12.7 34.1 75 78 A H S S+ 0 0 116 92,-0.4 93,-0.1 1,-0.2 4,-0.1 0.104 104.5 71.4-108.0 17.3 -3.0 -16.0 32.4 76 79 A N S S- 0 0 49 2,-0.2 -1,-0.2 91,-0.2 28,-0.1 0.040 122.1 -85.1-127.7 34.0 -2.9 -14.7 28.9 77 80 A G S S+ 0 0 1 -3,-0.4 27,-2.9 -74,-0.3 2,-0.3 0.619 95.1 111.3 84.6 16.2 0.7 -13.4 28.9 78 81 A C E + E 0 103A 4 25,-0.2 -4,-2.9 89,-0.1 2,-0.3 -0.807 33.9 162.4-124.0 160.1 -0.2 -9.9 30.4 79 82 A G E -DE 73 102A 0 23,-2.5 23,-2.8 -2,-0.3 2,-0.3 -0.971 20.5-145.1-167.2 163.5 0.4 -8.1 33.6 80 83 A A E -DE 72 101A 0 -8,-2.4 -8,-3.2 -2,-0.3 21,-0.2 -0.992 15.9-176.6-132.5 150.3 0.4 -4.7 35.3 81 84 A M E - E 0 100A 0 19,-2.4 19,-2.1 -2,-0.3 2,-0.4 -1.000 19.3-136.8-150.0 151.1 2.6 -3.2 37.9 82 85 A P E + E 0 99A 2 0, 0.0 -14,-2.9 0, 0.0 -13,-0.9 -0.806 34.3 152.8-103.2 142.5 2.9 -0.0 39.9 83 86 A F E -CE 67 98A 13 15,-2.5 15,-2.8 -2,-0.4 2,-0.4 -0.951 35.6-122.9-159.1 171.6 6.2 1.7 40.5 84 87 A R E -CE 66 97A 84 -18,-2.4 -18,-2.1 -2,-0.3 2,-0.5 -0.986 15.5-153.7-127.9 139.7 7.8 5.0 41.2 85 88 A V E -CE 65 96A 18 11,-2.8 11,-2.4 -2,-0.4 2,-0.4 -0.935 9.4-159.3-115.4 125.7 10.6 6.8 39.0 86 89 A E E +CE 64 95A 62 -22,-2.5 -22,-2.5 -2,-0.5 2,-0.3 -0.934 27.4 139.5-101.1 138.1 12.8 9.2 40.7 87 90 A M E - E 0 94A 52 7,-2.1 7,-2.5 -2,-0.4 2,-0.4 -0.836 47.4-104.7-160.8-171.6 14.7 11.8 38.6 88 91 A V E - E 0 93A 90 -2,-0.3 2,-0.7 5,-0.2 3,-0.1 -0.996 21.4-164.1-134.0 124.7 15.9 15.4 38.4 89 92 A W E > S- E 0 92A 152 3,-2.6 3,-1.8 -2,-0.4 -2,-0.0 -0.947 77.0 -34.2-117.9 106.5 14.2 17.8 36.2 90 93 A N T 3 S- 0 0 143 -2,-0.7 -1,-0.2 1,-0.3 0, 0.0 0.902 128.1 -38.9 38.6 63.9 16.4 20.9 35.7 91 94 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.322 115.7 113.8 76.7 -8.3 17.8 20.8 39.2 92 95 A Q E < -E 89 0A 101 -3,-1.8 -3,-2.6 32,-0.0 2,-0.3 -0.860 61.7-140.2-101.9 116.8 14.5 19.8 40.8 93 96 A P E +E 88 0A 41 0, 0.0 32,-4.5 0, 0.0 2,-0.3 -0.579 36.5 164.1 -65.4 136.2 14.4 16.3 42.4 94 97 A C E -EF 87 124A 8 -7,-2.5 -7,-2.1 30,-0.3 2,-0.3 -0.868 29.9-144.5-146.8 173.7 11.0 14.7 41.6 95 98 A A E -EF 86 123A 1 28,-1.9 28,-2.6 -2,-0.3 2,-0.4 -0.971 9.4-159.3-138.6 151.5 9.2 11.3 41.7 96 99 A L E -EF 85 122A 15 -11,-2.4 -11,-2.8 -2,-0.3 2,-0.3 -0.998 11.4-142.6-136.1 128.1 6.6 10.1 39.2 97 100 A D E +E 84 0A 14 24,-1.9 2,-0.3 -2,-0.4 -13,-0.2 -0.757 30.4 173.3 -90.4 133.7 4.1 7.2 40.0 98 101 A V E -E 83 0A 6 -15,-2.8 -15,-2.5 -2,-0.3 2,-0.4 -0.973 27.1-154.2-139.9 149.7 3.4 5.1 37.0 99 102 A I E -EG 82 116A 0 17,-1.8 17,-3.5 -2,-0.3 2,-0.4 -0.994 15.7-159.5-122.2 139.1 1.6 1.9 36.3 100 103 A D E -EG 81 115A 10 -19,-2.1 -19,-2.4 -2,-0.4 2,-0.5 -0.909 2.8-161.9-115.5 138.2 2.8 -0.2 33.2 101 104 A V E -EG 80 114A 5 13,-2.7 13,-2.2 -2,-0.4 2,-0.4 -0.958 17.9-175.6-116.5 128.3 0.6 -2.7 31.6 102 105 A M E -EG 79 113A 1 -23,-2.8 -23,-2.5 -2,-0.5 2,-0.4 -0.950 19.7-161.1-132.4 141.0 2.5 -5.2 29.3 103 106 A R E -EG 78 112A 30 9,-2.3 8,-2.5 -2,-0.4 9,-1.5 -0.986 18.2-151.0-112.8 138.0 1.6 -8.0 27.1 104 107 A F E - G 0 110A 1 -27,-2.9 6,-0.2 -2,-0.4 2,-0.2 -0.683 6.1-133.8-106.6 156.5 4.2 -10.6 26.2 105 108 A D > - 0 0 13 4,-2.3 3,-1.9 -2,-0.2 -1,-0.1 -0.425 41.4 -84.9-100.0-173.5 4.6 -12.7 23.0 106 109 A E T 3 S+ 0 0 84 1,-0.3 -29,-0.0 -2,-0.2 -1,-0.0 0.602 126.3 57.7 -75.8 -7.4 5.4 -16.5 22.8 107 110 A H T 3 S- 0 0 133 2,-0.2 -1,-0.3 -104,-0.0 -105,-0.1 0.347 118.9-106.6 -98.3 5.7 9.1 -15.8 23.0 108 111 A G S < S+ 0 0 19 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.714 78.4 128.8 79.3 22.1 8.8 -14.1 26.4 109 112 A R - 0 0 86 -4,-0.0 -4,-2.3 -78,-0.0 2,-0.6 -0.762 68.8 -98.4-111.0 157.8 9.4 -10.6 25.0 110 113 A I E +aG 31 104A 0 -80,-2.5 -78,-3.1 -2,-0.3 -6,-0.3 -0.634 37.2 177.2 -81.2 119.6 7.3 -7.5 25.6 111 114 A Q E S+ 0 0 25 -8,-2.5 -75,-1.8 -2,-0.6 2,-0.3 0.827 70.6 10.8 -83.4 -41.9 5.0 -7.1 22.6 112 115 A T E -aG 36 103A 14 -9,-1.5 -9,-2.3 -77,-0.2 2,-0.4 -0.990 60.4-176.7-135.1 146.7 3.1 -4.0 24.0 113 116 A M E -aG 37 102A 0 -77,-2.2 -75,-2.1 -2,-0.3 2,-0.4 -0.991 3.6-170.6-135.6 135.1 3.7 -1.8 26.9 114 117 A Q E -aG 38 101A 20 -13,-2.2 -13,-2.7 -2,-0.4 2,-0.7 -0.991 10.9-155.1-124.3 129.6 1.3 1.1 28.0 115 118 A A E - 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