==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 21-MAY-98 1BFK . COMPND 2 MOLECULE: SUBTILISIN CARLSBERG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR J.L.SCHMITKE,L.J.STERN,A.M.KLIBANOV . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.4 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 . 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 . 22 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 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 3 0 0 1 0 0 2 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 A 0 0 123 0, 0.0 2,-0.5 0, 0.0 78,-0.4 0.000 360.0 360.0 360.0 173.7 15.1 3.3 28.2 2 2 A Q - 0 0 47 76,-0.2 2,-0.3 74,-0.2 78,-0.2 -0.823 360.0-149.7 -99.2 127.9 15.8 5.1 24.9 3 3 A T - 0 0 70 76,-3.4 78,-0.1 -2,-0.5 75,-0.1 -0.675 3.9-146.6 -93.4 146.4 15.5 3.1 21.7 4 4 A V - 0 0 73 -2,-0.3 76,-0.1 76,-0.2 78,-0.1 -0.924 19.7-133.7-114.9 102.9 17.6 3.9 18.6 5 5 A P > - 0 0 16 0, 0.0 3,-1.6 0, 0.0 199,-0.1 -0.293 20.5-118.8 -55.7 141.4 15.7 3.3 15.4 6 6 A Y T 3> S+ 0 0 64 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.759 106.4 75.7 -51.7 -26.6 17.8 1.4 12.9 7 7 A G H 3> S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.841 88.5 54.1 -57.2 -39.0 17.4 4.4 10.6 8 8 A I H <4>S+ 0 0 5 -3,-1.6 5,-2.8 2,-0.2 6,-0.7 0.916 111.8 41.2 -68.7 -43.2 19.9 6.6 12.4 9 9 A P H >45S+ 0 0 51 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.928 110.3 60.0 -70.1 -37.8 22.9 4.2 12.3 10 10 A L H 3<5S+ 0 0 41 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.861 111.8 39.1 -53.7 -39.7 22.1 3.2 8.7 11 11 A I T 3<5S- 0 0 0 -4,-1.5 258,-2.5 -5,-0.2 259,-0.3 0.270 114.9-116.7 -95.7 11.1 22.5 6.8 7.6 12 12 A K T <>5 + 0 0 70 -3,-2.0 4,-0.8 256,-0.2 -2,-0.1 0.848 68.9 141.3 58.6 37.4 25.5 7.3 9.9 13 13 A A H >< + 0 0 0 -5,-2.8 4,-2.0 1,-0.2 5,-0.1 0.715 68.5 58.6 -78.5 -21.4 23.7 10.0 11.9 14 14 A D H > S+ 0 0 60 -6,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.832 97.3 56.5 -76.5 -36.8 25.3 8.6 15.0 15 15 A K H > S+ 0 0 82 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.864 114.2 41.3 -63.9 -36.0 28.9 9.0 13.9 16 16 A V H >X>S+ 0 0 0 -4,-0.8 5,-1.3 2,-0.2 4,-0.8 0.944 113.6 50.1 -76.1 -51.0 28.2 12.7 13.4 17 17 A Q H ><5S+ 0 0 18 -4,-2.0 3,-1.8 1,-0.3 -2,-0.2 0.926 109.6 54.7 -51.2 -44.3 26.2 13.1 16.6 18 18 A A H 3<5S+ 0 0 85 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.847 99.1 60.1 -58.0 -36.6 29.1 11.4 18.3 19 19 A Q H <<5S- 0 0 99 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.680 128.4-100.4 -66.7 -16.0 31.4 14.0 16.9 20 20 A G T <<5S+ 0 0 50 -3,-1.8 2,-0.7 -4,-0.8 -3,-0.2 0.229 86.5 119.9 117.2 -13.2 29.3 16.5 18.8 21 21 A F < + 0 0 60 -5,-1.3 -1,-0.2 1,-0.1 -2,-0.2 -0.762 20.4 158.3 -92.0 113.1 27.0 18.0 16.1 22 22 A K - 0 0 83 -2,-0.7 64,-2.2 213,-0.1 65,-0.5 0.210 67.7 -91.9-117.7 14.7 23.3 17.4 16.8 23 23 A G > + 0 0 0 209,-0.3 3,-1.4 1,-0.2 65,-0.4 0.690 63.2 171.8 84.5 19.5 21.7 20.1 14.7 24 24 A A T 3 + 0 0 48 1,-0.2 -1,-0.2 63,-0.2 63,-0.2 -0.351 65.3 17.4 -64.2 140.6 21.6 22.8 17.4 25 25 A N T 3 S+ 0 0 152 61,-0.6 2,-0.4 1,-0.3 -1,-0.2 0.250 95.0 123.1 81.6 -12.5 20.6 26.3 16.3 26 26 A V < - 0 0 8 -3,-1.4 62,-3.7 60,-0.1 2,-0.7 -0.691 57.3-141.2 -84.6 131.0 19.2 24.9 13.1 27 27 A K E -a 88 0A 77 -2,-0.4 92,-2.4 90,-0.2 93,-1.7 -0.834 20.6-175.7 -97.4 113.9 15.5 25.7 12.5 28 28 A V E -ab 89 120A 0 60,-2.5 62,-1.9 -2,-0.7 2,-0.5 -0.944 7.3-162.5-113.6 120.6 13.5 22.8 11.0 29 29 A A E -ab 90 121A 0 91,-2.5 93,-2.4 -2,-0.5 2,-0.7 -0.879 5.0-155.5-103.8 127.8 9.9 23.3 10.1 30 30 A V E -ab 91 122A 1 60,-3.1 62,-2.2 -2,-0.5 2,-0.9 -0.900 4.6-155.2-105.3 109.7 7.8 20.2 9.5 31 31 A L E +ab 92 123A 0 91,-2.5 93,-0.5 -2,-0.7 2,-0.2 -0.747 51.9 97.9 -84.6 107.6 4.8 20.9 7.2 32 32 A D E S-a 93 0A 1 60,-1.7 62,-2.7 -2,-0.9 63,-1.5 -0.726 88.7 -44.5-160.1-152.6 2.3 18.3 8.3 33 33 A T S S- 0 0 1 1,-0.3 27,-0.5 60,-0.2 28,-0.3 0.134 92.6 -95.8 -84.4 21.1 -0.8 17.4 10.3 34 34 A G - 0 0 1 58,-0.2 2,-0.3 -4,-0.2 -1,-0.3 -0.340 42.1 -93.2 91.7-178.7 0.7 19.2 13.3 35 35 A I - 0 0 1 21,-1.7 2,-2.2 23,-0.2 3,-0.1 -0.998 22.2-116.5-140.0 141.4 2.6 17.7 16.2 36 36 A Q > - 0 0 17 -2,-0.3 3,-2.1 22,-0.2 22,-0.2 -0.581 38.3-174.1 -74.2 84.4 1.6 16.5 19.7 37 37 A A T 3 S+ 0 0 31 -2,-2.2 7,-0.4 20,-0.8 -1,-0.2 0.778 76.6 62.4 -54.0 -31.2 3.7 19.3 21.2 38 38 A S T 3 S+ 0 0 93 19,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.270 74.6 128.8 -80.9 13.2 3.1 17.9 24.7 39 39 A H X - 0 0 4 -3,-2.1 3,-1.7 1,-0.1 168,-0.0 -0.552 61.5-136.4 -72.1 130.8 4.9 14.7 23.7 40 40 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 0.787 102.4 47.1 -56.4 -32.9 7.6 13.8 26.3 41 41 A D T 3 S+ 0 0 0 32,-0.0 33,-3.3 35,-0.0 2,-0.3 0.346 105.7 73.6 -94.3 8.0 10.2 13.0 23.7 42 42 A L < - 0 0 9 -3,-1.7 2,-0.2 31,-0.2 31,-0.1 -0.859 54.8-164.8-122.3 156.8 9.6 16.1 21.6 43 43 A N - 0 0 95 29,-0.3 46,-0.7 -2,-0.3 2,-0.5 -0.664 11.3-178.3-141.5 80.1 10.4 19.7 21.9 44 44 A V E -c 89 0A 24 -7,-0.4 46,-0.2 -2,-0.2 3,-0.1 -0.713 7.5-170.1 -81.9 123.8 8.4 21.9 19.5 45 45 A V E - 0 0 74 44,-2.2 2,-0.3 -2,-0.5 45,-0.2 0.416 58.5 -53.0 -95.5 1.9 9.4 25.6 19.9 46 46 A G E + 0 0 10 43,-0.4 45,-2.4 10,-0.1 2,-0.3 -0.972 57.9 153.8 156.6-170.8 6.6 27.1 17.8 47 47 A G E -c 91 0A 20 -2,-0.3 2,-0.3 43,-0.3 45,-0.2 -0.971 32.8-101.4 147.9-160.7 4.9 27.0 14.5 48 48 A A E -c 92 0A 19 43,-1.7 45,-1.5 -2,-0.3 2,-0.4 -0.991 13.6-131.4-160.1 156.8 1.5 27.8 12.9 49 49 A S E +c 93 0A 36 -2,-0.3 45,-0.2 43,-0.2 7,-0.1 -0.951 15.5 177.9-117.9 134.2 -1.7 26.2 11.7 50 50 A F + 0 0 73 43,-2.4 2,-0.5 -2,-0.4 44,-0.1 0.029 58.5 100.2-118.1 23.1 -3.3 27.0 8.4 51 51 A V S > S- 0 0 27 3,-0.4 3,-1.9 44,-0.1 44,-0.1 -0.956 83.5-111.3-111.0 117.9 -6.1 24.4 8.9 52 52 A A T 3 S+ 0 0 103 -2,-0.5 -2,-0.1 1,-0.3 3,-0.1 -0.191 95.9 5.9 -51.4 130.5 -9.3 26.0 10.1 53 53 A G T 3 S+ 0 0 88 1,-0.1 2,-0.4 -4,-0.1 -1,-0.3 0.594 106.6 103.1 74.1 11.6 -10.2 25.1 13.7 54 54 A E < - 0 0 46 -3,-1.9 -3,-0.4 39,-0.1 2,-0.2 -0.992 62.0-137.0-131.9 134.3 -7.0 23.3 14.5 55 55 A A > - 0 0 49 -2,-0.4 3,-0.9 1,-0.1 -5,-0.1 -0.567 19.7-127.3 -84.2 149.4 -4.0 24.4 16.6 56 57 A Y T 3 S+ 0 0 68 1,-0.3 -21,-1.7 -2,-0.2 -8,-0.1 0.781 102.8 65.0 -67.1 -26.9 -0.5 23.6 15.3 57 58 A N T 3 S+ 0 0 65 -23,-0.2 -20,-0.8 -21,-0.1 -19,-0.4 0.017 92.3 71.2 -89.1 28.9 0.5 22.0 18.6 58 59 A T < - 0 0 70 -3,-0.9 2,-0.5 -22,-0.2 -22,-0.2 -0.996 60.6-158.1-142.6 141.7 -1.9 19.1 18.4 59 60 A D + 0 0 13 -2,-0.3 -25,-0.1 -25,-0.2 -23,-0.1 -0.917 15.7 171.4-125.1 103.5 -1.9 16.0 16.1 60 61 A G S S+ 0 0 59 -2,-0.5 -1,-0.1 -27,-0.5 -26,-0.1 0.410 84.0 45.2 -89.3 2.6 -5.2 14.3 15.6 61 62 A N S S- 0 0 53 -28,-0.3 -1,-0.1 -27,-0.0 -27,-0.1 0.794 90.2-138.4-109.6 -48.5 -3.6 12.1 12.9 62 63 A G S > S+ 0 0 0 -29,-0.2 4,-1.7 -28,-0.1 5,-0.1 0.095 77.0 100.3 108.2 -20.8 -0.3 10.9 14.2 63 64 A H H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.949 81.6 44.4 -61.9 -56.8 1.5 11.4 10.9 64 65 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.807 112.6 53.2 -62.0 -31.4 3.2 14.7 11.7 65 66 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 142,-0.3 0.877 109.5 48.3 -70.3 -39.5 4.3 13.6 15.1 66 67 A H H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 141,-0.4 0.932 113.5 46.6 -64.7 -48.8 5.9 10.4 13.7 67 68 A V H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 3,-0.4 0.918 112.6 50.3 -59.9 -46.5 7.8 12.4 11.1 68 69 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.4 0.905 105.3 57.3 -60.4 -41.6 8.9 15.0 13.6 69 70 A G H X S+ 0 0 0 -4,-2.2 4,-1.4 138,-0.3 -1,-0.2 0.828 103.3 53.8 -59.2 -32.5 10.1 12.2 15.9 70 71 A T H < S+ 0 0 10 -4,-1.4 13,-1.9 -3,-0.4 -1,-0.2 0.855 113.6 43.1 -70.6 -33.9 12.4 11.0 13.1 71 72 A V H < S- 0 0 0 -4,-1.3 13,-3.1 -3,-0.4 -2,-0.2 0.966 137.5 -0.7 -75.8 -57.5 13.9 14.5 12.8 72 73 A A H < + 0 0 5 -4,-2.7 -29,-0.3 10,-0.2 2,-0.2 -0.214 67.5 162.8-135.2 49.8 14.4 15.6 16.4 73 74 A A < - 0 0 0 -4,-1.4 9,-2.1 1,-0.1 -31,-0.2 -0.537 56.5 -98.0 -64.9 130.3 13.2 13.0 18.9 74 75 A L - 0 0 46 -33,-3.3 2,-1.2 -2,-0.2 4,-0.2 -0.164 25.7-124.5 -56.2 140.0 15.0 14.2 22.1 75 76 A D + 0 0 81 10,-0.4 2,-0.2 6,-0.1 -1,-0.1 -0.743 69.1 103.9 -87.8 97.8 18.2 12.5 23.1 76 77 A N S S- 0 0 55 -2,-1.2 -74,-0.2 2,-0.4 -35,-0.0 -0.498 87.3 -67.9-145.2-145.8 17.5 11.4 26.6 77 78 A T S S+ 0 0 121 -2,-0.2 2,-0.3 -76,-0.1 -2,-0.1 0.153 105.0 59.1-107.7 17.7 16.6 8.2 28.5 78 79 A T S S- 0 0 60 -4,-0.2 -2,-0.4 2,-0.2 -76,-0.2 -0.936 92.3 -1.5-142.8 163.4 13.2 7.6 27.0 79 80 A G S S- 0 0 9 -78,-0.4 -76,-3.4 -2,-0.3 2,-0.2 -0.335 95.2 -41.1 65.7-133.3 11.4 7.1 23.7 80 81 A V - 0 0 1 -78,-0.2 2,-0.4 -2,-0.1 -4,-0.3 -0.457 54.3-105.1-119.2-166.7 13.5 7.1 20.5 81 82 A L - 0 0 11 -2,-0.2 -7,-0.2 -6,-0.1 -73,-0.1 -0.992 24.8-143.7-132.4 129.5 16.3 9.1 19.0 82 83 A G - 0 0 0 -9,-2.1 -11,-0.2 -2,-0.4 -10,-0.2 -0.315 23.9-116.8 -85.0 170.6 16.1 11.7 16.2 83 84 A V S S+ 0 0 0 -13,-1.9 -11,-0.2 1,-0.3 -12,-0.2 0.918 115.0 18.7 -72.1 -44.2 18.6 12.4 13.5 84 85 A A S > S+ 0 0 0 -13,-3.1 3,-2.0 -14,-0.1 -1,-0.3 -0.714 75.8 178.3-127.0 77.3 19.2 15.9 14.7 85 86 A P T 3 S+ 0 0 8 0, 0.0 -10,-0.4 0, 0.0 -62,-0.1 0.478 78.8 51.7 -60.3 -4.8 18.0 15.8 18.4 86 87 A S T 3 S+ 0 0 61 -64,-2.2 -61,-0.6 -12,-0.1 -63,-0.2 0.368 80.4 125.0-113.9 2.5 19.0 19.4 19.1 87 88 A V S < S- 0 0 10 -3,-2.0 2,-1.1 -65,-0.5 -60,-0.2 -0.247 71.7-109.2 -63.3 148.2 17.3 21.0 16.1 88 89 A S E -a 27 0A 36 -62,-3.7 -60,-2.5 -65,-0.4 2,-0.2 -0.708 42.0-147.8 -82.7 101.8 14.9 23.8 16.6 89 90 A L E -ac 28 44A 1 -2,-1.1 -44,-2.2 -46,-0.7 -43,-0.4 -0.494 19.2-177.5 -78.3 137.9 11.5 22.2 15.8 90 91 A Y E -a 29 0A 39 -62,-1.9 -60,-3.1 -2,-0.2 2,-0.5 -0.998 14.2-149.2-136.2 128.8 8.6 24.0 14.3 91 92 A A E -ac 30 47A 0 -45,-2.4 -43,-1.7 -2,-0.4 2,-0.5 -0.874 13.3-178.6-102.6 125.9 5.2 22.5 13.5 92 93 A V E -ac 31 48A 0 -62,-2.2 -60,-1.7 -2,-0.5 2,-0.5 -0.887 16.9-150.8-125.1 96.2 3.3 23.9 10.6 93 94 A K E +ac 32 49A 0 -45,-1.5 -43,-2.4 -2,-0.5 -60,-0.2 -0.553 36.2 149.9 -70.3 118.9 -0.1 22.2 10.2 94 95 A V + 0 0 2 -62,-2.7 2,-0.3 -2,-0.5 8,-0.3 0.276 63.6 57.8-128.3 0.9 -1.0 22.3 6.6 95 96 A L S S- 0 0 13 -63,-1.5 6,-0.2 6,-0.1 2,-0.1 -0.940 77.2-132.2-131.0 151.6 -3.0 19.0 6.8 96 97 A N > - 0 0 50 4,-2.6 3,-3.3 -2,-0.3 4,-0.2 -0.395 44.4 -77.2 -98.3 178.0 -6.0 18.1 9.0 97 98 A S T 3 S+ 0 0 56 1,-0.3 -64,-0.1 2,-0.1 -1,-0.0 0.669 130.3 56.2 -48.0 -21.9 -6.7 15.1 11.1 98 99 A S T 3 S- 0 0 97 2,-0.2 -1,-0.3 -37,-0.0 3,-0.1 0.327 119.0-108.4 -95.4 7.2 -7.6 13.1 8.0 99 100 A G S < S+ 0 0 37 -3,-3.3 2,-0.3 1,-0.3 -2,-0.1 0.652 80.2 123.8 76.7 15.5 -4.3 13.8 6.4 100 101 A S + 0 0 61 -4,-0.2 -4,-2.6 -67,-0.0 2,-0.3 -0.854 29.7 163.0-114.2 148.5 -5.8 16.2 3.8 101 102 A G - 0 0 45 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.1 -0.968 30.8-113.1-153.2 165.4 -5.0 19.8 3.0 102 103 A S > - 0 0 68 -2,-0.3 4,-2.4 -8,-0.3 5,-0.2 -0.693 29.6-114.2-103.5 157.4 -5.5 22.4 0.3 103 104 A Y H > S+ 0 0 99 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.847 116.5 52.9 -56.6 -38.5 -2.9 24.0 -1.9 104 105 A S H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 109.6 48.4 -65.4 -42.7 -3.4 27.4 -0.3 105 106 A G H > S+ 0 0 6 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.918 114.8 45.4 -63.5 -43.2 -2.9 26.0 3.2 106 107 A I H X S+ 0 0 14 -4,-2.4 4,-2.0 2,-0.2 3,-0.4 0.930 113.6 46.4 -67.8 -47.9 0.3 24.2 2.1 107 108 A V H X S+ 0 0 14 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.887 108.7 57.9 -62.1 -36.6 1.9 27.1 0.2 108 109 A S H X S+ 0 0 38 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.3 0.846 106.6 49.3 -60.1 -33.3 1.0 29.3 3.2 109 110 A G H X S+ 0 0 0 -4,-1.1 4,-2.0 -3,-0.4 -1,-0.2 0.897 109.8 50.1 -71.9 -39.9 3.1 26.9 5.2 110 111 A I H X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.794 113.0 47.7 -67.8 -28.3 5.9 27.1 2.7 111 112 A E H X S+ 0 0 106 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.857 110.4 49.3 -80.4 -38.8 5.7 30.9 2.9 112 113 A W H X S+ 0 0 51 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.873 110.6 53.4 -66.5 -38.4 5.6 31.2 6.7 113 114 A A H <>S+ 0 0 0 -4,-2.0 5,-2.0 2,-0.2 -2,-0.2 0.979 114.0 38.5 -61.5 -57.9 8.6 28.9 6.9 114 115 A T H ><5S+ 0 0 17 -4,-1.5 3,-1.5 1,-0.2 -2,-0.2 0.929 116.9 51.9 -58.9 -47.0 10.8 30.9 4.5 115 116 A T H 3<5S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.848 109.7 50.1 -58.4 -37.2 9.6 34.2 5.9 116 117 A N T 3<5S- 0 0 73 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.279 121.0-101.8 -90.2 12.2 10.3 33.1 9.5 117 118 A G T < 5 + 0 0 34 -3,-1.5 -90,-0.2 1,-0.2 2,-0.2 0.825 54.5 171.3 77.4 34.9 13.9 32.0 8.8 118 119 A M < - 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