==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 22-NOV-91 1ST3 . COMPND 2 MOLECULE: SUBTILISIN BL; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LENTUS; . AUTHOR D.W.GODDETTE . 269 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 13.4 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 . 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 . 21 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 24.2 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 1 1 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 4 1 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 G 0 0 95 0, 0.0 2,-0.4 0, 0.0 77,-0.4 0.000 360.0 360.0 360.0 149.2 28.5 26.8 6.1 2 2 A Q - 0 0 54 75,-0.2 2,-0.4 73,-0.1 77,-0.2 -0.915 360.0-153.0-107.6 140.2 28.2 27.9 9.9 3 3 A S - 0 0 64 75,-3.3 77,-0.2 -2,-0.4 74,-0.0 -0.849 8.9-142.3-104.7 137.7 26.6 31.2 11.0 4 4 A V - 0 0 66 -2,-0.4 75,-0.1 75,-0.2 77,-0.1 -0.899 25.7-129.7-100.2 109.2 27.5 32.9 14.3 5 5 A P >> - 0 0 11 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.355 19.8-114.7 -55.0 145.3 24.3 34.4 15.9 6 6 A W H 3> S+ 0 0 59 1,-0.3 4,-2.8 192,-0.2 5,-0.1 0.832 114.5 55.9 -52.3 -36.3 24.6 38.1 16.9 7 7 A G H 3> S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.873 103.8 53.6 -65.9 -36.8 24.2 37.2 20.6 8 8 A I H <4>S+ 0 0 4 -3,-1.0 5,-1.9 2,-0.2 -1,-0.2 0.917 113.6 43.0 -66.0 -41.4 27.1 34.8 20.5 9 9 A S H ><5S+ 0 0 61 -4,-1.7 3,-1.4 3,-0.2 -2,-0.2 0.912 110.2 58.2 -69.9 -37.4 29.3 37.6 19.1 10 10 A R H 3<5S+ 0 0 75 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.860 106.8 45.5 -62.0 -40.7 27.8 40.1 21.5 11 11 A V T 3<5S- 0 0 0 -4,-2.4 253,-2.4 -5,-0.1 254,-0.5 0.368 113.3-123.4 -82.5 3.4 28.9 38.2 24.6 12 12 A Q T <>5 + 0 0 77 -3,-1.4 4,-1.0 252,-0.2 3,-0.4 0.804 57.3 152.3 64.7 33.9 32.3 37.7 23.0 13 13 A A H >< + 0 0 0 -5,-1.9 4,-2.1 1,-0.2 3,-0.5 0.866 65.4 62.4 -65.2 -35.2 32.3 34.0 23.1 14 14 A P H > S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.910 97.7 59.1 -59.4 -33.2 34.6 33.6 19.9 15 15 A A H > S+ 0 0 32 -3,-0.4 4,-0.7 1,-0.2 -2,-0.2 0.887 108.5 45.0 -61.0 -34.3 37.4 35.5 21.9 16 16 A A H ><>S+ 0 0 0 -4,-1.0 5,-2.1 -3,-0.5 3,-0.9 0.918 110.2 52.6 -73.7 -40.3 37.2 32.8 24.5 17 17 A H H ><5S+ 0 0 26 -4,-2.1 3,-1.7 1,-0.3 -2,-0.2 0.889 104.6 58.1 -67.7 -30.3 37.2 29.9 21.9 18 18 A N H 3<5S+ 0 0 144 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.753 102.1 54.5 -69.5 -21.9 40.3 31.6 20.4 19 19 A R T <<5S- 0 0 108 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.469 127.4-102.4 -82.9 0.9 41.9 31.1 23.8 20 20 A G T < 5S+ 0 0 49 -3,-1.7 2,-0.7 -4,-0.3 -3,-0.2 0.614 80.7 133.5 87.8 13.9 41.1 27.3 23.6 21 21 A L < + 0 0 16 -5,-2.1 -1,-0.3 1,-0.1 -2,-0.2 -0.879 9.5 143.6-108.5 112.5 38.1 27.6 26.0 22 22 A T S S- 0 0 29 -2,-0.7 63,-2.6 61,-0.1 64,-0.6 0.339 73.6 -91.8-125.6 -3.0 35.1 25.8 24.7 23 23 A G > + 0 0 0 1,-0.2 3,-2.3 62,-0.2 64,-0.4 0.496 63.7 170.0 97.5 0.9 33.3 24.2 27.8 24 24 A S T 3 + 0 0 66 1,-0.3 -1,-0.2 62,-0.2 62,-0.2 -0.226 67.2 9.7 -54.6 136.3 35.2 20.9 27.5 25 25 A G T 3 S+ 0 0 42 60,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.453 99.0 120.9 69.9 5.5 34.7 18.7 30.6 26 26 A V < - 0 0 2 -3,-2.3 61,-2.9 59,-0.2 2,-0.5 -0.873 54.8-144.6-102.6 124.8 31.9 20.9 32.0 27 27 A K E -a 87 0A 58 -2,-0.5 91,-2.2 89,-0.2 92,-1.7 -0.810 17.3-174.4 -89.9 126.3 28.5 19.3 32.4 28 28 A V E -ab 88 119A 0 59,-2.7 61,-2.6 -2,-0.5 2,-0.4 -0.986 9.7-157.4-125.6 124.0 25.4 21.5 31.7 29 29 A A E -ab 89 120A 0 90,-2.6 92,-2.9 -2,-0.5 2,-0.7 -0.847 4.9-154.1-102.9 131.9 21.9 20.3 32.4 30 30 A V E -ab 90 121A 1 59,-2.6 61,-2.1 -2,-0.4 2,-0.9 -0.935 6.3-161.9-109.0 106.4 19.1 22.1 30.4 31 31 A L E +ab 91 122A 0 90,-2.6 92,-0.6 -2,-0.7 2,-0.2 -0.822 52.4 91.8 -92.3 103.3 15.9 21.8 32.5 32 32 A D E S-a 92 0A 0 59,-1.7 61,-2.4 -2,-0.9 62,-1.8 -0.706 94.3 -39.0-163.1-149.9 13.3 22.5 29.9 33 33 A T S S- 0 0 1 1,-0.3 26,-0.7 -2,-0.2 27,-0.3 0.252 95.7 -92.3 -80.5 3.4 11.0 20.7 27.2 34 34 A G - 0 0 1 57,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.563 38.9 -90.8 114.8-172.8 13.7 18.2 26.3 35 35 A I - 0 0 0 21,-2.5 2,-0.3 -2,-0.2 55,-0.1 -0.978 32.4-141.0-139.7 120.4 16.4 18.3 23.6 36 36 A S - 0 0 14 -2,-0.4 21,-0.1 21,-0.3 -2,-0.0 -0.677 31.6 -99.3 -80.3 139.6 15.8 16.8 20.1 37 37 A T + 0 0 100 -2,-0.3 169,-0.3 2,-0.0 168,-0.3 -0.348 56.0 169.5 -47.9 132.9 18.5 14.9 18.3 38 38 A H > - 0 0 8 3,-0.4 3,-2.1 167,-0.1 5,-0.1 -0.992 46.0-118.5-152.7 144.5 20.0 17.5 15.8 39 39 A P T 3 S+ 0 0 70 0, 0.0 38,-0.1 0, 0.0 -2,-0.0 0.733 114.1 49.5 -61.7 -16.2 23.1 17.5 13.6 40 40 A D T 3 S+ 0 0 0 32,-0.1 33,-2.2 35,-0.0 2,-0.3 0.140 103.7 72.6-110.9 20.5 24.6 20.5 15.4 41 41 A L < - 0 0 15 -3,-2.1 2,-0.5 31,-0.2 -3,-0.4 -0.988 58.2-157.8-132.6 148.3 24.1 19.1 18.9 42 42 A N - 0 0 79 -2,-0.3 46,-0.7 29,-0.3 2,-0.5 -0.926 15.3-169.0-122.6 102.0 25.8 16.4 21.0 43 43 A I E -c 88 0A 45 -2,-0.5 46,-0.2 1,-0.1 3,-0.1 -0.817 5.8-170.3 -94.9 127.2 23.5 15.3 23.7 44 44 A R E - 0 0 111 44,-2.9 2,-0.3 -2,-0.5 45,-0.2 0.589 55.6 -61.6 -93.8 -12.7 25.2 13.0 26.3 45 45 A G E +c 89 0A 30 43,-0.6 45,-2.8 2,-0.0 2,-0.3 -0.976 55.6 170.1 156.5-168.6 22.3 11.8 28.3 46 46 A G E -c 90 0A 33 -2,-0.3 2,-0.3 43,-0.3 45,-0.2 -0.975 23.9-109.5 157.4-167.0 19.5 13.0 30.5 47 47 A A E -c 91 0A 18 43,-1.9 45,-2.6 -2,-0.3 2,-0.4 -0.970 15.2-135.6-156.8 152.2 16.2 12.1 32.3 48 48 A S E +c 92 0A 31 -2,-0.3 45,-0.2 43,-0.2 8,-0.1 -0.991 16.9 176.7-119.1 133.1 12.5 12.9 31.9 49 49 A F + 0 0 43 43,-2.9 44,-0.1 -2,-0.4 58,-0.1 0.033 54.5 104.0-114.0 17.8 10.4 13.8 34.9 50 50 A V > - 0 0 22 3,-0.4 3,-1.7 42,-0.2 44,-0.1 -0.902 65.2-146.7-101.7 116.4 7.2 14.4 32.8 51 51 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.866 94.3 44.4 -55.3 -46.3 4.8 11.4 33.2 52 52 A G T 3 S+ 0 0 73 1,-0.2 -2,-0.0 2,-0.1 43,-0.0 0.605 113.2 54.9 -76.2 -4.5 3.3 11.4 29.7 53 53 A E < + 0 0 46 -3,-1.7 -3,-0.4 1,-0.1 -1,-0.2 -0.671 54.2 169.8-131.3 80.4 6.6 11.8 28.0 54 54 A P + 0 0 122 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 0.632 60.1 82.7 -66.4 -15.4 9.2 9.2 29.0 55 55 A S S S- 0 0 57 1,-0.1 -5,-0.1 2,-0.1 -8,-0.1 -0.581 74.5-139.4 -85.1 158.1 11.7 10.4 26.2 56 56 A T + 0 0 34 -2,-0.2 -21,-2.5 -8,-0.1 -1,-0.1 0.451 67.3 119.2 -92.7 4.1 14.1 13.3 26.5 57 57 A Q S S- 0 0 71 -23,-0.2 2,-0.8 1,-0.1 -21,-0.3 -0.276 72.0-108.6 -71.0 151.5 13.3 14.3 22.9 58 58 A D + 0 0 10 1,-0.1 -24,-0.2 -24,-0.1 -1,-0.1 -0.742 34.3 175.2 -95.0 113.8 11.7 17.7 22.5 59 59 A G S S+ 0 0 53 -2,-0.8 -1,-0.1 -26,-0.7 -25,-0.1 0.395 83.5 41.6 -84.4 -0.3 8.0 18.0 21.5 60 60 A N S S- 0 0 58 -27,-0.3 -1,-0.1 37,-0.0 36,-0.1 0.775 90.8-129.7-114.2 -55.4 8.1 21.8 21.8 61 61 A G S > S+ 0 0 0 -28,-0.1 4,-2.2 -27,-0.1 5,-0.2 -0.120 83.3 95.6 124.3 -32.8 11.2 23.4 20.3 62 62 A H H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.918 83.8 46.0 -62.9 -47.3 12.1 25.5 23.3 63 63 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.877 112.7 51.8 -63.7 -33.1 14.6 23.2 25.0 64 64 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 138,-0.3 0.903 110.3 48.2 -68.9 -41.2 16.4 22.5 21.7 65 65 A H H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 137,-0.3 0.954 112.8 48.0 -65.8 -48.4 16.7 26.2 21.0 66 66 A V H >X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.2 3,-0.6 0.947 109.8 53.1 -50.3 -54.6 18.1 26.8 24.5 67 67 A A H 3X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.888 106.3 54.6 -52.6 -41.2 20.5 23.9 24.2 68 68 A G H 3X S+ 0 0 1 -4,-2.1 4,-2.0 134,-0.2 -1,-0.2 0.814 102.9 53.6 -67.5 -31.6 21.9 25.4 20.9 69 69 A T H << S+ 0 0 4 -4,-1.5 13,-2.9 -3,-0.6 -1,-0.2 0.887 116.2 41.8 -68.2 -36.9 22.7 28.8 22.4 70 70 A I H < S- 0 0 0 -4,-1.7 13,-3.3 11,-0.2 -2,-0.2 0.956 138.2 -0.3 -69.7 -51.1 24.8 27.0 25.1 71 71 A A H < + 0 0 3 -4,-3.1 -29,-0.3 11,-0.2 -3,-0.2 0.163 66.7 157.7-142.8 30.1 26.5 24.3 23.0 72 72 A A < - 0 0 0 -4,-2.0 9,-2.4 -5,-0.1 -31,-0.2 -0.304 56.5 -97.0 -60.2 138.4 25.8 24.3 19.3 73 73 A L - 0 0 44 -33,-2.2 2,-1.0 7,-0.2 4,-0.2 -0.294 23.0-125.1 -66.7 145.6 28.7 22.5 17.7 74 74 A N + 0 0 102 10,-0.2 2,-0.2 -3,-0.1 6,-0.1 -0.771 69.2 99.4 -92.8 103.2 31.6 24.3 16.2 75 75 A N S S- 0 0 57 -2,-1.0 -73,-0.1 2,-0.4 -35,-0.0 -0.584 88.7 -62.2-158.9-153.8 31.8 22.8 12.7 76 76 A S S S+ 0 0 96 -2,-0.2 2,-0.3 -75,-0.1 -2,-0.1 0.197 104.6 64.5-100.2 14.1 30.8 23.6 9.1 77 77 A I S S- 0 0 70 -4,-0.2 -2,-0.4 2,-0.2 -75,-0.2 -0.894 92.3 -15.7-135.1 161.7 27.0 23.7 9.7 78 78 A G S S- 0 0 11 -77,-0.4 -75,-3.3 -2,-0.3 2,-0.1 -0.145 93.3 -38.9 59.1-130.3 24.3 25.5 11.5 79 79 A V - 0 0 3 -77,-0.2 2,-0.3 -39,-0.1 -4,-0.3 -0.313 49.7-116.4-119.6-161.2 25.2 27.8 14.3 80 80 A L - 0 0 10 -77,-0.2 -7,-0.2 -2,-0.1 2,-0.1 -0.985 19.8-146.7-145.2 128.1 27.7 28.0 17.2 81 81 A G - 0 0 0 -9,-2.4 -11,-0.2 -2,-0.3 -10,-0.2 -0.404 31.0-104.6 -87.9-176.9 26.9 28.1 20.9 82 82 A V S S+ 0 0 0 -13,-2.9 -11,-0.2 1,-0.3 -12,-0.2 0.905 118.0 24.7 -69.6 -41.4 28.8 29.9 23.7 83 83 A A S > S+ 0 0 0 -13,-3.3 3,-2.0 -14,-0.2 -1,-0.3 -0.732 73.2 176.9-125.1 78.4 30.4 26.7 25.0 84 84 A P T 3 S+ 0 0 7 0, 0.0 -10,-0.2 0, 0.0 -61,-0.2 0.592 78.2 49.0 -69.5 -12.5 30.4 24.3 22.0 85 85 A S T 3 S+ 0 0 52 -63,-2.6 -60,-0.5 -12,-0.1 -62,-0.2 0.284 80.3 125.3-104.9 2.1 32.3 21.5 23.8 86 86 A A S < S- 0 0 5 -3,-2.0 2,-0.9 -64,-0.6 -59,-0.2 -0.286 70.5-111.5 -58.8 150.1 30.2 21.5 27.0 87 87 A E E -a 27 0A 44 -61,-2.9 -59,-2.7 -64,-0.4 2,-0.4 -0.751 38.1-149.2 -86.4 108.4 28.6 18.1 27.9 88 88 A L E -ac 28 43A 0 -2,-0.9 -44,-2.9 -46,-0.7 -43,-0.6 -0.715 14.4-169.7 -89.1 127.1 24.9 18.7 27.3 89 89 A Y E -ac 29 45A 37 -61,-2.6 -59,-2.6 -2,-0.4 2,-0.8 -0.957 15.7-142.6-117.6 128.8 22.2 16.8 29.4 90 90 A A E +ac 30 46A 0 -45,-2.8 -43,-1.9 -2,-0.4 2,-0.7 -0.811 20.5 178.8 -89.8 110.7 18.6 16.9 28.5 91 91 A V E -ac 31 47A 0 -61,-2.1 -59,-1.7 -2,-0.8 2,-0.7 -0.872 16.4-153.9-112.4 97.0 16.5 17.1 31.7 92 92 A K E +ac 32 48A 6 -45,-2.6 -43,-2.9 -2,-0.7 -42,-0.2 -0.630 36.0 147.4 -79.7 116.1 12.9 17.2 30.6 93 93 A V + 0 0 0 -61,-2.4 2,-0.3 -2,-0.7 12,-0.2 0.379 61.6 56.5-119.1 -11.0 10.8 19.0 33.3 94 94 A L S S- 0 0 13 -62,-1.8 6,-0.3 -3,-0.1 -44,-0.1 -0.953 80.9-121.9-125.3 148.8 8.3 20.6 31.0 95 95 A G > - 0 0 4 4,-3.1 3,-2.6 -2,-0.3 -2,-0.1 -0.216 38.3 -88.0 -82.6 177.3 5.9 19.0 28.5 96 96 A A T 3 S+ 0 0 38 1,-0.3 -1,-0.1 2,-0.1 -63,-0.1 0.787 127.6 59.7 -56.4 -28.9 5.5 19.5 24.7 97 97 A D T 3 S- 0 0 111 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.410 117.6-111.8 -77.1 0.6 3.0 22.2 25.6 98 98 A G S < S+ 0 0 34 -3,-2.6 2,-0.2 1,-0.3 -2,-0.1 0.318 80.9 123.7 82.3 -7.2 5.6 24.3 27.6 99 99 A R + 0 0 184 -5,-0.1 -4,-3.1 -66,-0.0 2,-0.3 -0.606 34.6 172.8 -86.2 144.6 3.7 23.5 30.8 100 100 A G - 0 0 40 -6,-0.3 2,-0.2 -2,-0.2 -6,-0.1 -0.983 29.4-121.0-156.2 142.9 5.4 21.8 33.8 101 101 A A >> - 0 0 53 -2,-0.3 4,-1.7 -8,-0.2 3,-0.5 -0.530 26.5-123.6 -76.5 146.2 4.6 20.9 37.5 102 102 A I H 3> S+ 0 0 57 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.864 112.9 59.3 -58.8 -36.8 6.8 22.3 40.3 103 103 A S H 3> S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.929 104.6 51.4 -57.6 -42.0 7.5 18.7 41.5 104 104 A S H <> S+ 0 0 11 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.925 111.8 44.8 -61.0 -45.6 8.9 17.9 38.0 105 105 A I H X S+ 0 0 9 -4,-1.7 4,-2.3 -12,-0.2 -2,-0.2 0.951 112.7 52.8 -65.5 -41.7 11.3 21.0 38.1 106 106 A A H X S+ 0 0 10 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.918 111.1 44.9 -64.6 -40.0 12.3 20.2 41.7 107 107 A Q H X S+ 0 0 112 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.866 108.8 58.4 -76.2 -24.0 13.3 16.5 40.8 108 108 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.935 108.6 45.5 -57.9 -49.1 15.1 17.8 37.7 109 109 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.896 111.6 50.5 -65.5 -38.8 17.2 19.9 40.2 110 110 A E H X S+ 0 0 68 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.925 109.3 52.0 -63.0 -39.1 17.8 17.0 42.5 111 111 A W H X S+ 0 0 40 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.897 108.0 53.6 -61.7 -42.2 18.9 14.8 39.5 112 112 A A H <>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 3,-0.3 0.950 112.6 41.1 -58.9 -47.3 21.3 17.6 38.5 113 113 A G H ><5S+ 0 0 10 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.870 115.5 51.6 -71.2 -33.7 23.0 17.7 41.9 114 114 A N H 3<5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.723 111.4 47.9 -71.6 -25.1 22.9 13.9 42.2 115 115 A N T 3<5S- 0 0 71 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.184 114.3-111.0-104.6 14.6 24.6 13.5 38.8 116 116 A G T < 5 + 0 0 40 -3,-0.8 -89,-0.2 1,-0.2 -3,-0.2 0.810 51.7 171.1 68.2 34.7 27.4 16.0 39.3 117 117 A M < - 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