==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 07-SEP-76 2SBT . COMPND 2 MOLECULE: SUBTILISIN NOVO; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR J.DRENTH,W.G.J.HOL,J.N.JANSONIUS,R.KOEKOEK . 275 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 58.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.2 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.7 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 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 2 0 1 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 0 0 0 1 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 0 0 0 1 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 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 0 106 0, 0.0 80,-0.1 0, 0.0 78,-0.1 0.000 360.0 360.0 360.0-140.9 4.3 59.8 33.8 2 2 A Q + 0 0 140 1,-0.3 79,-0.2 76,-0.1 78,-0.1 -0.146 360.0 158.2 130.3 -30.2 6.7 60.5 30.9 3 3 A S - 0 0 80 77,-0.1 79,-5.2 78,-0.1 -1,-0.3 0.099 28.3-150.0 -24.8 137.0 9.8 58.8 32.5 4 4 A V - 0 0 64 78,-0.2 2,-0.5 77,-0.2 -1,-0.1 -0.899 17.8-119.2-114.8 125.9 12.6 57.6 30.6 5 5 A P >> - 0 0 18 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.524 20.5-136.1 -55.2 121.4 15.0 54.5 31.4 6 6 A Y H 3> S+ 0 0 84 -2,-0.5 4,-1.1 1,-0.3 200,-0.1 0.766 80.9 112.5 -60.1 -11.5 18.7 56.0 31.8 7 7 A G H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.757 91.9 11.8 -28.9 -68.2 19.3 52.9 29.7 8 8 A V H X> S+ 0 0 0 -3,-1.0 3,-3.5 75,-0.3 2,-1.5 0.893 101.8 90.9 -76.4 -66.4 20.2 54.9 26.8 9 9 A S H 3< S+ 0 0 63 -4,-0.5 3,-0.2 1,-0.3 -2,-0.2 0.682 89.4 61.8 7.9 -34.8 20.6 58.2 28.4 10 10 A Q T 3< S+ 0 0 33 -2,-1.5 -1,-0.3 -4,-1.1 -2,-0.1 0.633 100.1 49.0 -86.5 -18.0 24.3 56.7 28.7 11 11 A I T <4 S- 0 0 0 -3,-3.5 260,-4.7 259,-0.1 -1,-0.2 0.331 118.5-103.9-104.5 -9.4 24.9 56.4 25.1 12 12 A K S < S+ 0 0 94 -4,-0.5 4,-0.4 258,-0.3 -3,-0.1 0.965 78.8 131.9 90.5 61.1 23.8 59.9 24.0 13 13 A A > + 0 0 0 2,-0.1 4,-1.5 3,-0.1 71,-0.1 0.736 59.6 61.7 -96.8 -55.7 20.4 58.8 22.5 14 14 A P T 4 S+ 0 0 45 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.707 98.0 68.6 -43.4 -16.6 18.0 61.3 24.1 15 15 A A T >> S+ 0 0 27 2,-0.2 3,-3.5 256,-0.1 4,-0.6 0.986 99.0 38.7 -62.8 -81.3 20.1 63.8 22.3 16 16 A L H 3>>S+ 0 0 9 -4,-0.4 4,-1.3 1,-0.3 5,-0.8 0.893 101.6 78.5 -45.6 -32.7 19.2 63.0 18.5 17 17 A H H 3<5S+ 0 0 38 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.774 97.1 48.2 -53.8 -26.0 15.5 62.5 19.9 18 18 A S H <45S+ 0 0 94 -3,-3.5 -1,-0.2 -4,-0.5 -2,-0.2 0.997 101.4 56.6 -76.9 -78.3 15.5 66.4 19.9 19 19 A Q H <5S- 0 0 114 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.659 127.7 -94.4 -30.8 -32.8 16.9 67.3 16.4 20 20 A G T <5S+ 0 0 44 -4,-1.3 2,-0.4 1,-0.3 -1,-0.2 0.084 85.5 136.2 138.7 -19.7 14.0 65.2 15.1 21 21 A Y < + 0 0 73 -5,-0.8 -1,-0.3 1,-0.2 213,-0.1 -0.418 12.1 154.7 -62.8 103.4 16.0 61.8 14.7 22 22 A T S S- 0 0 32 -2,-0.4 66,-0.9 64,-0.1 -1,-0.2 -0.299 74.5 -91.8-129.3 45.1 13.6 59.1 16.2 23 23 A G S S+ 0 0 0 1,-0.2 2,-0.3 211,-0.1 3,-0.3 0.847 72.4 169.8 50.7 33.8 14.9 56.2 14.3 24 24 A S + 0 0 58 1,-0.2 -1,-0.2 65,-0.1 65,-0.2 -0.711 55.5 30.5 -81.9 126.5 12.3 56.9 11.5 25 25 A N S S+ 0 0 125 -2,-0.3 2,-0.3 63,-0.3 -1,-0.2 -0.291 98.9 102.1 126.9 -41.0 12.5 55.1 8.2 26 26 A V - 0 0 4 -3,-0.3 64,-1.8 207,-0.1 2,-0.4 -0.547 56.4-151.4 -83.3 141.6 14.0 51.8 9.7 27 27 A K E -a 90 0A 51 92,-0.3 95,-3.0 -2,-0.3 94,-0.6 -0.814 18.8-148.8-101.2 136.2 12.5 48.5 10.6 28 28 A V E -ab 91 122A 3 62,-1.6 64,-1.3 -2,-0.4 2,-0.9 -0.991 5.5-139.0-118.8 127.3 14.2 46.6 13.5 29 29 A A E +ab 92 123A 0 93,-3.6 95,-9.9 -2,-0.4 2,-0.8 -0.759 20.5 177.1 -91.0 107.3 14.4 42.7 13.9 30 30 A V E -ab 93 124A 0 62,-1.2 64,-1.4 -2,-0.9 2,-0.7 -0.900 10.0-173.0-108.2 92.6 13.8 41.8 17.4 31 31 A I E +ab 94 125A 0 93,-2.9 95,-0.8 -2,-0.8 2,-0.2 -0.858 37.3 103.5 -94.8 111.2 14.0 37.8 17.1 32 32 A D E S-a 95 0A 2 62,-2.8 64,-1.0 -2,-0.7 65,-0.7 -0.845 88.1 -46.4-166.0-163.4 13.0 36.5 20.5 33 33 A S S S- 0 0 2 -2,-0.2 29,-0.4 1,-0.2 2,-0.2 0.705 99.7 -86.3 -63.3 -15.8 10.3 34.9 22.6 34 34 A G - 0 0 0 60,-0.3 36,-0.3 27,-0.1 -1,-0.2 -0.908 36.2-109.7 145.2-166.5 7.9 37.4 21.1 35 35 A I - 0 0 0 23,-0.8 2,-0.3 -2,-0.2 32,-0.1 -0.949 33.6-108.3-163.4 142.9 6.4 41.5 21.8 36 36 A D - 0 0 11 -2,-0.2 24,-0.1 1,-0.2 23,-0.1 -0.618 21.1-173.9 -76.2 133.5 3.0 42.7 23.1 37 37 A S S S+ 0 0 59 22,-1.1 -1,-0.2 -2,-0.3 5,-0.2 0.856 85.4 65.4 -87.3 -48.4 0.5 44.4 20.9 38 38 A S S S+ 0 0 96 21,-0.4 -1,-0.1 2,-0.1 4,-0.1 0.839 74.5 107.2 -34.5 -54.0 -1.7 45.0 23.8 39 39 A H > - 0 0 6 1,-0.2 3,-0.6 2,-0.1 174,-0.1 -0.137 68.6-141.1 -45.8 117.0 0.7 47.3 25.5 40 40 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.378 102.2 51.6 -44.0 -23.9 -0.5 51.0 25.3 41 41 A D T 3 S+ 0 0 0 39,-0.1 35,-0.4 -4,-0.0 2,-0.3 -0.404 96.9 79.4-122.8 56.6 3.1 51.9 24.7 42 42 A L < - 0 0 11 -3,-0.6 2,-0.3 33,-0.2 33,-0.1 -0.989 49.0-169.4-156.6 144.5 4.0 49.6 21.8 43 43 A K - 0 0 165 31,-0.4 48,-0.4 -2,-0.3 2,-0.4 -0.869 9.2-162.3-150.2 118.2 3.5 49.7 18.1 44 44 A V - 0 0 31 -2,-0.3 48,-0.2 1,-0.1 3,-0.1 -0.851 12.6-163.8 -98.4 122.5 4.2 46.6 16.0 45 45 A A - 0 0 51 46,-3.0 2,-0.3 -2,-0.4 47,-0.2 0.810 65.7 -75.0 -75.8 -40.5 4.7 47.0 12.1 46 46 A G E -c 92 0A 16 45,-1.0 47,-1.9 2,-0.0 2,-0.2 -0.969 49.2-164.8-176.8-157.3 4.2 43.1 11.8 47 47 A G E -c 93 0A 30 -2,-0.3 47,-0.2 45,-0.2 2,-0.2 -0.951 13.2-141.0 159.9-177.6 5.6 39.6 12.2 48 48 A A - 0 0 29 45,-0.7 47,-0.2 -2,-0.2 10,-0.1 -0.690 21.5-131.1-165.2 118.4 5.6 35.9 11.5 49 49 A S - 0 0 29 -2,-0.2 47,-0.2 45,-0.1 6,-0.1 -0.180 13.2-170.0 -81.2 157.7 6.4 32.8 13.9 50 50 A M + 0 0 71 45,-1.8 46,-0.2 1,-0.2 -1,-0.1 0.422 65.2 68.0-125.7 -10.6 8.7 30.1 12.7 51 51 A V S S- 0 0 2 44,-0.6 2,-2.2 3,-0.3 -1,-0.2 -0.949 78.4-128.5-126.2 129.4 8.3 27.4 15.4 52 52 A P S S+ 0 0 114 0, 0.0 3,-0.2 0, 0.0 46,-0.1 -0.335 86.5 68.7 -69.3 56.4 5.0 25.4 15.9 53 53 A S S S+ 0 0 93 -2,-2.2 2,-1.4 1,-0.5 45,-0.1 0.454 110.8 22.5-133.6 -82.0 4.1 25.7 19.2 54 54 A E 0 0 50 1,-0.2 -1,-0.5 43,-0.1 -3,-0.3 -0.887 360.0 360.0 -78.4 102.3 3.1 29.3 20.0 55 55 A T 0 0 74 -2,-1.4 -1,-0.2 -3,-0.2 -6,-0.1 -0.028 360.0 360.0-135.6 360.0 2.4 29.7 16.3 56 ! 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 57 56 A P 0 0 92 0, 0.0 -8,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -59.2 0.0 35.7 16.3 58 57 A N + 0 0 7 -10,-0.1 -23,-0.8 36,-0.1 -10,-0.1 0.541 360.0 105.0 80.8 17.8 3.4 35.5 18.2 59 58 A F + 0 0 59 -25,-0.1 -22,-1.1 -12,-0.1 2,-0.7 0.472 61.9 77.3-103.9 4.0 1.8 39.0 19.1 60 59 A Q S S- 0 0 88 -24,-0.1 2,-0.7 -23,-0.1 -24,-0.1 -0.839 76.6-160.3-115.2 110.8 1.1 37.3 22.4 61 60 A D + 0 0 3 -2,-0.7 2,-0.5 -27,-0.1 -27,-0.1 -0.809 15.6 178.7-107.6 133.2 4.2 37.2 24.3 62 61 A D S S+ 0 0 71 -2,-0.7 -1,-0.1 -29,-0.4 -2,-0.0 -0.722 79.2 30.1-115.3 95.0 4.5 34.6 27.3 63 62 A N S S- 0 0 63 -2,-0.5 -2,-0.1 36,-0.1 36,-0.1 -0.388 88.9-132.2 148.5 -85.2 8.0 35.1 28.7 64 63 A S > + 0 0 2 146,-0.1 4,-0.6 4,-0.0 5,-0.2 0.550 67.1 121.5 113.2 11.3 8.9 38.8 28.1 65 64 A H H > S+ 0 0 67 3,-0.2 4,-0.6 1,-0.2 -4,-0.0 0.835 89.3 20.1 -66.6 -26.5 12.3 38.2 26.6 66 65 A G H > S+ 0 0 0 2,-0.2 4,-3.3 3,-0.2 5,-0.2 0.693 117.6 59.6-119.3 -34.8 11.6 39.9 23.6 67 66 A T H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 142,-0.3 0.910 117.9 41.3 -65.1 -44.7 8.5 42.1 24.4 68 67 A H H X S+ 0 0 1 -4,-0.6 4,-1.3 2,-0.2 3,-0.3 0.969 116.3 48.7 -63.2 -58.9 11.0 43.6 27.0 69 68 A V H >X S+ 0 0 0 -4,-0.6 4,-1.2 2,-0.2 3,-0.7 0.947 110.6 48.4 -49.5 -55.2 14.0 43.6 24.5 70 69 A A H 3X S+ 0 0 0 -4,-3.3 4,-1.8 -36,-0.3 -1,-0.2 0.763 101.8 70.8 -55.8 -22.0 12.0 45.2 21.8 71 70 A G H 3< S+ 0 0 1 -4,-1.2 4,-0.4 -3,-0.3 3,-0.4 0.987 100.0 42.6 -58.2 -48.2 11.1 47.6 24.6 72 71 A T H << S+ 0 0 11 -4,-1.3 13,-1.0 -3,-0.7 -1,-0.3 0.839 106.7 66.7 -79.5 -24.2 14.5 49.1 24.6 73 72 A V H < S- 0 0 2 -4,-1.2 13,-1.1 1,-0.2 12,-0.3 0.900 130.6 -35.3 -52.6 -63.1 14.3 48.9 20.9 74 73 A A < - 0 0 4 -4,-1.8 2,-0.6 -3,-0.4 -31,-0.4 -0.486 61.3-172.0-173.5 105.2 11.5 51.6 20.7 75 74 A A - 0 0 0 -4,-0.4 9,-0.4 -3,-0.2 -33,-0.2 -0.843 44.3 -86.3-115.3 120.6 8.7 52.1 23.1 76 75 A L - 0 0 45 -2,-0.6 2,-0.6 -35,-0.4 5,-0.3 0.263 40.3-134.2 -24.2 128.7 5.9 54.5 22.3 77 76 A N + 0 0 122 3,-0.1 2,-0.2 10,-0.1 -1,-0.1 -0.905 60.9 79.4 -99.2 113.4 6.7 58.0 23.3 78 77 A N S > S- 0 0 62 -2,-0.6 2,-2.3 -76,-0.1 3,-0.5 -0.886 101.6 -36.6 178.4-158.5 3.9 59.9 25.2 79 78 A S T 3 S+ 0 0 81 -2,-0.2 -2,-0.1 1,-0.2 -76,-0.1 -0.350 112.4 88.2 -84.1 71.2 2.5 60.1 28.8 80 79 A I T 3 S- 0 0 67 -2,-2.3 -1,-0.2 2,-0.2 2,-0.2 0.710 89.2 -92.2-137.9 -28.8 3.1 56.2 29.2 81 80 A G S < S+ 0 0 8 -3,-0.5 -77,-0.2 1,-0.5 -78,-0.1 -0.456 70.7 13.6 123.2 148.1 6.7 55.6 30.5 82 81 A V - 0 0 15 -79,-5.2 -1,-0.5 -2,-0.2 2,-0.3 0.346 54.8-159.5 51.7 172.8 10.3 54.9 29.5 83 82 A L - 0 0 20 -6,-0.1 -75,-0.3 -78,-0.1 -7,-0.1 -0.940 0.8-147.4-174.4 162.7 11.7 55.3 26.0 84 83 A G - 0 0 0 -9,-0.4 -11,-0.2 -2,-0.3 -10,-0.1 0.010 41.1 -70.2-123.1-141.7 14.5 54.1 24.0 85 84 A V S S+ 0 0 0 -13,-1.0 -11,-0.1 -12,-0.3 -12,-0.1 0.944 123.8 20.4 -71.2 -68.2 16.8 55.0 21.2 86 85 A A > + 0 0 0 -13,-1.1 3,-0.6 -14,-0.2 -1,-0.2 -0.833 65.6 171.4-116.2 87.4 14.3 54.9 18.3 87 86 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.2 0, 0.0 -64,-0.1 0.793 78.8 45.0 -61.8 -30.2 10.9 55.3 19.7 88 87 A S T 3 S+ 0 0 65 -66,-0.9 -63,-0.3 -12,-0.1 2,-0.2 0.095 79.3 115.7-118.3 33.3 9.3 55.6 16.2 89 88 A S S < S- 0 0 11 -3,-0.6 2,-0.3 -65,-0.2 -62,-0.2 -0.655 79.1 -94.7 -81.5 169.1 10.9 53.0 14.2 90 89 A A E -a 27 0A 41 -64,-1.8 -62,-1.6 -67,-0.2 2,-0.9 -0.316 39.4-137.8 -90.8 100.4 8.7 50.2 12.8 91 90 A L E -a 28 0A 1 -48,-0.4 -46,-3.0 -2,-0.3 -45,-1.0 -0.723 16.0-166.7 -65.3 121.4 8.8 47.3 15.2 92 91 A Y E -ac 29 46A 48 -64,-1.3 -62,-1.2 -2,-0.9 2,-0.7 -0.860 10.7-154.8 -96.8 108.1 9.0 43.9 13.4 93 92 A A E -ac 30 47A 0 -47,-1.9 -45,-0.7 -2,-0.7 2,-0.5 -0.688 14.4-179.6-100.3 105.7 8.3 41.2 16.0 94 93 A V E -a 31 0A 1 -64,-1.4 -62,-2.8 -2,-0.7 2,-0.6 -0.903 11.1-161.4-100.5 125.4 9.8 37.7 15.2 95 94 A K E +a 32 0A 0 -2,-0.5 -45,-1.8 -47,-0.2 -44,-0.6 -0.971 26.5 153.0-113.1 108.5 9.3 34.7 17.5 96 95 A V + 0 0 0 -64,-1.0 8,-0.5 -2,-0.6 2,-0.3 0.134 63.7 65.1-110.1 16.7 11.8 31.8 17.0 97 96 A L S S- 0 0 19 -65,-0.7 6,-0.2 6,-0.1 -46,-0.2 -0.831 74.4-136.2-138.4 164.5 11.5 30.5 20.5 98 97 A G - 0 0 16 4,-1.4 -36,-0.2 -2,-0.3 5,-0.1 0.723 54.3-121.4 -95.0 -28.2 8.6 28.9 22.4 99 98 A D S S+ 0 0 9 3,-0.3 3,-0.2 -36,-0.1 -36,-0.1 0.254 91.2 49.9 91.1 113.1 9.3 31.1 25.6 100 99 A A S S+ 0 0 91 1,-0.5 2,-0.3 0, 0.0 -37,-0.1 0.937 123.2 28.2 76.7 65.9 10.1 29.9 28.9 101 100 A G S S- 0 0 60 -3,-0.0 -1,-0.5 -4,-0.0 -4,-0.0 -0.977 94.1 -97.3 150.2-144.7 12.7 27.6 27.3 102 101 A S - 0 0 91 -2,-0.3 -4,-1.4 -3,-0.2 -3,-0.3 -0.059 27.3-148.8-141.1-129.0 14.8 27.9 24.0 103 102 A G - 0 0 28 -6,-0.2 2,-0.4 -5,-0.1 -6,-0.1 -0.909 33.1 -66.7 160.0-163.7 14.2 26.5 20.5 104 103 A Q >> - 0 0 127 -8,-0.5 3,-2.6 -2,-0.3 4,-1.3 -0.966 36.2-113.9-127.0 141.8 16.5 25.3 17.5 105 104 A Y H 3> S+ 0 0 67 -2,-0.4 4,-5.5 1,-0.3 5,-0.5 0.811 118.0 70.3 -33.1 -46.6 18.8 27.2 15.3 106 105 A S H 3> S+ 0 0 58 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.869 107.5 38.1 -48.9 -28.2 16.2 26.2 12.5 107 106 A W H <> S+ 0 0 61 -3,-2.6 4,-1.3 2,-0.2 5,-0.3 0.882 120.5 46.4 -92.5 -35.7 14.0 28.7 14.4 108 107 A I H X S+ 0 0 26 -4,-1.3 4,-0.6 1,-0.3 -2,-0.2 0.955 117.9 41.9 -66.5 -56.3 17.0 31.1 15.1 109 108 A I H < S+ 0 0 30 -4,-5.5 -1,-0.3 2,-0.1 -2,-0.2 0.581 113.7 55.2 -58.2 -30.6 18.2 30.8 11.4 110 109 A N H >< S+ 0 0 72 -4,-0.7 3,-1.7 -5,-0.5 4,-0.2 0.922 106.5 40.2 -82.2 -58.4 14.6 31.1 9.9 111 110 A G H >X S+ 0 0 0 -4,-1.3 4,-1.3 1,-0.2 3,-0.6 0.677 109.9 64.4 -63.5 -18.5 12.9 34.3 11.2 112 111 A I T 3< S+ 0 0 2 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.161 102.6 48.1 -90.1 14.1 16.4 36.1 10.8 113 112 A E T <> S+ 0 0 64 -3,-1.7 4,-1.0 3,-0.1 -1,-0.3 0.159 107.5 55.4-128.0 -9.5 16.0 35.5 7.0 114 113 A W T <4 S+ 0 0 50 -3,-0.6 4,-0.2 -4,-0.2 -2,-0.2 0.716 108.2 47.3 -75.6 -44.4 12.5 36.8 7.0 115 114 A A T <>S+ 0 0 0 -4,-1.3 5,-0.6 2,-0.2 -86,-0.1 0.388 122.2 37.4 -86.3 -6.9 13.7 40.1 8.6 116 115 A I T >45S+ 0 0 19 3,-0.2 3,-0.5 -5,-0.1 -2,-0.2 0.583 122.6 39.8-117.3 -47.2 16.5 40.3 6.0 117 116 A A T 3<5S+ 0 0 80 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.2 0.427 113.4 58.9 -88.5 22.0 14.6 39.0 3.0 118 117 A N T 3 5S- 0 0 73 -4,-0.2 -1,-0.2 2,-0.0 -3,-0.2 0.286 123.7-106.0-128.7 16.9 11.6 41.1 4.3 119 118 A N T < 5 + 0 0 120 -3,-0.5 2,-0.3 1,-0.2 -92,-0.3 0.795 58.7 169.2 57.4 33.7 13.9 44.4 4.0 120 119 A M < - 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