==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-APR-03 1OYV . COMPND 2 MOLECULE: SUBTILISIN CARLSBERG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR I.H.BARRETTE-NG,K.K.NG,M.M.CHERNEY,G.PEARCE,C.A.RYAN, . 652 4 8 5 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 453 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 9.2 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.5 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 . 50 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 5 1 2 0 0 0 4 0 2 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 2 5 3 2 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 . 9 4 4 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 4 0 0 0 0 0 0 2 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 A 0 0 120 0, 0.0 2,-0.3 0, 0.0 76,-0.1 0.000 360.0 360.0 360.0 -3.4 9.2 -13.1 49.1 2 2 A Q - 0 0 45 74,-0.1 2,-0.3 76,-0.1 78,-0.2 -0.627 360.0-148.5 -83.7 135.7 9.2 -10.2 46.6 3 3 A T - 0 0 61 76,-3.7 78,-0.1 -2,-0.3 75,-0.1 -0.749 3.9-145.1-101.9 148.1 12.1 -9.9 44.2 4 4 A V - 0 0 71 -2,-0.3 2,-0.1 76,-0.2 78,-0.1 -0.942 21.2-134.0-116.5 106.9 13.4 -6.6 42.9 5 5 A P > - 0 0 11 0, 0.0 3,-2.1 0, 0.0 199,-0.1 -0.385 23.6-115.2 -61.2 131.2 14.7 -7.0 39.3 6 6 A Y T 3> S+ 0 0 62 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.719 110.4 71.4 -39.1 -31.7 18.1 -5.3 38.8 7 7 A G H 3> S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 6,-0.3 0.884 89.7 57.4 -57.0 -44.1 16.4 -2.9 36.4 8 8 A I H <4>S+ 0 0 2 -3,-2.1 5,-2.0 1,-0.2 6,-0.7 0.972 113.1 37.6 -55.0 -58.0 14.5 -1.0 39.1 9 9 A P H >45S+ 0 0 49 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.928 112.1 61.6 -61.5 -39.1 17.5 -0.0 41.1 10 10 A L H 3<5S+ 0 0 38 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.871 109.4 38.1 -55.2 -43.5 19.5 0.5 37.9 11 11 A I T 3<5S- 0 0 0 -4,-2.3 258,-2.1 -3,-0.3 259,-0.6 0.388 115.9-116.8 -88.3 6.2 17.3 3.3 36.6 12 12 A K T <>5S+ 0 0 71 -3,-1.7 4,-1.5 -4,-0.4 -2,-0.1 0.716 71.2 139.8 65.6 26.9 16.9 4.6 40.2 13 13 A A H >< + 0 0 0 -5,-2.0 4,-1.9 -6,-0.3 5,-0.1 0.743 66.5 61.0 -69.0 -25.3 13.2 3.9 40.2 14 14 A D H > S+ 0 0 54 -6,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.919 101.4 52.0 -68.3 -42.0 13.5 2.6 43.7 15 15 A K H > S+ 0 0 105 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.932 111.9 46.4 -57.3 -48.5 14.8 6.0 44.9 16 16 A V H <>S+ 0 0 0 -4,-1.5 5,-1.6 1,-0.2 4,-0.3 0.870 109.5 54.1 -64.3 -37.1 11.8 7.7 43.3 17 17 A Q H ><5S+ 0 0 18 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.789 104.7 55.5 -66.3 -30.2 9.3 5.2 44.8 18 18 A A H 3<5S+ 0 0 88 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.790 97.5 61.3 -74.0 -28.5 10.7 5.9 48.2 19 19 A Q T 3<5S- 0 0 92 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.649 128.1-103.3 -70.1 -13.4 9.9 9.6 47.8 20 20 A G T < 5S+ 0 0 49 -3,-0.6 2,-0.6 -4,-0.3 -3,-0.2 0.415 82.5 125.1 108.3 -0.6 6.4 8.3 47.5 21 21 A F < + 0 0 60 -5,-1.6 -1,-0.3 1,-0.1 -2,-0.2 -0.830 16.1 153.7 -98.6 120.5 5.7 8.5 43.7 22 22 A K - 0 0 75 -2,-0.6 64,-2.3 213,-0.1 65,-0.7 0.202 69.3 -89.4-130.0 15.0 4.6 5.2 42.2 23 23 A G > + 0 0 0 209,-0.3 3,-1.7 63,-0.2 65,-0.3 0.694 62.9 171.8 84.9 19.5 2.6 6.2 39.1 24 24 A A T 3 + 0 0 49 1,-0.3 -1,-0.2 63,-0.2 63,-0.2 -0.316 68.6 11.9 -62.0 146.0 -0.8 6.4 40.9 25 25 A N T 3 S+ 0 0 154 61,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.560 99.0 120.9 62.3 9.5 -3.5 7.9 38.7 26 26 A V < - 0 0 7 -3,-1.7 62,-2.8 60,-0.1 2,-0.5 -0.916 56.9-141.8-105.9 126.0 -1.3 7.5 35.6 27 27 A K E -a 88 0A 76 -2,-0.5 93,-1.9 90,-0.3 92,-1.8 -0.740 16.8-171.4 -90.9 128.1 -2.7 5.4 32.8 28 28 A V E -ab 89 120A 0 60,-2.8 62,-2.3 -2,-0.5 2,-0.6 -0.977 9.3-155.0-123.3 125.8 -0.4 3.1 30.9 29 29 A A E -ab 90 121A 0 91,-3.3 93,-3.0 -2,-0.5 2,-0.9 -0.864 2.6-160.3-100.5 119.2 -1.3 1.2 27.8 30 30 A V E -ab 91 122A 1 60,-2.9 62,-2.0 -2,-0.6 2,-0.9 -0.867 6.6-161.4-100.5 101.4 0.7 -1.9 27.1 31 31 A L E +ab 92 123A 0 91,-2.3 93,-0.5 -2,-0.9 2,-0.2 -0.781 48.1 96.7 -85.2 109.2 0.1 -2.7 23.4 32 32 A D E S-a 93 0A 0 60,-1.6 62,-2.2 -2,-0.9 63,-1.2 -0.732 90.8 -43.4-162.6-152.0 1.2 -6.3 23.1 33 33 A T S S- 0 0 0 1,-0.3 28,-0.4 -2,-0.2 27,-0.4 0.195 95.2 -94.0 -84.3 19.6 0.0 -9.9 23.1 34 34 A G - 0 0 0 58,-0.3 2,-0.3 -4,-0.2 -1,-0.3 -0.362 41.6 -94.2 94.7 179.7 -2.3 -9.2 25.9 35 35 A I - 0 0 0 21,-1.2 2,-2.0 23,-0.4 3,-0.1 -0.993 24.8-115.9-137.3 143.5 -1.7 -9.6 29.7 36 36 A Q > - 0 0 21 -2,-0.3 3,-2.5 1,-0.2 22,-0.2 -0.577 34.3-172.9 -79.6 84.4 -2.6 -12.5 32.0 37 37 A A T 3 S+ 0 0 31 -2,-2.0 7,-0.4 20,-1.3 -1,-0.2 0.759 77.7 63.3 -49.8 -29.5 -5.0 -10.4 34.1 38 38 A S T 3 S+ 0 0 93 19,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.383 71.7 121.0 -81.5 6.1 -5.3 -13.3 36.5 39 39 A H X - 0 0 3 -3,-2.5 3,-1.8 1,-0.1 168,-0.0 -0.540 66.1-136.2 -69.3 128.9 -1.6 -13.1 37.5 40 40 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 0.710 102.5 51.9 -60.5 -19.4 -1.5 -12.4 41.3 41 41 A D T 3 S+ 0 0 0 32,-0.0 33,-3.1 35,-0.0 2,-0.3 0.286 103.9 67.0-101.3 8.7 1.2 -9.9 40.8 42 42 A L < - 0 0 9 -3,-1.8 2,-0.4 31,-0.2 31,-0.1 -0.952 58.1-160.1-131.3 149.8 -0.6 -7.8 38.1 43 43 A N - 0 0 92 -2,-0.3 46,-0.8 29,-0.3 2,-0.6 -0.753 9.3-174.5-132.9 88.3 -3.7 -5.6 38.2 44 44 A V E -c 89 0A 21 -2,-0.4 46,-0.2 -7,-0.4 3,-0.1 -0.734 4.4-179.9 -84.7 118.1 -5.2 -5.0 34.7 45 45 A V E - 0 0 74 44,-2.2 2,-0.3 -2,-0.6 45,-0.2 0.293 58.9 -42.5-101.1 8.7 -8.0 -2.6 35.0 46 46 A G E +c 90 0A 10 43,-0.5 45,-2.9 10,-0.0 2,-0.3 -0.956 59.5 140.0 158.1-176.2 -9.0 -2.5 31.4 47 47 A G E -c 91 0A 20 -2,-0.3 2,-0.3 43,-0.3 45,-0.3 -0.972 36.8-108.1 142.8-155.9 -8.1 -2.4 27.7 48 48 A A E -c 92 0A 20 43,-1.8 45,-1.8 -2,-0.3 2,-0.4 -0.974 14.9-119.4-169.6 158.4 -9.3 -4.0 24.5 49 49 A S E +c 93 0A 37 -2,-0.3 45,-0.2 43,-0.2 7,-0.1 -0.872 16.2 179.6-110.6 142.2 -8.4 -6.6 21.9 50 50 A F + 0 0 75 43,-2.7 2,-0.5 -2,-0.4 44,-0.1 0.000 61.7 98.0-124.4 23.2 -7.9 -5.9 18.2 51 51 A V S > S- 0 0 24 3,-0.4 3,-2.1 42,-0.1 44,-0.1 -0.954 81.4-119.2-116.8 111.5 -7.1 -9.6 17.5 52 52 A A T 3 S+ 0 0 106 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.242 95.8 12.3 -49.9 123.1 -10.0 -11.7 16.2 53 53 A G T 3 S+ 0 0 87 1,-0.2 2,-0.4 -4,-0.1 -1,-0.2 0.197 105.3 94.6 96.5 -17.5 -10.7 -14.5 18.7 54 54 A E < - 0 0 42 -3,-2.1 -3,-0.4 39,-0.1 -1,-0.2 -0.930 65.3-134.8-116.2 133.9 -8.6 -13.4 21.7 55 55 A A > - 0 0 51 -2,-0.4 3,-0.8 1,-0.1 -5,-0.1 -0.377 22.9-121.5 -75.0 160.9 -9.9 -11.4 24.7 56 57 A Y T 3 S+ 0 0 73 1,-0.2 -21,-1.2 -7,-0.1 -8,-0.1 0.859 104.9 60.8 -73.3 -35.5 -7.6 -8.5 25.9 57 58 A N T 3 S+ 0 0 63 -23,-0.2 -20,-1.3 -10,-0.1 -19,-0.4 0.076 94.9 71.8 -84.1 23.4 -7.2 -9.8 29.4 58 59 A T < - 0 0 64 -3,-0.8 -23,-0.4 -22,-0.2 2,-0.3 -0.890 60.0-159.0-129.8 162.2 -5.5 -13.1 28.5 59 60 A D + 0 0 12 -2,-0.3 -25,-0.1 -25,-0.2 -23,-0.1 -0.819 14.4 173.8-147.2 101.5 -2.0 -13.7 27.1 60 61 A G S S+ 0 0 61 -27,-0.4 -1,-0.1 -2,-0.3 -26,-0.1 0.684 84.8 47.5 -80.4 -18.4 -1.3 -17.0 25.2 61 62 A N S S- 0 0 40 -28,-0.4 -1,-0.1 1,-0.0 -27,-0.1 0.917 89.3-143.0 -89.1 -49.6 2.1 -15.8 24.3 62 63 A G S > S+ 0 0 0 -29,-0.2 4,-1.8 -28,-0.1 3,-0.2 0.038 75.5 95.9 109.7 -28.4 3.6 -14.5 27.5 63 64 A H H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 83.4 52.4 -62.4 -44.5 5.6 -11.5 26.1 64 65 A G H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.814 109.6 49.9 -63.2 -30.0 2.9 -9.0 26.9 65 66 A T H > S+ 0 0 0 2,-0.2 4,-2.6 -3,-0.2 142,-0.2 0.872 110.7 48.1 -75.2 -39.2 2.7 -10.2 30.5 66 67 A H H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 141,-0.3 0.934 112.5 50.1 -65.5 -46.2 6.5 -9.9 31.0 67 68 A V H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.889 112.1 47.2 -59.0 -43.2 6.5 -6.5 29.5 68 69 A A H >X S+ 0 0 0 -4,-1.6 4,-3.5 -5,-0.2 3,-1.0 0.923 107.5 56.9 -65.8 -44.2 3.6 -5.4 31.7 69 70 A G H 3X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.3 -2,-0.2 0.890 102.5 54.5 -54.0 -44.4 5.3 -6.8 34.8 70 71 A T H 3< S+ 0 0 5 -4,-2.1 13,-1.3 2,-0.2 -1,-0.3 0.803 117.4 39.3 -60.8 -27.5 8.3 -4.7 34.2 71 72 A V H << S+ 0 0 0 -3,-1.0 13,-2.8 -4,-0.8 12,-0.4 0.947 137.3 3.2 -88.7 -54.9 6.0 -1.8 34.2 72 73 A A H < + 0 0 4 -4,-3.5 -29,-0.3 10,-0.2 -3,-0.2 0.007 68.3 158.6-127.5 33.3 3.5 -2.4 36.9 73 74 A A < - 0 0 0 -4,-2.3 9,-3.1 -5,-0.3 -31,-0.2 -0.406 54.9-105.3 -55.4 123.6 4.3 -5.6 38.7 74 75 A L - 0 0 49 -33,-3.1 2,-1.1 7,-0.2 4,-0.1 -0.100 21.8-120.6 -55.3 149.3 2.4 -5.0 42.0 75 76 A D + 0 0 80 10,-0.3 2,-0.1 6,-0.1 -1,-0.1 -0.740 68.7 108.6 -96.1 89.1 4.3 -4.0 45.2 76 77 A N S S- 0 0 55 -2,-1.1 -74,-0.1 2,-0.4 -35,-0.0 -0.348 86.1 -74.7-131.9-145.7 3.4 -6.8 47.6 77 78 A T S S+ 0 0 104 -2,-0.1 2,-0.3 -76,-0.1 -2,-0.1 0.092 101.7 76.7-110.5 20.9 5.2 -9.7 49.2 78 79 A T S S- 0 0 50 2,-0.2 -2,-0.4 -4,-0.1 -75,-0.2 -0.806 90.7 -21.3-128.8 169.1 5.2 -11.9 46.0 79 80 A G S S- 0 0 12 -2,-0.3 -76,-3.7 -77,-0.2 2,-0.1 0.038 98.0 -33.3 39.2-129.4 6.9 -12.2 42.7 80 81 A V - 0 0 1 -78,-0.2 -4,-0.4 -76,-0.1 2,-0.4 -0.294 55.4-112.1-109.5-166.5 8.6 -9.1 41.4 81 82 A L - 0 0 12 -78,-0.1 -7,-0.2 -2,-0.1 -73,-0.2 -0.995 22.4-134.5-138.5 130.7 8.2 -5.3 41.5 82 83 A G - 0 0 0 -9,-3.1 -11,-0.2 -2,-0.4 -10,-0.2 -0.166 22.6-117.2 -77.7 173.6 7.3 -2.9 38.7 83 84 A V S S+ 0 0 0 -13,-1.3 -11,-0.2 -12,-0.4 -12,-0.1 0.867 116.6 23.4 -75.5 -36.6 8.9 0.5 37.8 84 85 A A S > S+ 0 0 0 -13,-2.8 3,-1.9 -14,-0.1 -1,-0.3 -0.666 76.0 179.6-131.7 75.5 5.5 2.2 38.6 85 86 A P T 3 S+ 0 0 7 0, 0.0 -10,-0.3 0, 0.0 -62,-0.1 0.629 79.6 46.2 -49.3 -26.8 3.6 -0.2 40.9 86 87 A S T 3 S+ 0 0 61 -64,-2.3 -61,-0.5 -12,-0.1 -63,-0.2 0.494 82.9 124.6-101.6 -2.8 0.5 1.9 41.3 87 88 A V S < S- 0 0 12 -3,-1.9 2,-0.9 -65,-0.7 -60,-0.2 -0.066 71.2-109.9 -53.5 155.0 0.1 2.8 37.6 88 89 A S E -a 27 0A 33 -62,-2.8 -60,-2.8 -65,-0.3 2,-0.4 -0.839 39.2-145.6 -92.4 108.9 -3.3 1.9 36.0 89 90 A L E -ac 28 44A 2 -2,-0.9 -44,-2.2 -46,-0.8 -43,-0.5 -0.649 16.0-169.6 -85.8 129.6 -2.5 -1.0 33.7 90 91 A Y E -ac 29 46A 32 -62,-2.3 -60,-2.9 -2,-0.4 2,-0.7 -0.971 12.5-149.4-122.9 126.8 -4.3 -1.4 30.4 91 92 A A E +ac 30 47A 0 -45,-2.9 -43,-1.8 -2,-0.4 2,-0.7 -0.830 17.7 175.4 -95.9 110.4 -4.1 -4.4 28.2 92 93 A V E -ac 31 48A 0 -62,-2.0 -60,-1.6 -2,-0.7 2,-0.7 -0.901 20.1-151.9-116.0 98.1 -4.5 -3.5 24.5 93 94 A K E +ac 32 49A 0 -45,-1.8 -43,-2.7 -2,-0.7 -60,-0.2 -0.612 36.1 148.6 -76.7 111.1 -3.9 -6.7 22.6 94 95 A V + 0 0 2 -62,-2.2 2,-0.4 -2,-0.7 8,-0.3 0.200 61.1 59.3-125.1 11.5 -2.5 -6.0 19.1 95 96 A L S S- 0 0 0 -63,-1.2 6,-0.3 6,-0.1 -1,-0.1 -0.992 82.5-123.4-140.5 134.5 -0.5 -9.2 18.5 96 97 A N > - 0 0 52 4,-2.9 3,-3.7 -2,-0.4 4,-0.3 -0.153 45.4 -80.6 -72.2 173.1 -1.9 -12.7 18.6 97 98 A S T 3 S+ 0 0 53 1,-0.3 -1,-0.1 2,-0.2 -64,-0.1 0.581 131.7 60.3 -52.6 -8.0 -0.7 -15.5 20.9 98 99 A S T 3 S- 0 0 83 2,-0.2 -1,-0.3 -37,-0.0 483,-0.2 0.348 118.0-111.4-100.9 4.4 2.2 -16.0 18.5 99 100 A G S < S+ 0 0 0 -3,-3.7 512,-1.3 1,-0.3 2,-0.3 0.751 77.7 125.5 73.4 24.1 3.5 -12.5 19.0 100 101 A S E +J 610 0B 21 -4,-0.3 -4,-2.9 510,-0.2 2,-0.3 -0.874 27.7 157.8-116.9 149.3 2.5 -11.4 15.5 101 102 A G E -J 609 0B 15 508,-2.1 508,-1.3 -2,-0.3 2,-0.4 -0.961 35.4-111.0-157.1 171.6 0.3 -8.6 14.3 102 103 A S >> - 0 0 64 -8,-0.3 4,-2.2 -2,-0.3 3,-0.8 -0.896 28.2-121.5-112.6 144.2 -0.5 -6.3 11.4 103 104 A Y H 3> S+ 0 0 19 504,-0.4 4,-2.9 -2,-0.4 5,-0.2 0.891 117.7 60.0 -46.2 -40.1 0.3 -2.6 11.3 104 105 A S H 3> S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.923 104.4 47.4 -53.5 -48.8 -3.4 -2.2 10.8 105 106 A G H <> S+ 0 0 11 -3,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.917 111.3 51.1 -61.0 -43.9 -4.1 -3.9 14.2 106 107 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.4 0.936 104.3 56.2 -60.8 -47.0 -1.5 -1.8 15.9 107 108 A V H X S+ 0 0 15 -4,-2.9 4,-2.5 1,-0.3 -1,-0.2 0.873 105.1 53.9 -53.4 -38.5 -2.9 1.5 14.6 108 109 A S H X S+ 0 0 41 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.3 0.888 109.5 47.2 -63.9 -39.8 -6.3 0.5 16.2 109 110 A G H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.4 -2,-0.2 0.914 110.4 52.2 -67.8 -41.8 -4.6 -0.0 19.5 110 111 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.921 113.0 44.4 -60.1 -44.7 -2.8 3.3 19.3 111 112 A E H X S+ 0 0 102 -4,-2.5 4,-3.2 -5,-0.2 5,-0.3 0.908 110.4 54.6 -67.0 -41.8 -6.0 5.1 18.6 112 113 A W H X S+ 0 0 52 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 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