==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 02-SEP-98 1GCI . COMPND 2 MOLECULE: SUBTILISIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LENTUS; . AUTHOR R.BOTT,P.KUHN . 269 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.2 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 . 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 . 20 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.3 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 . 2 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 . 4 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 0 120 0, 0.0 77,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 145.9 -1.9 -26.8 -31.4 2 2 A Q B -a 78 0A 52 75,-0.2 2,-0.3 73,-0.2 77,-0.2 -0.889 360.0-161.9-103.6 141.3 -1.7 -27.8 -27.8 3 3 A S - 0 0 58 75,-2.6 74,-0.0 -2,-0.4 0, 0.0 -0.824 16.4-131.6-118.1 159.1 -0.5 -31.2 -26.6 4 4 A V - 0 0 60 -2,-0.3 5,-0.1 75,-0.2 75,-0.1 -0.935 26.4-128.5-109.4 108.9 -1.1 -32.9 -23.3 5 5 A P >> - 0 0 11 0, 0.0 4,-1.5 0, 0.0 3,-1.1 -0.235 24.7-113.6 -57.0 148.5 2.2 -34.3 -21.8 6 6 A W H 3> S+ 0 0 69 1,-0.3 4,-2.5 192,-0.2 5,-0.1 0.831 114.2 55.5 -56.7 -36.4 1.9 -37.9 -20.8 7 7 A G H 3> S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.832 101.8 56.6 -68.0 -31.5 2.3 -37.2 -17.1 8 8 A I H <4>S+ 0 0 2 -3,-1.1 5,-1.9 2,-0.2 -1,-0.2 0.913 112.9 41.6 -62.9 -44.1 -0.6 -34.7 -17.1 9 9 A S H ><5S+ 0 0 61 -4,-1.5 3,-1.5 3,-0.2 -2,-0.2 0.892 109.8 59.1 -67.3 -38.8 -2.9 -37.4 -18.4 10 10 A R H 3<5S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.864 106.2 47.1 -60.8 -38.6 -1.3 -40.0 -16.1 11 11 A V T 3<5S- 0 0 0 -4,-2.0 253,-3.0 -5,-0.1 254,-0.5 0.435 114.4-122.3 -83.0 0.6 -2.3 -38.0 -13.0 12 12 A Q T <>5 + 0 0 78 -3,-1.5 4,-1.0 252,-0.2 3,-0.5 0.761 59.3 150.2 68.3 31.4 -5.8 -37.6 -14.5 13 13 A A H >>< + 0 0 0 -5,-1.9 4,-2.4 1,-0.2 3,-0.6 0.875 64.1 63.8 -61.1 -38.6 -5.8 -33.8 -14.6 14 14 A P H 3> S+ 0 0 37 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.877 97.8 55.8 -58.0 -35.0 -8.1 -33.6 -17.7 15 15 A A H 3> S+ 0 0 33 -3,-0.5 4,-0.7 1,-0.2 -2,-0.2 0.868 108.9 47.5 -63.1 -38.2 -10.9 -35.3 -15.7 16 16 A A H X<>S+ 0 0 0 -4,-1.0 5,-2.3 -3,-0.6 3,-1.1 0.928 109.5 53.0 -64.6 -44.6 -10.6 -32.5 -13.1 17 17 A H H ><5S+ 0 0 26 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.898 103.4 57.9 -57.5 -38.3 -10.6 -29.9 -15.8 18 18 A N H 3<5S+ 0 0 147 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.721 103.3 53.7 -67.8 -21.5 -13.8 -31.4 -17.3 19 19 A R T <<5S- 0 0 104 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.214 128.1 -98.2 -90.5 10.8 -15.5 -30.8 -13.9 20 20 A G T < 5S+ 0 0 47 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.625 81.4 135.6 85.1 14.8 -14.5 -27.1 -14.0 21 21 A L < + 0 0 13 -5,-2.3 -1,-0.2 1,-0.1 -2,-0.2 -0.884 5.6 140.7-107.6 120.0 -11.5 -27.5 -11.7 22 22 A T S S- 0 0 29 -2,-0.6 63,-2.7 61,-0.1 64,-0.6 0.353 74.8 -94.8-133.4 -6.0 -8.4 -25.6 -13.0 23 23 A G > + 0 0 0 1,-0.2 3,-2.1 203,-0.2 64,-0.5 0.489 64.5 166.7 88.3 5.7 -6.7 -24.2 -9.8 24 24 A S T 3 + 0 0 64 1,-0.3 -1,-0.2 62,-0.2 62,-0.2 -0.251 66.6 17.7 -53.2 137.4 -8.5 -20.8 -10.3 25 25 A G T 3 S+ 0 0 44 60,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.463 99.1 116.0 79.3 3.7 -8.2 -18.7 -7.1 26 26 A V < - 0 0 2 -3,-2.1 61,-3.0 59,-0.2 2,-0.6 -0.918 57.7-142.8-112.6 128.7 -5.3 -20.8 -5.7 27 27 A K E -b 87 0B 53 -2,-0.5 91,-2.3 89,-0.3 92,-1.8 -0.794 19.2-175.9 -95.2 122.9 -1.8 -19.2 -5.3 28 28 A V E -bc 88 119B 0 59,-2.9 61,-2.4 -2,-0.6 2,-0.4 -0.977 9.6-156.5-123.9 118.7 1.1 -21.5 -6.1 29 29 A A E -bc 89 120B 0 90,-2.7 92,-3.1 -2,-0.5 2,-0.7 -0.813 5.1-151.8 -94.9 135.0 4.7 -20.3 -5.5 30 30 A V E -bc 90 121B 0 59,-2.9 61,-2.4 -2,-0.4 2,-0.9 -0.924 7.7-162.9-106.2 105.3 7.5 -22.0 -7.5 31 31 A L E +bc 91 122B 0 90,-2.6 92,-0.5 -2,-0.7 2,-0.2 -0.828 52.5 91.7 -92.6 101.8 10.7 -21.8 -5.3 32 32 A D E S-b 92 0B 0 59,-1.8 61,-2.4 -2,-0.9 62,-2.0 -0.684 94.3 -40.4-163.3-152.1 13.3 -22.4 -8.0 33 33 A T S S- 0 0 0 1,-0.3 26,-0.7 -2,-0.2 27,-0.3 0.291 96.1 -89.6 -82.8 10.2 15.6 -20.7 -10.5 34 34 A G - 0 0 0 57,-0.3 2,-0.3 -4,-0.2 -1,-0.3 -0.593 39.4 -94.9 108.8-177.2 12.9 -18.2 -11.5 35 35 A I - 0 0 0 21,-2.5 2,-0.3 -2,-0.2 55,-0.1 -0.962 32.4-140.1-140.2 124.6 10.2 -18.4 -14.2 36 36 A S - 0 0 13 -2,-0.3 21,-0.1 21,-0.3 -2,-0.0 -0.646 30.4 -97.3 -86.2 144.1 10.7 -16.8 -17.6 37 38 A T + 0 0 101 -2,-0.3 169,-0.3 2,-0.1 168,-0.2 -0.295 56.9 165.8 -49.2 133.6 8.0 -14.9 -19.5 38 39 A H > - 0 0 8 3,-0.4 3,-2.2 167,-0.1 5,-0.1 -0.976 47.8-121.9-159.6 139.8 6.5 -17.4 -21.9 39 40 A P T 3 S+ 0 0 75 0, 0.0 38,-0.1 0, 0.0 -2,-0.1 0.635 113.7 53.5 -69.9 -9.1 3.3 -17.4 -24.0 40 41 A D T 3 S+ 0 0 0 32,-0.0 33,-2.5 35,-0.0 2,-0.3 0.206 103.9 68.2-105.1 17.9 2.1 -20.6 -22.3 41 42 A L < - 0 0 15 -3,-2.2 2,-0.5 31,-0.2 -3,-0.4 -0.979 59.2-157.1-133.1 148.8 2.5 -19.2 -18.7 42 43 A N - 0 0 87 -2,-0.3 46,-0.8 29,-0.3 2,-0.6 -0.937 16.7-167.4-121.1 101.9 0.7 -16.5 -16.7 43 44 A I E -d 88 0B 44 -2,-0.5 46,-0.2 1,-0.1 3,-0.1 -0.835 6.6-173.8 -96.5 118.1 3.1 -15.2 -14.0 44 45 A R E - 0 0 132 44,-2.9 2,-0.3 -2,-0.6 45,-0.2 0.651 55.4 -59.0 -87.9 -16.3 1.3 -13.1 -11.4 45 46 A G E +d 89 0B 30 43,-0.8 45,-2.6 11,-0.0 2,-0.3 -0.973 56.4 161.9 164.0-162.7 4.2 -11.9 -9.3 46 47 A G E -d 90 0B 30 -2,-0.3 2,-0.3 43,-0.3 45,-0.2 -0.958 25.8-114.1 145.7-167.2 7.0 -13.1 -7.2 47 48 A A E -d 91 0B 21 43,-1.8 45,-2.3 -2,-0.3 2,-0.4 -0.964 15.5-125.2-162.7 156.7 10.3 -12.1 -5.6 48 49 A S E +d 92 0B 30 -2,-0.3 45,-0.2 6,-0.3 8,-0.1 -0.965 19.6 174.8-117.7 133.8 14.0 -12.9 -5.8 49 50 A F + 0 0 49 43,-3.1 44,-0.1 -2,-0.4 58,-0.1 0.118 54.2 104.8-114.4 13.8 16.2 -14.0 -2.9 50 51 A V S > S- 0 0 19 3,-0.4 3,-2.2 42,-0.3 44,-0.1 -0.877 75.5-125.4 -97.4 112.9 19.4 -14.7 -5.0 51 52 A P T 3 S+ 0 0 126 0, 0.0 -2,-0.1 0, 0.0 53,-0.0 -0.293 94.7 18.2 -58.3 138.3 21.9 -11.8 -4.6 52 53 A G T 3 S+ 0 0 80 1,-0.0 3,-0.1 43,-0.0 43,-0.0 0.375 110.5 81.1 82.6 -7.4 22.9 -10.3 -7.9 53 54 A E < + 0 0 51 -3,-2.2 -3,-0.4 1,-0.1 39,-0.1 -0.648 49.3 161.0-123.5 70.1 19.8 -11.8 -9.7 54 55 A P + 0 0 116 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 0.725 51.9 83.3 -69.2 -20.2 17.2 -9.2 -8.7 55 56 A S S S- 0 0 61 -3,-0.1 -8,-0.1 1,-0.1 0, 0.0 -0.507 74.3-140.9 -78.8 153.8 14.9 -10.3 -11.6 56 57 A T + 0 0 32 -2,-0.2 -21,-2.5 -22,-0.1 -1,-0.1 0.431 65.6 118.2 -90.8 1.8 12.5 -13.3 -11.2 57 59 A Q S S- 0 0 70 -23,-0.2 2,-0.7 1,-0.1 -21,-0.3 -0.265 72.9-106.8 -63.7 157.6 13.2 -14.4 -14.8 58 60 A D + 0 0 11 -24,-0.2 -24,-0.2 1,-0.1 -1,-0.1 -0.791 34.0 176.7-101.2 111.1 14.8 -17.8 -15.2 59 61 A G S S+ 0 0 55 -26,-0.7 -1,-0.1 -2,-0.7 -25,-0.1 0.374 83.8 40.8 -85.8 0.3 18.5 -18.0 -16.2 60 62 A N S S- 0 0 59 -27,-0.3 -1,-0.1 38,-0.0 36,-0.1 0.773 92.4-129.4-110.6 -56.5 18.6 -21.8 -16.0 61 63 A G S > S+ 0 0 0 -28,-0.1 4,-2.0 -27,-0.1 5,-0.2 -0.077 82.4 96.4 123.3 -31.9 15.4 -23.3 -17.4 62 64 A H H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.923 84.3 46.8 -60.1 -48.6 14.5 -25.6 -14.4 63 65 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.869 111.5 51.0 -65.9 -35.3 12.0 -23.2 -12.7 64 66 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 138,-0.3 0.886 111.5 49.0 -65.6 -39.1 10.2 -22.4 -16.0 65 67 A H H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 137,-0.3 0.954 112.3 47.0 -65.2 -50.5 9.9 -26.2 -16.7 66 68 A V H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 3,-0.4 0.931 110.2 54.5 -54.9 -46.7 8.5 -26.9 -13.2 67 69 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.884 105.2 52.8 -58.4 -40.3 6.1 -24.0 -13.5 68 70 A G H X S+ 0 0 1 -4,-1.8 4,-2.1 134,-0.2 -1,-0.2 0.806 103.3 56.2 -70.1 -27.3 4.6 -25.3 -16.7 69 71 A T H < S+ 0 0 4 -4,-1.5 13,-2.5 -3,-0.4 14,-0.2 0.904 116.0 39.3 -67.1 -38.2 3.9 -28.7 -15.2 70 72 A I H < S+ 0 0 0 -4,-1.7 13,-3.3 11,-0.2 -2,-0.2 0.932 139.6 1.1 -67.0 -49.2 1.9 -26.9 -12.6 71 73 A A H < + 0 0 3 -4,-2.7 -29,-0.3 10,-0.2 -3,-0.2 0.175 65.8 157.1-145.5 23.4 0.2 -24.3 -14.7 72 74 A A < - 0 0 0 -4,-2.1 9,-2.7 -5,-0.1 -31,-0.2 -0.296 57.7 -98.5 -57.8 138.5 0.9 -24.2 -18.5 73 75 A L - 0 0 44 -33,-2.5 2,-0.9 7,-0.2 4,-0.2 -0.208 23.0-123.1 -70.2 147.0 -2.1 -22.4 -19.9 74 76 A N + 0 0 96 10,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.785 69.9 102.9 -91.4 102.2 -5.1 -24.2 -21.4 75 77 A N S S- 0 0 56 -2,-0.9 -73,-0.2 2,-0.4 -35,-0.0 -0.608 87.4 -65.7-155.9-155.2 -5.2 -22.7 -24.9 76 78 A S S S+ 0 0 97 -2,-0.2 2,-0.3 -75,-0.1 -2,-0.1 0.221 104.2 62.0-103.4 17.4 -4.3 -23.6 -28.5 77 79 A I S S- 0 0 67 2,-0.2 -2,-0.4 -4,-0.2 -75,-0.2 -0.903 92.8 -12.2-134.2 161.4 -0.5 -23.7 -28.1 78 80 A G B S-a 2 0A 13 -77,-0.5 -75,-2.6 -2,-0.3 2,-0.1 -0.242 93.9 -37.0 66.2-133.6 2.2 -25.5 -26.2 79 81 A V - 0 0 3 -77,-0.2 -4,-0.3 -39,-0.1 2,-0.3 -0.308 52.6-114.9-119.8-162.0 1.4 -27.9 -23.4 80 82 A L - 0 0 10 -2,-0.1 -7,-0.2 -6,-0.1 2,-0.1 -0.973 19.8-139.2-149.1 128.6 -1.1 -28.0 -20.5 81 83 A G - 0 0 0 -9,-2.7 -11,-0.2 -2,-0.3 -10,-0.2 -0.371 25.9-114.9 -83.1 169.1 -0.5 -27.9 -16.7 82 84 A V S S+ 0 0 0 -13,-2.5 -11,-0.2 1,-0.3 -12,-0.2 0.899 119.0 24.6 -62.8 -41.1 -2.2 -29.9 -14.0 83 85 A A S > S+ 0 0 0 -13,-3.3 3,-2.2 -14,-0.2 -1,-0.3 -0.726 75.8 176.3-125.7 74.4 -3.8 -26.6 -12.7 84 86 A P T 3 S+ 0 0 5 0, 0.0 -10,-0.2 0, 0.0 -61,-0.2 0.630 79.4 47.1 -65.7 -15.0 -3.8 -24.3 -15.8 85 87 A S T 3 S+ 0 0 58 -63,-2.7 -60,-0.4 -12,-0.1 -59,-0.2 0.261 80.4 131.5-106.3 10.5 -5.6 -21.5 -13.9 86 88 A A < - 0 0 9 -3,-2.2 2,-0.8 -64,-0.6 -59,-0.2 -0.304 67.8-114.0 -57.9 147.9 -3.4 -21.5 -10.8 87 89 A E E -b 27 0B 39 -61,-3.0 -59,-2.9 -64,-0.5 2,-0.4 -0.781 41.8-150.2 -85.4 105.7 -2.1 -18.1 -9.8 88 90 A L E -bd 28 43B 1 -2,-0.8 -44,-2.9 -46,-0.8 -43,-0.8 -0.707 16.5-170.0 -96.4 130.9 1.6 -18.6 -10.4 89 91 A Y E -bd 29 45B 28 -61,-2.4 -59,-2.9 -2,-0.4 2,-0.8 -0.964 17.2-141.1-124.0 131.9 4.4 -16.8 -8.5 90 92 A A E +bd 30 46B 0 -45,-2.6 -43,-1.8 -2,-0.4 2,-0.7 -0.799 21.3 179.8 -92.2 106.7 8.1 -16.9 -9.4 91 93 A V E -bd 31 47B 0 -61,-2.4 -59,-1.8 -2,-0.8 2,-0.8 -0.881 15.9-153.8-113.6 95.1 10.1 -17.1 -6.1 92 94 A K E +bd 32 48B 6 -45,-2.3 -43,-3.1 -2,-0.7 -42,-0.3 -0.630 38.1 144.3 -78.3 112.6 13.7 -17.2 -7.2 93 95 A V + 0 0 0 -61,-2.4 8,-0.6 -2,-0.8 2,-0.4 0.430 63.5 56.1-120.8 -10.9 15.8 -19.0 -4.5 94 96 A L B S-K 100 0C 10 -62,-2.0 6,-0.3 6,-0.2 -44,-0.1 -0.952 80.2-132.2-121.4 142.0 18.3 -20.7 -6.9 95 97 A G > - 0 0 4 4,-3.1 3,-2.6 -2,-0.4 -2,-0.1 -0.158 41.0 -78.2 -85.9-171.5 20.5 -18.8 -9.3 96 98 A A T 3 S+ 0 0 38 1,-0.3 -63,-0.1 2,-0.1 -1,-0.1 0.753 128.2 60.9 -60.8 -26.8 21.2 -19.5 -13.0 97 99 A S T 3 S- 0 0 95 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.570 119.4-107.7 -73.6 -12.3 23.6 -22.2 -12.1 98 100 A G S < S+ 0 0 33 -3,-2.6 2,-0.3 1,-0.3 -2,-0.1 0.338 85.5 94.8 96.6 2.3 20.8 -24.2 -10.4 99 101 A S + 0 0 76 -66,-0.1 -4,-3.1 25,-0.0 -1,-0.3 -0.790 34.9 155.6-127.6 160.7 21.9 -23.6 -6.8 100 102 A G B -K 94 0C 46 -2,-0.3 2,-0.3 -6,-0.3 -6,-0.2 -0.446 39.8 -85.8-146.3-139.8 21.2 -21.3 -3.9 101 103 A S > - 0 0 55 -8,-0.6 4,-2.5 -2,-0.2 5,-0.2 -0.952 30.8-108.2-137.7 165.8 21.6 -21.4 -0.1 102 104 A V H > S+ 0 0 61 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.878 121.7 55.2 -60.1 -33.8 19.5 -22.6 2.8 103 105 A S H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 107.4 46.3 -67.3 -44.0 19.0 -18.9 3.6 104 106 A S H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.907 114.5 48.1 -65.6 -39.4 17.7 -18.0 0.1 105 107 A I H X S+ 0 0 18 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.931 112.0 49.8 -63.3 -44.7 15.3 -21.0 0.2 106 108 A A H X S+ 0 0 12 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.903 108.5 53.0 -59.5 -42.2 14.2 -20.0 3.7 107 109 A Q H X S+ 0 0 100 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.884 108.5 50.3 -62.6 -37.5 13.6 -16.5 2.6 108 110 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.891 110.3 49.7 -66.2 -38.0 11.4 -17.8 -0.3 109 111 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.905 111.3 48.3 -65.8 -42.4 9.4 -19.9 2.2 110 112 A E H X S+ 0 0 58 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.902 109.8 53.3 -64.0 -39.9 8.9 -17.0 4.5 111 113 A W H X S+ 0 0 40 -4,-2.3 4,-1.0 -5,-0.2 3,-0.5 0.939 106.9 52.4 -57.5 -44.7 7.8 -14.9 1.5 112 114 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-0.8 0.930 111.2 46.1 -58.0 -44.6 5.2 -17.6 0.6 113 115 A G H 3<5S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.703 115.2 46.8 -72.3 -21.5 3.8 -17.5 4.1 114 116 A N H 3<5S+ 0 0 104 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.480 111.9 51.2 -93.9 -3.7 3.7 -13.7 4.2 115 117 A N T <<5S- 0 0 77 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.1 0.135 114.6-100.6-126.4 17.0 2.1 -13.3 0.7 116 118 A G T 5 + 0 0 46 1,-0.2 -89,-0.3 -4,-0.2 -3,-0.2 0.694 57.8 167.2 81.8 18.2 -0.9 -15.6 0.9 117 119 A M < - 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