==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-MAR-01 1IAV . COMPND 2 MOLECULE: SUBTILISIN SAVINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LENTUS; . AUTHOR M.KNAPP,R.BOTT . 269 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.5 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 . 1 0.4 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 . 21 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 2 0 0 0 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 3 2 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 . 3 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 . 1 0 0 0 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 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 0 124 0, 0.0 2,-0.4 0, 0.0 77,-0.3 0.000 360.0 360.0 360.0 142.4 -2.0 -27.1 -31.5 2 2 A Q - 0 0 50 75,-0.2 2,-0.4 73,-0.2 77,-0.2 -0.799 360.0-159.3-100.1 133.3 -1.7 -27.9 -27.7 3 3 A S - 0 0 61 75,-2.7 77,-0.2 -2,-0.4 74,-0.0 -0.887 13.9-134.4-114.1 153.3 -0.5 -31.3 -26.6 4 4 A V - 0 0 66 -2,-0.4 77,-0.1 75,-0.2 5,-0.1 -0.919 26.6-128.1-105.3 109.3 -1.1 -32.9 -23.2 5 5 A P > - 0 0 13 0, 0.0 4,-1.6 0, 0.0 3,-0.4 -0.151 23.8-111.5 -53.1 151.2 2.1 -34.4 -21.9 6 6 A W H > S+ 0 0 50 1,-0.2 4,-2.8 192,-0.2 5,-0.1 0.860 115.3 54.9 -56.2 -45.3 1.9 -38.0 -20.8 7 7 A G H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.877 103.4 56.2 -59.7 -36.6 2.2 -37.2 -17.0 8 8 A I H 4>S+ 0 0 3 -3,-0.4 5,-2.0 1,-0.2 4,-0.3 0.923 114.0 39.2 -58.6 -45.0 -0.7 -34.8 -17.1 9 9 A S H ><5S+ 0 0 63 -4,-1.6 3,-1.1 3,-0.2 -2,-0.2 0.928 110.9 60.5 -77.1 -33.5 -2.9 -37.5 -18.5 10 10 A R H 3<5S+ 0 0 69 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.857 107.3 45.1 -56.0 -43.8 -1.3 -40.1 -16.1 11 11 A V T 3<5S- 0 0 0 -4,-2.9 253,-2.5 252,-0.1 254,-0.7 0.523 114.2-122.3 -80.3 1.6 -2.4 -38.1 -13.1 12 12 A Q T X>5 + 0 0 79 -3,-1.1 4,-1.0 -4,-0.3 3,-0.6 0.820 57.4 152.6 65.5 32.0 -5.8 -37.7 -14.6 13 13 A A H >>< + 0 0 0 -5,-2.0 4,-2.1 1,-0.2 3,-1.2 0.932 67.9 60.4 -56.2 -45.2 -5.8 -33.8 -14.6 14 14 A P H 3> S+ 0 0 41 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.795 98.2 57.9 -55.7 -34.9 -8.2 -33.7 -17.7 15 15 A A H <4 S+ 0 0 30 -3,-0.6 4,-0.2 2,-0.2 -2,-0.2 0.852 109.5 45.9 -58.7 -41.8 -10.9 -35.5 -15.7 16 16 A A H X<>S+ 0 0 0 -3,-1.2 5,-2.1 -4,-1.0 3,-1.7 0.888 108.8 54.1 -70.9 -42.8 -10.7 -32.7 -13.1 17 17 A H H ><5S+ 0 0 25 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.897 102.5 59.3 -60.5 -34.9 -10.8 -30.0 -15.7 18 18 A N T 3<5S+ 0 0 144 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.514 102.3 54.1 -69.6 -12.5 -14.0 -31.6 -17.1 19 19 A R T < 5S- 0 0 105 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.235 128.3 -97.9 -97.8 2.5 -15.6 -31.0 -13.7 20 20 A G T < 5S+ 0 0 49 -3,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.533 82.7 132.2 92.3 9.8 -14.7 -27.2 -13.7 21 21 A L < + 0 0 16 -5,-2.1 -1,-0.2 1,-0.1 -2,-0.2 -0.863 5.8 137.9-107.8 113.7 -11.5 -27.6 -11.6 22 22 A T S S- 0 0 21 -2,-0.7 63,-2.9 61,-0.1 64,-0.5 0.220 77.2 -93.6-134.2 4.7 -8.5 -25.8 -12.9 23 23 A G > + 0 0 0 1,-0.2 3,-1.9 203,-0.2 64,-0.5 0.549 61.4 172.0 91.6 6.7 -6.9 -24.3 -9.8 24 24 A S T 3 + 0 0 57 1,-0.3 -1,-0.2 62,-0.2 62,-0.2 -0.250 68.4 11.9 -52.8 126.5 -8.6 -20.9 -10.2 25 25 A G T 3 S+ 0 0 48 60,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.554 97.5 120.3 80.2 9.0 -8.0 -18.7 -7.2 26 26 A V < - 0 0 3 -3,-1.9 61,-2.8 59,-0.2 2,-0.5 -0.921 56.4-141.8-106.1 129.8 -5.3 -20.9 -5.7 27 27 A K E -a 87 0A 62 -2,-0.5 91,-2.5 89,-0.2 92,-1.7 -0.840 18.6-173.1 -96.5 126.6 -1.9 -19.2 -5.3 28 28 A V E -ab 88 119A 0 59,-2.9 61,-3.0 -2,-0.5 2,-0.5 -0.954 9.1-158.5-126.1 122.5 1.2 -21.4 -6.1 29 29 A A E -ab 89 120A 0 90,-2.9 92,-3.1 -2,-0.5 2,-0.7 -0.802 5.0-155.1 -99.1 130.0 4.7 -20.3 -5.4 30 30 A V E -ab 90 121A 1 59,-2.5 61,-2.1 -2,-0.5 2,-0.9 -0.920 6.1-161.7-107.1 103.5 7.5 -22.0 -7.4 31 31 A L E +ab 91 122A 0 90,-2.2 92,-0.6 -2,-0.7 2,-0.2 -0.805 52.3 89.8 -88.3 110.6 10.8 -21.8 -5.4 32 32 A D E S-a 92 0A 0 59,-1.6 61,-2.6 -2,-0.9 62,-2.1 -0.703 94.4 -38.4-166.2-148.6 13.4 -22.5 -8.0 33 33 A T S S- 0 0 1 1,-0.3 26,-0.7 -2,-0.2 27,-0.3 0.286 95.0 -87.4 -83.4 4.2 15.6 -20.7 -10.5 34 34 A G - 0 0 1 57,-0.3 2,-0.3 -4,-0.2 -1,-0.3 -0.626 39.5 -97.7 117.0-179.9 13.0 -18.2 -11.6 35 35 A I - 0 0 0 21,-2.5 2,-0.3 -2,-0.2 55,-0.1 -0.949 31.4-139.6-139.2 117.3 10.2 -18.4 -14.3 36 36 A S - 0 0 12 -2,-0.3 21,-0.1 21,-0.3 -2,-0.0 -0.625 32.3 -98.3 -77.3 144.2 10.8 -16.9 -17.8 37 38 A T + 0 0 103 -2,-0.3 169,-0.4 2,-0.1 168,-0.3 -0.337 55.8 172.0 -52.0 137.6 8.0 -15.0 -19.5 38 39 A H > - 0 0 8 3,-0.4 3,-1.8 166,-0.1 5,-0.1 -0.988 44.7-120.4-153.6 145.1 6.5 -17.6 -21.9 39 40 A P T 3 S+ 0 0 71 0, 0.0 38,-0.1 0, 0.0 -2,-0.1 0.716 113.6 51.9 -67.8 -10.5 3.4 -17.5 -24.1 40 41 A D T 3 S+ 0 0 0 32,-0.0 33,-2.5 35,-0.0 2,-0.3 0.163 103.7 70.5-109.6 19.6 2.0 -20.6 -22.3 41 42 A L < - 0 0 15 -3,-1.8 2,-0.6 31,-0.2 -3,-0.4 -0.994 59.4-156.6-131.2 151.0 2.4 -19.2 -18.8 42 43 A N - 0 0 74 29,-0.3 46,-0.8 -2,-0.3 2,-0.7 -0.936 17.0-166.7-123.9 98.2 0.7 -16.4 -16.8 43 44 A I E -c 88 0A 43 -2,-0.6 46,-0.2 1,-0.1 3,-0.1 -0.839 5.2-171.1 -92.0 113.0 3.2 -15.3 -14.0 44 45 A R E - 0 0 109 44,-2.6 2,-0.3 -2,-0.7 45,-0.2 0.688 54.6 -58.9 -76.4 -23.4 1.4 -13.2 -11.5 45 46 A G E +c 89 0A 30 43,-0.7 45,-3.0 11,-0.0 2,-0.3 -0.949 56.5 164.0 166.0-163.7 4.3 -11.9 -9.4 46 47 A G E -c 90 0A 29 43,-0.3 2,-0.3 -2,-0.3 45,-0.3 -0.950 25.7-117.5 147.2-172.3 7.3 -13.1 -7.3 47 48 A A E -c 91 0A 21 43,-1.4 45,-2.5 -2,-0.3 2,-0.4 -0.957 15.0-130.7-155.9 159.9 10.6 -12.1 -5.7 48 49 A S E -c 92 0A 26 6,-0.3 45,-0.2 -2,-0.3 8,-0.1 -0.973 15.1-177.9-121.8 135.3 14.3 -13.1 -6.0 49 50 A F + 0 0 46 43,-2.9 44,-0.1 -2,-0.4 58,-0.1 0.000 56.0 108.4-118.6 21.0 16.4 -13.9 -2.9 50 51 A V > - 0 0 20 3,-0.5 3,-1.8 42,-0.2 2,-0.2 -0.942 69.2-138.1-103.1 108.0 19.4 -14.5 -5.1 51 52 A P T 3 S+ 0 0 119 0, 0.0 -2,-0.1 0, 0.0 53,-0.0 -0.506 93.8 31.8 -63.0 133.4 21.9 -11.6 -4.6 52 53 A G T 3 S+ 0 0 83 -2,-0.2 3,-0.0 43,-0.0 43,-0.0 0.330 113.1 64.5 97.8 -11.4 23.2 -10.8 -8.1 53 54 A E < + 0 0 44 -3,-1.8 -3,-0.5 39,-0.1 39,-0.1 -0.655 53.3 168.4-141.8 77.9 19.9 -11.7 -10.0 54 55 A P + 0 0 127 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 0.569 56.8 85.4 -67.7 -14.7 17.3 -9.2 -8.8 55 56 A S S S- 0 0 54 -8,-0.1 -5,-0.1 2,-0.1 -8,-0.1 -0.599 74.3-140.3 -90.4 155.8 15.0 -10.4 -11.5 56 57 A T + 0 0 33 -2,-0.2 -21,-2.5 -21,-0.1 -9,-0.1 0.267 65.9 117.3 -93.1 -2.7 12.6 -13.4 -11.4 57 58 A Q S S- 0 0 77 -23,-0.3 2,-0.7 1,-0.1 -21,-0.3 -0.312 71.7-110.8 -65.7 153.2 13.4 -14.4 -15.0 58 60 A D + 0 0 12 1,-0.1 -24,-0.2 -24,-0.1 -1,-0.1 -0.744 33.0 176.8 -98.7 115.7 15.0 -17.8 -15.3 59 61 A G S S+ 0 0 54 -26,-0.7 -1,-0.1 -2,-0.7 -25,-0.1 0.360 84.7 43.4 -88.2 4.7 18.6 -18.1 -16.4 60 62 A N S S- 0 0 57 -27,-0.3 -1,-0.1 38,-0.0 -26,-0.1 0.791 91.1-133.2-114.6 -47.7 18.5 -21.9 -16.0 61 63 A G S > S+ 0 0 0 -28,-0.1 4,-2.1 -27,-0.1 5,-0.2 -0.012 80.4 99.2 117.3 -21.3 15.3 -23.3 -17.4 62 64 A H H > S+ 0 0 26 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.939 83.2 46.2 -62.9 -49.0 14.5 -25.6 -14.5 63 65 A G H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.890 111.6 50.9 -61.4 -38.3 12.0 -23.3 -12.8 64 66 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 138,-0.3 0.895 110.8 50.8 -66.5 -39.4 10.2 -22.5 -16.1 65 67 A H H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 3,-0.4 0.952 112.6 46.0 -59.5 -59.0 9.9 -26.3 -16.7 66 68 A V H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 3,-0.4 0.922 110.3 53.8 -51.4 -53.3 8.5 -26.8 -13.2 67 69 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.855 104.8 53.6 -55.9 -37.9 6.0 -24.0 -13.6 68 70 A G H X S+ 0 0 1 -4,-1.7 4,-2.1 -3,-0.4 -1,-0.2 0.822 103.5 56.1 -69.1 -31.3 4.6 -25.4 -16.9 69 71 A T H < S+ 0 0 5 -4,-1.6 13,-2.9 -3,-0.4 14,-0.2 0.925 115.4 39.7 -64.7 -38.3 3.8 -28.8 -15.3 70 72 A I H < S+ 0 0 0 -4,-1.7 13,-3.5 11,-0.2 -2,-0.2 0.976 139.2 0.5 -72.2 -52.9 1.8 -27.0 -12.7 71 73 A A H < + 0 0 3 -4,-2.7 -29,-0.3 11,-0.2 -3,-0.2 0.058 65.9 158.5-140.1 34.0 0.1 -24.3 -14.8 72 74 A A < - 0 0 0 -4,-2.1 9,-2.5 1,-0.1 -31,-0.2 -0.324 58.1 -97.6 -58.8 135.7 0.8 -24.2 -18.5 73 75 A L - 0 0 42 -33,-2.5 2,-1.1 7,-0.2 4,-0.2 -0.231 23.8-125.4 -64.9 140.4 -2.2 -22.3 -19.9 74 76 A N S S+ 0 0 95 10,-0.2 2,-0.2 6,-0.1 -1,-0.1 -0.795 70.8 101.1 -84.7 98.7 -5.1 -24.2 -21.4 75 77 A N S S- 0 0 58 -2,-1.1 -73,-0.2 2,-0.4 -35,-0.0 -0.651 88.2 -61.9-152.6-146.2 -5.3 -22.6 -24.9 76 78 A S S S+ 0 0 93 -2,-0.2 2,-0.3 -75,-0.1 -2,-0.1 0.252 102.7 59.3-102.8 16.9 -4.2 -23.5 -28.5 77 79 A I S S- 0 0 70 -4,-0.2 -2,-0.4 2,-0.2 -75,-0.2 -0.846 93.0 -9.4-135.8 171.3 -0.4 -23.8 -28.1 78 80 A G S S- 0 0 13 -77,-0.3 -75,-2.7 -2,-0.3 2,-0.1 -0.157 95.8 -37.2 51.0-125.6 2.3 -25.5 -26.3 79 81 A V - 0 0 3 -77,-0.2 -4,-0.4 -39,-0.1 2,-0.4 -0.299 50.3-114.9-122.0-164.0 1.3 -27.8 -23.4 80 82 A L - 0 0 9 -77,-0.2 -7,-0.2 -2,-0.1 2,-0.1 -0.974 21.1-142.5-140.7 133.9 -1.2 -28.0 -20.5 81 83 A G - 0 0 0 -9,-2.5 -11,-0.2 -2,-0.4 -10,-0.2 -0.358 28.2-110.1 -89.3 177.4 -0.5 -27.9 -16.8 82 84 A V S S+ 0 0 0 -13,-2.9 -11,-0.2 1,-0.3 -12,-0.2 0.899 118.8 23.5 -68.4 -38.9 -2.3 -29.9 -14.0 83 85 A A S > S+ 0 0 0 -13,-3.5 3,-1.9 -14,-0.2 -1,-0.3 -0.741 74.8 176.6-128.6 76.1 -3.9 -26.6 -12.7 84 86 A P T 3 S+ 0 0 2 0, 0.0 -10,-0.2 0, 0.0 -61,-0.2 0.627 79.3 48.5 -63.5 -15.5 -3.9 -24.3 -15.8 85 87 A N T 3 S+ 0 0 71 -63,-2.9 -60,-0.5 -12,-0.1 -59,-0.2 0.251 81.5 125.4-101.0 0.2 -5.8 -21.5 -13.9 86 88 A A < - 0 0 5 -3,-1.9 2,-0.9 -64,-0.5 -59,-0.2 -0.254 69.7-112.4 -59.1 151.5 -3.6 -21.5 -10.8 87 89 A E E -a 27 0A 43 -61,-2.8 -59,-2.9 -64,-0.5 2,-0.4 -0.758 38.1-149.8 -87.0 110.2 -2.1 -18.1 -9.8 88 90 A L E -ac 28 43A 0 -2,-0.9 -44,-2.6 -46,-0.8 -43,-0.7 -0.692 15.6-171.1 -89.7 128.3 1.6 -18.6 -10.4 89 91 A Y E -ac 29 45A 32 -61,-3.0 -59,-2.5 -2,-0.4 2,-0.8 -0.946 17.6-141.6-119.1 130.6 4.4 -16.8 -8.4 90 92 A A E -ac 30 46A 0 -45,-3.0 -43,-1.4 -2,-0.4 2,-0.6 -0.839 20.5-178.7 -89.3 107.2 8.0 -16.9 -9.4 91 93 A V E -ac 31 47A 0 -61,-2.1 -59,-1.6 -2,-0.8 2,-0.6 -0.909 15.1-153.6-108.7 100.6 10.1 -17.2 -6.1 92 94 A K E +ac 32 48A 5 -45,-2.5 -43,-2.9 -2,-0.6 -59,-0.2 -0.662 36.9 146.0 -84.2 106.7 13.8 -17.3 -7.2 93 95 A V + 0 0 0 -61,-2.6 2,-0.4 -2,-0.6 8,-0.2 0.370 62.5 57.1-120.2 -9.6 15.9 -19.1 -4.5 94 96 A L S S- 0 0 11 -62,-2.1 6,-0.3 6,-0.1 -1,-0.2 -0.975 79.4-129.3-123.7 146.6 18.4 -20.7 -6.8 95 97 A G > - 0 0 5 4,-2.2 3,-2.5 -2,-0.4 -2,-0.1 -0.156 39.0 -85.6 -82.6 179.2 20.7 -18.9 -9.3 96 98 A A T 3 S+ 0 0 44 1,-0.3 -63,-0.1 2,-0.2 -1,-0.1 0.755 127.5 64.2 -50.1 -36.9 21.3 -19.6 -13.0 97 99 A S T 3 S- 0 0 106 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.673 117.8-117.7 -63.0 -22.0 23.9 -22.2 -12.0 98 100 A G S < S+ 0 0 31 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.404 81.2 97.2 93.7 6.0 20.9 -24.0 -10.5 99 101 A S + 0 0 75 -66,-0.1 -4,-2.2 25,-0.0 -1,-0.3 -0.897 41.7 164.2-118.6 156.5 22.1 -23.9 -6.9 100 102 A G - 0 0 42 -2,-0.3 2,-0.2 -6,-0.3 -6,-0.1 -0.934 35.5 -88.0-155.0-179.4 21.4 -21.6 -4.0 101 103 A S > - 0 0 58 -2,-0.3 4,-2.0 -8,-0.2 3,-0.2 -0.531 30.1-119.6 -93.1 158.2 21.8 -21.3 -0.1 102 104 A V H > S+ 0 0 60 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.744 116.2 65.2 -63.8 -23.9 19.3 -22.5 2.5 103 105 A S H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.969 104.5 40.6 -64.4 -49.4 19.3 -18.9 3.4 104 106 A S H > S+ 0 0 9 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.841 116.0 51.2 -64.4 -40.3 17.7 -18.0 0.1 105 107 A I H X S+ 0 0 15 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.911 110.1 49.6 -65.3 -42.3 15.4 -21.0 0.2 106 108 A A H X S+ 0 0 15 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.917 110.5 50.1 -60.4 -47.2 14.3 -20.0 3.8 107 109 A Q H X S+ 0 0 80 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.842 108.1 53.8 -56.2 -42.3 13.6 -16.4 2.7 108 110 A G H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.883 110.3 46.6 -63.5 -38.2 11.5 -17.7 -0.2 109 111 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.856 111.8 50.3 -71.3 -35.9 9.4 -19.8 2.2 110 112 A E H X S+ 0 0 109 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.966 110.4 50.8 -63.5 -47.5 9.0 -16.9 4.5 111 113 A W H X S+ 0 0 42 -4,-2.7 4,-1.4 1,-0.3 -2,-0.2 0.933 109.3 51.2 -52.9 -51.1 7.9 -14.8 1.6 112 114 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.4 0.911 111.3 46.2 -58.7 -43.6 5.4 -17.4 0.6 113 115 A G H ><5S+ 0 0 4 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.878 113.8 49.5 -70.4 -30.9 3.9 -17.6 4.1 114 116 A N H 3<5S+ 0 0 87 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.610 111.6 49.3 -76.9 -20.5 3.8 -13.8 4.3 115 117 A N T 3<5S- 0 0 71 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.144 113.9-111.5-107.4 14.6 2.1 -13.5 0.8 116 118 A G T < 5 + 0 0 39 -3,-0.7 -89,-0.2 1,-0.2 -3,-0.2 0.798 49.4 175.0 59.7 40.6 -0.6 -16.0 1.4 117 119 A M < - 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