==== 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 HYDROLASE 03-OCT-05 2B6N . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA SP.; . AUTHOR R.HELLAND,A.N.LARSEN,A.O.SMALAS,N.P.WILLASSEN . 281 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 21.7 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 0 0 1 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 2 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 . 2 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 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 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 88 0, 0.0 25,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.6 15.8 -17.0 29.8 2 2 A D E -A 25 0A 95 23,-0.2 23,-0.2 25,-0.0 21,-0.0 -0.991 360.0-157.0-134.7 123.3 12.8 -15.6 31.5 3 3 A Q E -A 24 0A 34 21,-2.4 21,-2.4 -2,-0.4 2,-0.2 -0.898 15.3-148.7-100.0 115.7 12.5 -12.0 32.7 4 4 A P E S+A 23 0A 94 0, 0.0 19,-0.2 0, 0.0 18,-0.1 -0.517 73.9 13.6 -82.3 155.4 10.0 -11.5 35.5 5 5 A S S S+ 0 0 86 17,-1.9 18,-0.1 -2,-0.2 3,-0.1 0.860 83.4 175.1 49.3 49.1 8.0 -8.2 35.9 6 6 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 -0.330 41.5 -89.1 -74.3 161.6 8.9 -6.8 32.4 7 7 A T > - 0 0 24 77,-0.3 4,-1.8 200,-0.1 5,-0.1 -0.332 49.3-103.3 -61.9 158.3 7.4 -3.6 31.1 8 8 A W H > S+ 0 0 34 1,-0.2 4,-2.1 197,-0.2 5,-0.1 0.814 111.9 59.8 -63.8 -38.2 4.1 -4.3 29.3 9 9 A G H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.954 112.7 36.3 -56.0 -58.7 5.3 -3.9 25.7 10 10 A I H > S+ 0 0 1 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.843 113.0 61.0 -65.9 -33.2 7.9 -6.7 25.8 11 11 A D H < S+ 0 0 6 -4,-1.8 3,-0.3 1,-0.2 10,-0.3 0.884 105.9 49.5 -54.5 -40.4 5.5 -8.7 28.1 12 12 A R H >< S+ 0 0 0 -4,-2.1 3,-1.1 -3,-0.3 -1,-0.2 0.843 100.4 61.2 -69.3 -36.0 3.0 -8.7 25.2 13 13 A I H 3< S+ 0 0 2 -4,-1.2 263,-1.8 1,-0.3 264,-0.4 0.733 96.0 58.1 -75.3 -23.1 5.2 -9.9 22.4 14 14 A D T 3< S+ 0 0 14 -4,-0.8 2,-0.3 -3,-0.3 -1,-0.3 0.249 104.7 56.0 -91.1 14.8 6.2 -13.3 23.7 15 15 A Q < - 0 0 22 -3,-1.1 243,-0.1 1,-0.1 261,-0.1 -0.980 67.0-142.5-144.3 154.6 2.5 -14.6 24.1 16 16 A R S S+ 0 0 98 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.908 81.0 37.1 -81.7 -45.5 -0.5 -15.0 21.8 17 17 A N S S- 0 0 95 2,-0.1 -1,-0.1 1,-0.0 244,-0.0 -0.795 82.3 -89.6-116.1 148.3 -3.4 -14.1 24.1 18 18 A L S S+ 0 0 59 -2,-0.3 2,-0.1 2,-0.1 166,-0.0 -0.458 77.6 81.5 -72.8 159.7 -4.1 -11.6 26.9 19 19 A P S S- 0 0 112 0, 0.0 -2,-0.1 0, 0.0 165,-0.1 0.512 81.8-115.2 -78.6 162.2 -3.9 -11.3 29.9 20 20 A L - 0 0 56 163,-0.2 -8,-0.1 -2,-0.1 -2,-0.1 -0.382 19.1-151.9 -58.3 136.4 -0.2 -10.3 30.3 21 21 A D - 0 0 91 -10,-0.3 -16,-0.1 2,-0.3 -1,-0.1 0.291 32.8-117.2 -98.4 9.2 1.7 -13.0 32.3 22 22 A N S S+ 0 0 86 1,-0.2 -17,-1.9 -18,-0.1 2,-0.3 0.856 81.0 106.9 61.9 33.6 4.3 -10.7 33.8 23 23 A N E -A 4 0A 35 -19,-0.2 2,-0.5 -12,-0.2 -2,-0.3 -0.992 52.4-163.0-146.4 134.8 7.1 -12.6 32.0 24 24 A Y E -A 3 0A 1 -21,-2.4 -21,-2.4 -2,-0.3 2,-0.3 -0.928 19.2-164.0-119.0 103.6 9.3 -11.9 29.0 25 25 A H E -A 2 0A 46 -2,-0.5 2,-0.4 -23,-0.2 -23,-0.2 -0.680 5.6-171.5 -86.7 140.7 10.9 -15.2 27.6 26 26 A T + 0 0 16 -25,-2.4 3,-0.1 -2,-0.3 251,-0.1 -0.995 25.5 173.1-131.3 140.2 13.9 -15.1 25.3 27 27 A D S S+ 0 0 91 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.455 84.3 25.5-108.1 -17.4 15.5 -17.9 23.3 28 28 A Y - 0 0 90 -27,-0.1 61,-0.3 1,-0.0 -1,-0.2 -0.865 59.0-162.6-138.5 170.7 17.8 -15.5 21.5 29 29 A D - 0 0 52 -2,-0.3 61,-3.0 59,-0.2 62,-0.4 0.263 54.3 -92.4-145.0 9.4 19.2 -12.0 22.4 30 30 A G > + 0 0 0 206,-0.2 3,-2.0 1,-0.2 62,-0.4 0.608 61.4 170.4 85.8 10.5 20.4 -10.4 19.2 31 31 A S T 3 + 0 0 41 1,-0.3 -1,-0.2 60,-0.2 60,-0.1 -0.292 68.9 16.3 -52.4 134.7 24.1 -11.6 19.6 32 32 A G T 3 S+ 0 0 57 58,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.480 106.3 108.2 77.6 6.3 26.1 -10.9 16.4 33 33 A V < - 0 0 0 -3,-2.0 59,-2.4 57,-0.2 2,-0.5 -0.857 56.4-148.2-115.0 147.2 23.5 -8.4 15.1 34 34 A T E -bc 92 125B 25 90,-2.0 92,-2.6 -2,-0.3 2,-0.6 -0.970 4.9-158.5-118.4 130.5 23.8 -4.6 14.9 35 35 A A E -bc 93 126B 0 57,-3.1 59,-2.5 -2,-0.5 2,-0.6 -0.945 7.9-152.8-110.1 118.5 20.7 -2.3 15.3 36 36 A F E -bc 94 127B 10 90,-3.2 92,-3.1 -2,-0.6 2,-0.8 -0.800 5.4-155.5 -92.5 120.7 21.1 1.2 13.8 37 37 A V E -bc 95 128B 0 57,-2.9 59,-2.7 -2,-0.6 2,-0.9 -0.849 5.1-166.7-104.4 102.3 19.0 3.7 15.5 38 38 A I E +bc 96 129B 0 90,-2.4 92,-0.5 -2,-0.8 2,-0.2 -0.810 52.5 84.7 -92.4 104.9 18.2 6.6 13.1 39 39 A D E S-b 97 0B 0 57,-2.0 59,-2.7 -2,-0.9 60,-1.7 -0.678 96.6 -33.3-171.1-150.7 16.9 9.2 15.5 40 40 A T S S- 0 0 0 1,-0.3 29,-0.7 57,-0.2 30,-0.2 0.380 96.7 -92.3 -83.0 4.3 17.8 12.0 18.0 41 41 A G - 0 0 0 55,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.517 42.4 -95.6 106.9 179.9 21.0 10.1 19.0 42 42 A V - 0 0 0 24,-2.5 2,-1.5 -2,-0.2 3,-0.1 -1.000 17.5-124.8-138.7 135.2 21.6 7.7 21.9 43 43 A L > - 0 0 22 -2,-0.4 3,-1.8 24,-0.2 24,-0.1 -0.667 31.9-169.6 -73.6 93.6 22.9 8.1 25.4 44 44 A N T 3 S+ 0 0 35 -2,-1.5 9,-0.4 1,-0.3 7,-0.4 0.788 78.0 58.6 -60.8 -29.3 25.6 5.5 24.9 45 45 A T T 3 S+ 0 0 90 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.448 74.8 130.1 -82.7 -1.8 26.6 5.5 28.6 46 46 A H X> - 0 0 5 -3,-1.8 3,-1.8 1,-0.1 4,-0.7 -0.256 67.4-125.9 -57.1 138.6 23.0 4.5 29.8 47 47 A N G >4 S+ 0 0 104 167,-3.1 3,-0.5 1,-0.3 -1,-0.1 0.800 105.2 71.2 -55.5 -31.7 23.1 1.5 32.2 48 48 A E G 34 S+ 0 0 11 166,-0.3 35,-2.1 1,-0.2 -1,-0.3 0.752 98.6 46.6 -52.0 -31.0 20.6 -0.2 29.8 49 49 A F G X4 S- 0 0 0 -3,-1.8 3,-2.5 33,-0.2 -1,-0.2 0.694 83.1-155.0 -95.8 -21.2 23.2 -0.8 27.1 50 50 A G T << S- 0 0 67 -4,-0.7 -3,-0.1 -3,-0.5 -5,-0.1 0.847 77.1 -45.3 50.5 41.2 26.1 -2.1 29.2 51 51 A G T 3 S+ 0 0 71 -7,-0.4 -1,-0.3 -5,-0.4 -4,-0.1 0.302 116.8 108.8 90.1 -11.9 28.7 -1.0 26.7 52 52 A R < + 0 0 38 -3,-2.5 41,-2.8 29,-0.1 2,-0.5 0.541 60.8 82.9 -79.4 -6.6 26.8 -2.2 23.6 53 53 A A E +d 93 0B 9 -9,-0.4 2,-0.3 39,-0.2 41,-0.2 -0.853 52.1 158.0-102.8 135.3 25.9 1.3 22.4 54 54 A S E -d 94 0B 62 39,-2.3 41,-2.6 -2,-0.5 2,-0.3 -0.932 41.3 -91.4-144.2 166.8 28.2 3.4 20.4 55 55 A S E +d 95 0B 36 -2,-0.3 41,-0.1 39,-0.2 3,-0.1 -0.631 28.5 178.6 -84.4 137.9 28.0 6.4 18.0 56 56 A G E - 0 0 5 39,-3.2 2,-0.3 -2,-0.3 40,-0.2 0.837 64.4 -39.6 -93.5 -72.1 27.7 5.9 14.2 57 57 A Y E -d 96 0B 27 38,-1.2 40,-2.3 9,-0.1 2,-0.6 -0.975 42.7-136.3-157.8 150.2 27.5 9.5 12.9 58 58 A D E >> +dE 97 63B 1 5,-3.2 5,-1.5 -2,-0.3 4,-1.3 -0.922 17.1 178.9-112.0 103.7 25.9 12.8 13.8 59 59 A F T 45S+ 0 0 59 38,-2.7 39,-0.2 -2,-0.6 -1,-0.1 0.502 81.1 58.8 -82.4 -4.4 24.3 14.5 10.8 60 60 A I T 45S+ 0 0 62 37,-0.5 -1,-0.2 39,-0.1 38,-0.1 0.926 122.4 21.4 -81.2 -52.9 23.0 17.4 12.9 61 60BA D T 45S- 0 0 96 2,-0.1 -2,-0.2 4,-0.1 3,-0.1 0.563 103.8-124.9 -89.6 -11.2 26.5 18.4 14.2 62 60CA N T <5S+ 0 0 115 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.960 73.7 91.7 59.7 56.3 28.5 16.8 11.4 63 60DA D B S+ 0 0 0 -31,-0.1 4,-2.1 140,-0.1 3,-0.4 -0.217 81.2 98.2 114.4 -40.4 15.6 11.5 24.9 72 69 A H H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 85.2 45.3 -49.6 -52.0 13.6 10.0 22.0 73 70 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.844 111.6 52.1 -65.8 -35.6 16.5 8.0 20.5 74 71 A T H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 135,-0.4 0.862 111.6 47.4 -63.8 -38.0 17.6 6.7 23.8 75 72 A H H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 134,-0.3 0.948 113.9 46.8 -69.6 -47.2 14.1 5.5 24.6 76 73 A V H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.938 112.9 49.9 -60.4 -46.6 13.8 3.9 21.1 77 74 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.879 107.5 53.5 -61.5 -40.1 17.2 2.3 21.5 78 75 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.867 105.3 54.4 -65.4 -34.2 16.4 0.8 25.0 79 76 A T H < S+ 0 0 1 -4,-1.8 8,-2.1 -3,-0.2 -1,-0.2 0.891 113.4 42.9 -66.0 -36.3 13.2 -0.8 23.6 80 77 A I H < S- 0 0 1 -4,-1.6 8,-2.9 6,-0.2 -2,-0.2 0.957 140.1 -2.9 -68.8 -49.0 15.4 -2.6 20.9 81 78 A G H < S+ 0 0 0 -4,-2.7 -3,-0.2 6,-0.2 -2,-0.2 0.290 82.9 134.6-139.9 9.1 18.3 -3.6 23.1 82 79 A G X - 0 0 0 -4,-2.3 4,-1.4 -5,-0.3 -33,-0.2 -0.361 56.3-127.1 -65.0 145.2 18.1 -2.5 26.8 83 80 A S T 4 S+ 0 0 54 -35,-2.1 -1,-0.1 2,-0.2 6,-0.1 0.921 107.9 18.2 -54.9 -47.9 19.0 -5.0 29.5 84 81 A T T 4 S+ 0 0 57 1,-0.1 -77,-0.3 -78,-0.0 -1,-0.1 0.887 137.9 31.7 -91.6 -48.1 15.7 -4.3 31.3 85 82 A Y T 4 S+ 0 0 52 -79,-0.1 2,-0.2 -75,-0.0 -2,-0.2 0.450 99.8 101.5 -95.9 -1.6 13.4 -2.6 28.7 86 83 A G < - 0 0 0 -4,-1.4 3,-0.2 -38,-0.1 -6,-0.2 -0.538 59.0-149.6-102.1 153.9 14.7 -4.3 25.6 87 84 A V S S+ 0 0 1 -8,-2.1 2,-0.7 1,-0.2 -6,-0.2 0.886 98.9 38.0 -73.5 -45.2 13.6 -7.1 23.2 88 85 A A S > S- 0 0 0 -8,-2.9 3,-1.7 -9,-0.2 -1,-0.2 -0.838 72.7-171.6-119.7 90.0 17.2 -8.2 22.1 89 86 A K T 3 S+ 0 0 43 -2,-0.7 -59,-0.2 1,-0.3 -1,-0.1 0.445 80.3 38.2 -75.8 -2.7 19.3 -7.9 25.3 90 87 A N T 3 S+ 0 0 71 -61,-3.0 -58,-0.3 2,-0.1 -1,-0.3 0.177 84.3 127.2-127.9 17.0 22.7 -8.5 23.7 91 88 A V < - 0 0 0 -3,-1.7 2,-0.4 -62,-0.4 -57,-0.2 -0.367 63.0-114.9 -69.9 149.9 22.3 -6.6 20.4 92 89 A N E -b 34 0B 66 -59,-2.4 -57,-3.1 -62,-0.4 2,-0.5 -0.738 30.5-151.6 -81.2 139.2 24.9 -4.0 19.3 93 90 A V E -bd 35 53B 1 -41,-2.8 -39,-2.3 -2,-0.4 2,-0.5 -0.962 12.4-173.1-119.0 127.6 23.4 -0.5 19.2 94 91 A V E -bd 36 54B 17 -59,-2.5 -57,-2.9 -2,-0.5 2,-0.4 -0.976 16.8-140.7-123.9 119.2 24.7 2.2 16.8 95 92 A G E -bd 37 55B 0 -41,-2.6 -39,-3.2 -2,-0.5 -38,-1.2 -0.631 15.9-176.1 -80.0 127.4 23.3 5.8 17.0 96 93 A V E -bd 38 57B 0 -59,-2.7 -57,-2.0 -2,-0.4 2,-0.7 -0.940 18.4-151.8-120.8 101.4 22.8 7.6 13.8 97 94 A R E +bd 39 58B 9 -40,-2.3 -38,-2.7 -2,-0.5 -37,-0.5 -0.679 39.7 142.9 -87.2 113.1 21.7 11.1 14.7 98 95 A V + 0 0 1 -59,-2.7 2,-0.4 -2,-0.7 8,-0.2 0.347 58.1 70.6-123.8 -0.8 19.5 12.8 12.2 99 96 A L S S- 0 0 14 -60,-1.7 6,-0.2 6,-0.1 -39,-0.1 -0.960 76.1-129.2-124.6 139.6 17.1 14.7 14.5 100 97 A N > - 0 0 46 4,-3.6 3,-1.8 -2,-0.4 -2,-0.1 0.065 40.0 -80.1 -80.6-173.1 18.1 17.7 16.6 101 98 A a T 3 S+ 0 0 69 1,-0.3 -1,-0.1 2,-0.1 -61,-0.0 0.758 133.4 48.5 -61.7 -23.5 17.6 18.4 20.4 102 99 A S T 3 S- 0 0 93 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.404 122.9-106.4 -95.9 -0.8 14.0 19.4 19.7 103 100 A G S < S+ 0 0 32 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.584 80.8 121.9 89.5 13.1 13.4 16.2 17.7 104 101 A S + 0 0 54 -64,-0.1 -4,-3.6 -5,-0.0 -1,-0.3 -0.705 29.6 159.7-108.7 158.1 13.3 17.9 14.3 105 102 A G - 0 0 40 -2,-0.2 2,-0.2 -6,-0.2 -6,-0.1 -0.977 35.6 -97.6-166.0 170.7 15.5 17.4 11.1 106 103 A S > - 0 0 69 -2,-0.3 4,-2.1 -8,-0.2 5,-0.2 -0.626 29.6-120.0 -96.8 156.1 15.7 18.0 7.4 107 104 A N H > S+ 0 0 101 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.891 115.6 56.4 -57.9 -41.5 14.8 15.4 4.7 108 105 A S H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 107.7 46.8 -54.7 -46.6 18.4 15.8 3.4 109 106 A G H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 110.9 51.0 -69.7 -38.3 19.9 14.8 6.9 110 107 A V H X S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.928 111.6 48.1 -63.6 -45.5 17.5 11.8 7.3 111 108 A I H X S+ 0 0 34 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.898 107.8 55.6 -60.1 -42.9 18.6 10.6 3.8 112 109 A A H X S+ 0 0 31 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.914 109.1 47.9 -53.6 -44.7 22.2 11.1 4.8 113 110 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.881 110.5 50.3 -65.1 -41.8 21.7 8.8 7.8 114 111 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.954 113.2 46.2 -59.2 -49.9 19.9 6.1 5.7 115 112 A N H X S+ 0 0 51 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.891 107.7 58.0 -61.6 -40.3 22.8 6.2 3.3 116 113 A W H X S+ 0 0 45 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.922 107.7 46.3 -56.3 -47.9 25.3 6.1 6.1 117 114 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 3,-0.3 0.937 111.9 51.8 -58.5 -49.5 23.8 2.8 7.4 118 115 A K H < S+ 0 0 66 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.901 116.3 40.5 -50.7 -46.1 23.8 1.4 3.9 119 116 A N H < S+ 0 0 119 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.709 124.9 34.6 -80.3 -20.3 27.4 2.2 3.4 120 117 A N H < S+ 0 0 81 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.2 0.605 81.9 111.7-115.7 -17.6 28.6 1.2 6.9 121 118 A A < - 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