==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 11-JAN-08 3BX1 . COMPND 2 MOLECULE: SUBTILISIN SAVINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LENTUS; . AUTHOR P.O.MICHEELSEN,J.VEVODOVA,K.WILSON,M.SKJOT . 900 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 18.4 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 . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 79 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 2 4 1 0 0 0 2 2 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 7 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 . 28 9 6 1 9 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 . 0 3 1 0 0 0 1 3 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 0 122 0, 0.0 2,-0.3 0, 0.0 77,-0.2 0.000 360.0 360.0 360.0 170.1 47.1 -28.5 -11.1 2 2 A Q - 0 0 49 75,-0.2 2,-0.3 73,-0.2 77,-0.2 -0.572 360.0-162.4 -80.4 130.6 46.3 -30.7 -14.2 3 3 A S - 0 0 55 75,-2.6 77,-0.1 -2,-0.3 74,-0.0 -0.819 16.2-136.5-102.2 149.3 42.6 -31.2 -15.2 4 4 A V - 0 0 67 -2,-0.3 5,-0.1 75,-0.2 75,-0.1 -0.918 28.2-129.5-103.3 107.1 41.4 -33.9 -17.5 5 5 A P >> - 0 0 15 0, 0.0 4,-1.4 0, 0.0 3,-0.9 -0.253 21.2-115.5 -54.6 146.2 38.8 -32.2 -19.8 6 6 A W H 3> S+ 0 0 54 1,-0.3 4,-2.2 192,-0.2 5,-0.1 0.791 114.5 56.1 -58.0 -29.9 35.6 -34.2 -19.8 7 7 A G H 3> S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.844 102.0 57.5 -73.0 -30.9 35.9 -35.1 -23.6 8 8 A I H <4>S+ 0 0 1 -3,-0.9 5,-2.0 1,-0.2 -2,-0.2 0.933 112.0 40.5 -60.8 -45.4 39.3 -36.6 -22.8 9 9 A S H ><5S+ 0 0 64 -4,-1.4 3,-0.9 3,-0.2 -2,-0.2 0.809 111.3 58.9 -67.6 -35.1 37.7 -39.0 -20.3 10 10 A R H 3<5S+ 0 0 78 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.928 106.8 45.4 -63.7 -41.6 34.7 -39.5 -22.7 11 11 A V T 3<5S- 0 0 0 -4,-2.3 253,-2.9 252,-0.1 254,-0.5 0.447 113.6-124.0 -78.5 1.8 36.9 -40.9 -25.5 12 12 A Q T <>5 + 0 0 75 -3,-0.9 4,-1.0 252,-0.2 3,-0.3 0.784 57.3 151.6 62.2 33.7 38.7 -43.0 -22.9 13 13 A A H >>< + 0 0 0 -5,-2.0 4,-2.4 1,-0.2 3,-0.5 0.875 64.5 61.2 -62.0 -40.3 42.2 -41.7 -23.6 14 14 A P H 3> S+ 0 0 43 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.870 101.2 54.5 -59.9 -34.8 43.5 -42.4 -19.9 15 15 A A H 34 S+ 0 0 34 -3,-0.3 4,-0.4 2,-0.2 -2,-0.2 0.856 109.7 47.6 -62.5 -34.2 42.7 -46.1 -20.3 16 16 A A H X<>S+ 0 0 0 -4,-1.0 5,-2.0 -3,-0.5 3,-1.4 0.914 109.5 52.8 -71.1 -39.9 44.9 -46.0 -23.4 17 17 A H H ><5S+ 0 0 29 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.908 102.7 59.6 -60.3 -39.4 47.6 -44.1 -21.5 18 18 A N T 3<5S+ 0 0 142 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.643 101.4 54.0 -62.9 -17.2 47.5 -46.8 -18.9 19 19 A R T < 5S- 0 0 104 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.216 129.1 -97.1-105.6 18.6 48.5 -49.4 -21.5 20 20 A G T < 5S+ 0 0 50 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.709 83.3 132.3 82.5 22.8 51.5 -47.3 -22.4 21 21 A L < + 0 0 15 -5,-2.0 -1,-0.2 1,-0.1 -2,-0.2 -0.929 3.8 136.7-112.3 113.8 49.9 -45.5 -25.5 22 22 A T S S- 0 0 32 -2,-0.6 63,-2.6 61,-0.1 64,-0.5 0.255 77.6 -97.5-133.8 -0.7 50.4 -41.7 -25.5 23 23 A G > + 0 0 0 1,-0.2 3,-1.9 62,-0.2 64,-0.4 0.572 59.5 170.2 90.8 13.0 51.3 -41.3 -29.2 24 24 A S T 3 + 0 0 53 1,-0.3 -1,-0.2 62,-0.2 62,-0.2 -0.263 69.7 19.4 -54.7 143.3 55.1 -41.2 -28.9 25 25 A G T 3 S+ 0 0 49 60,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.336 97.1 122.7 76.2 -7.1 56.9 -41.4 -32.3 26 26 A V < - 0 0 4 -3,-1.9 61,-2.9 59,-0.2 2,-0.6 -0.793 54.8-144.2 -95.0 124.4 53.6 -40.3 -34.1 27 27 A K E -a 87 0A 65 -2,-0.5 91,-2.6 89,-0.3 92,-1.8 -0.781 20.1-178.1 -89.8 116.0 53.8 -37.1 -36.2 28 28 A V E -ab 88 119A 0 59,-3.2 61,-2.4 -2,-0.6 2,-0.4 -0.963 10.3-158.1-119.3 118.0 50.6 -35.0 -36.1 29 29 A A E -ab 89 120A 0 90,-3.0 92,-2.8 -2,-0.5 2,-0.7 -0.784 5.9-151.6 -94.8 136.4 50.3 -31.8 -38.2 30 30 A V E -ab 90 121A 1 59,-3.1 61,-2.5 -2,-0.4 2,-0.9 -0.928 7.8-161.5-108.0 106.4 47.8 -29.2 -37.1 31 31 A L E +ab 91 122A 0 90,-2.6 92,-0.5 -2,-0.7 61,-0.2 -0.814 51.6 88.9 -89.3 106.3 46.6 -27.4 -40.2 32 32 A D E S-a 92 0A 0 59,-2.0 61,-2.3 -2,-0.9 62,-2.1 -0.652 93.6 -37.1-166.1-149.2 45.2 -24.3 -38.8 33 33 A T S S- 0 0 1 1,-0.3 26,-0.7 59,-0.2 27,-0.3 0.348 96.5 -91.4 -85.2 6.7 45.8 -20.7 -37.6 34 34 A G - 0 0 1 57,-0.3 -1,-0.3 24,-0.2 2,-0.3 -0.627 39.8 -95.9 110.0-176.7 49.3 -21.7 -36.2 35 35 A I - 0 0 1 21,-2.8 2,-0.3 -2,-0.2 55,-0.1 -0.950 29.5-140.8-140.3 121.6 50.2 -22.9 -32.7 36 36 A S - 0 0 14 -2,-0.3 21,-0.1 21,-0.2 -2,-0.0 -0.592 32.2-100.2 -79.7 141.5 51.6 -20.5 -30.0 37 38 A T + 0 0 95 -2,-0.3 168,-0.4 5,-0.0 169,-0.3 -0.422 55.0 173.6 -54.8 136.4 54.4 -21.7 -27.7 38 39 A H > - 0 0 13 3,-0.4 3,-1.9 167,-0.1 5,-0.1 -0.969 43.9-117.5-152.3 142.1 52.6 -22.6 -24.5 39 40 A P T 3 S+ 0 0 68 0, 0.0 38,-0.1 0, 0.0 -2,-0.0 0.764 115.7 50.2 -52.2 -33.0 53.7 -24.3 -21.2 40 41 A D T 3 S+ 0 0 0 32,-0.1 33,-2.3 35,-0.0 2,-0.3 0.267 104.7 67.1-101.1 17.8 51.4 -27.2 -21.8 41 42 A L < - 0 0 13 -3,-1.9 2,-0.5 31,-0.2 -3,-0.4 -0.956 59.1-153.7-128.1 153.5 52.5 -27.9 -25.4 42 43 A N - 0 0 72 29,-0.3 46,-0.8 -2,-0.3 2,-0.6 -0.913 16.0-164.7-121.2 107.5 55.6 -29.2 -27.2 43 44 A I E -c 88 0A 46 -2,-0.5 46,-0.2 1,-0.1 3,-0.1 -0.779 8.5-172.4 -97.0 118.6 55.8 -28.0 -30.8 44 45 A R E - 0 0 111 44,-2.9 2,-0.3 -2,-0.6 45,-0.2 0.739 54.8 -74.2 -82.3 -27.2 58.4 -29.9 -32.9 45 46 A G E +c 89 0A 28 43,-1.0 45,-2.7 11,-0.1 2,-0.3 -0.986 53.3 163.6 165.5-158.1 58.2 -27.7 -36.0 46 47 A G E -c 90 0A 31 -2,-0.3 2,-0.3 43,-0.3 45,-0.2 -0.951 27.3-105.7 143.8-160.9 56.1 -26.8 -39.0 47 48 A A E -c 91 0A 20 43,-1.5 45,-2.1 -2,-0.3 2,-0.4 -0.976 15.9-122.7-158.1 160.1 55.7 -24.2 -41.7 48 49 A S E +c 92 0A 28 6,-0.3 45,-0.2 -2,-0.3 8,-0.1 -0.959 18.6 175.5-113.3 141.1 53.5 -21.3 -42.8 49 50 A F + 0 0 43 43,-3.0 44,-0.1 -2,-0.4 58,-0.1 0.028 49.7 110.7-123.3 23.8 51.7 -21.0 -46.1 50 51 A V S > S- 0 0 16 3,-0.5 3,-2.2 42,-0.2 44,-0.1 -0.886 72.3-121.8-104.9 115.6 49.8 -17.8 -45.3 51 52 A P T 3 S+ 0 0 108 0, 0.0 -2,-0.1 0, 0.0 53,-0.0 -0.290 97.2 11.9 -57.1 130.9 51.0 -14.7 -47.3 52 53 A G T 3 S+ 0 0 72 43,-0.0 43,-0.0 1,-0.0 -2,-0.0 0.303 113.5 83.1 85.5 -9.3 52.2 -11.9 -45.0 53 54 A E < + 0 0 62 -3,-2.2 -3,-0.5 1,-0.1 39,-0.1 -0.609 50.3 163.5-128.0 70.9 52.1 -14.3 -41.9 54 55 A P + 0 0 115 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 0.653 48.0 77.2 -72.5 -21.4 55.5 -16.1 -42.1 55 56 A S S S- 0 0 59 1,-0.1 -8,-0.1 2,-0.1 37,-0.0 -0.379 76.3-129.8 -89.1 167.2 55.8 -17.5 -38.5 56 57 A T + 0 0 36 -2,-0.1 -21,-2.8 -8,-0.1 2,-0.1 0.349 68.9 120.0 -97.7 8.4 53.9 -20.5 -37.2 57 59 A Q - 0 0 71 -23,-0.2 2,-0.6 1,-0.1 -21,-0.2 -0.424 68.6-113.4 -73.0 148.9 52.7 -18.7 -34.1 58 60 A D + 0 0 4 1,-0.1 -24,-0.2 -2,-0.1 -1,-0.1 -0.743 33.3 173.4 -95.6 112.5 48.9 -18.4 -33.5 59 61 A G S S+ 0 0 29 -26,-0.7 638,-0.1 -2,-0.6 -1,-0.1 0.435 83.7 44.3 -95.3 1.3 47.4 -14.9 -33.8 60 62 A N S S- 0 0 4 -27,-0.3 -1,-0.1 35,-0.0 36,-0.1 0.808 94.0-132.0-106.8 -52.7 43.8 -16.3 -33.5 61 63 A G S > S+ 0 0 0 -27,-0.1 4,-2.2 -28,-0.1 5,-0.2 -0.112 80.6 98.7 122.4 -30.3 43.9 -18.9 -30.7 62 64 A H H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 82.0 45.5 -56.0 -52.2 42.0 -21.6 -32.6 63 65 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.841 111.7 54.1 -63.5 -37.9 45.0 -23.7 -33.7 64 66 A T H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 138,-0.3 0.924 110.3 46.8 -61.5 -44.8 46.5 -23.5 -30.2 65 67 A H H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 137,-0.4 0.918 112.4 49.6 -60.6 -45.7 43.2 -24.9 -28.7 66 68 A V H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 3,-0.3 0.944 108.6 53.4 -60.0 -46.6 43.0 -27.6 -31.3 67 69 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.848 105.7 53.8 -57.0 -38.4 46.6 -28.6 -30.6 68 70 A G H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.831 103.7 55.0 -65.9 -35.9 46.0 -29.0 -26.8 69 71 A T H < S+ 0 0 3 -4,-1.7 13,-2.1 -3,-0.3 14,-0.2 0.919 115.8 40.0 -67.0 -38.6 43.1 -31.4 -27.3 70 72 A I H < S- 0 0 0 -4,-1.6 13,-3.4 11,-0.2 -2,-0.2 0.945 139.7 -1.0 -66.0 -53.4 45.5 -33.6 -29.4 71 73 A A H < + 0 0 3 -4,-2.7 -29,-0.3 10,-0.2 -3,-0.2 -0.016 67.4 159.2-141.5 24.8 48.7 -33.3 -27.3 72 74 A A < - 0 0 0 -4,-2.1 9,-2.6 -31,-0.1 -31,-0.2 -0.463 55.7-100.6 -55.3 130.5 48.5 -31.1 -24.2 73 75 A L - 0 0 49 -33,-2.3 2,-0.9 7,-0.2 4,-0.2 -0.200 21.6-121.9 -60.7 141.8 51.4 -32.4 -22.1 74 76 A N S S+ 0 0 107 10,-0.2 2,-0.2 6,-0.1 -1,-0.1 -0.808 70.2 105.0 -85.3 107.5 50.9 -34.8 -19.2 75 77 A N S S- 0 0 55 -2,-0.9 -73,-0.2 2,-0.3 -35,-0.0 -0.651 87.3 -68.9-157.5-151.7 52.4 -32.9 -16.3 76 78 A S S S+ 0 0 98 -2,-0.2 2,-0.3 -75,-0.1 -2,-0.1 0.216 101.6 70.1-110.1 19.1 51.1 -31.0 -13.3 77 79 A I S S- 0 0 66 2,-0.2 -2,-0.3 -76,-0.2 -75,-0.2 -0.916 91.6 -18.5-130.3 164.6 49.6 -28.0 -15.2 78 80 A G S S- 0 0 9 -2,-0.3 -75,-2.6 -77,-0.2 2,-0.1 -0.197 96.9 -35.8 56.0-120.2 46.7 -27.1 -17.5 79 81 A V - 0 0 1 -77,-0.2 2,-0.3 -75,-0.1 -4,-0.3 -0.419 51.6-114.0-124.8-157.8 45.0 -29.9 -19.3 80 82 A L - 0 0 11 -2,-0.1 -7,-0.2 -77,-0.1 2,-0.1 -0.992 21.2-137.2-148.6 132.7 45.8 -33.3 -21.0 81 83 A G - 0 0 0 -9,-2.6 -11,-0.2 -2,-0.3 -10,-0.2 -0.364 25.9-116.1 -86.5 165.6 45.6 -34.4 -24.6 82 84 A V S S+ 0 0 0 -13,-2.1 -11,-0.2 1,-0.3 -12,-0.2 0.880 119.5 26.4 -60.2 -37.8 44.3 -37.6 -26.1 83 85 A A S > S+ 0 0 0 -13,-3.4 3,-2.2 -14,-0.2 -1,-0.3 -0.619 73.1 173.6-129.1 73.5 47.9 -38.1 -27.3 84 86 A P T 3 S+ 0 0 5 0, 0.0 -61,-0.2 0, 0.0 -10,-0.2 0.670 79.9 46.6 -64.4 -17.7 50.2 -36.2 -24.9 85 87 A S T 3 S+ 0 0 50 -63,-2.6 -60,-0.5 -12,-0.1 -62,-0.2 0.313 82.0 126.3-104.5 10.3 53.5 -37.6 -26.4 86 88 A A < - 0 0 3 -3,-2.2 2,-0.8 -64,-0.5 -59,-0.2 -0.316 69.1-113.8 -63.6 146.9 52.5 -37.0 -30.0 87 89 A E E -a 27 0A 43 -61,-2.9 -59,-3.2 -64,-0.4 2,-0.4 -0.802 36.8-148.8 -89.6 112.0 54.9 -35.0 -32.1 88 90 A L E -ac 28 43A 0 -2,-0.8 -44,-2.9 -46,-0.8 -43,-1.0 -0.708 14.8-170.6 -90.4 127.8 53.1 -31.7 -32.9 89 91 A Y E -ac 29 45A 35 -61,-2.4 -59,-3.1 -2,-0.4 2,-0.8 -0.969 16.3-142.2-118.2 129.6 53.7 -29.7 -36.1 90 92 A A E +ac 30 46A 0 -45,-2.7 -43,-1.5 -2,-0.4 2,-0.7 -0.807 21.0 178.7 -89.7 108.0 52.2 -26.2 -36.6 91 93 A V E -ac 31 47A 0 -61,-2.5 -59,-2.0 -2,-0.8 2,-0.7 -0.905 15.6-154.8-113.2 99.3 51.1 -25.8 -40.2 92 94 A K E +ac 32 48A 11 -45,-2.1 -43,-3.0 -2,-0.7 -59,-0.2 -0.672 37.0 145.5 -80.1 111.7 49.6 -22.4 -40.6 93 95 A V + 0 0 0 -61,-2.3 2,-0.4 -2,-0.7 8,-0.3 0.376 62.0 62.0-122.6 -8.9 47.2 -22.5 -43.6 94 96 A L S S- 0 0 0 -62,-2.1 6,-0.2 6,-0.1 -44,-0.1 -0.949 81.0-127.8-116.4 142.4 44.7 -20.0 -42.1 95 97 A G > - 0 0 2 4,-2.3 3,-2.4 -2,-0.4 -2,-0.1 -0.248 37.9 -92.0 -74.3 170.9 45.5 -16.4 -41.2 96 98 A A T 3 S+ 0 0 38 1,-0.3 -1,-0.1 2,-0.1 -63,-0.1 0.808 127.1 67.9 -47.0 -35.8 44.8 -14.7 -37.9 97 99 A S T 3 S- 0 0 32 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.662 117.3-116.3 -58.2 -19.3 41.5 -13.7 -39.4 98 100 A G S < S+ 0 0 0 -3,-2.4 713,-2.0 1,-0.3 2,-0.3 0.529 77.9 107.8 92.1 7.8 40.6 -17.5 -39.3 99 101 A S E -J 810 0B 6 711,-0.2 -4,-2.3 658,-0.2 2,-0.3 -0.899 41.4-176.9-126.2 150.7 40.3 -18.0 -43.1 100 102 A G E -J 809 0B 3 709,-2.8 709,-2.7 -2,-0.3 2,-0.2 -0.970 20.6-119.7-140.2 156.6 42.5 -19.7 -45.7 101 103 A S > - 0 0 27 -2,-0.3 4,-2.4 -8,-0.3 5,-0.3 -0.482 33.0-106.8 -89.7 164.9 42.6 -20.2 -49.5 102 104 A V H > S+ 0 0 4 705,-0.3 4,-2.3 1,-0.2 5,-0.2 0.900 123.0 51.2 -47.5 -43.9 42.5 -23.5 -51.5 103 105 A S H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.874 107.5 47.7 -71.5 -42.9 46.2 -22.8 -52.1 104 106 A S H > S+ 0 0 7 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.957 117.7 43.8 -57.0 -49.6 47.3 -22.2 -48.5 105 107 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 -12,-0.2 -2,-0.2 0.887 113.3 50.8 -66.6 -37.6 45.5 -25.4 -47.4 106 108 A A H X S+ 0 0 17 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.915 110.3 49.0 -71.6 -39.2 46.7 -27.4 -50.4 107 109 A Q H X S+ 0 0 73 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.845 108.9 54.9 -67.2 -30.7 50.3 -26.3 -49.8 108 110 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.917 109.3 46.3 -66.3 -39.1 49.8 -27.3 -46.1 109 111 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.880 111.5 51.4 -70.3 -35.7 48.7 -30.8 -47.1 110 112 A E H X S+ 0 0 123 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.917 108.4 52.5 -65.9 -42.0 51.6 -31.1 -49.6 111 113 A W H X S+ 0 0 36 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.904 107.0 52.8 -53.8 -44.6 54.0 -30.1 -46.7 112 114 A A H ><>S+ 0 0 0 -4,-1.9 5,-2.0 1,-0.2 3,-0.5 0.908 110.9 46.9 -65.2 -41.3 52.4 -32.9 -44.5 113 115 A G H ><5S+ 0 0 8 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.899 112.6 49.1 -61.3 -45.5 53.1 -35.5 -47.3 114 116 A N H 3<5S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.532 113.8 46.2 -71.5 -14.2 56.7 -34.2 -47.8 115 117 A N T <<5S- 0 0 68 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.245 111.8-113.2-115.7 9.8 57.5 -34.3 -44.1 116 118 A G T < 5 + 0 0 35 -3,-0.9 -89,-0.3 -4,-0.2 -3,-0.2 0.724 46.4 177.5 61.9 31.4 56.1 -37.8 -43.3 117 119 A M < - 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