==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JUL-99 1C3L . COMPND 2 MOLECULE: SUBTILISIN-CARLSBERG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR T.PRANGE,M.SCHILTZ,L.PERNOT,N.COLLOC'H,S.LONGHI . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.1 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 . 1 0.4 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 . 2 0.7 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 7.7 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 . 63 23.0 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 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 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 . 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 0 108 0, 0.0 2,-0.6 0, 0.0 78,-0.3 0.000 360.0 360.0 360.0 -33.1 13.7 3.2 28.9 2 2 A Q - 0 0 46 76,-0.2 2,-0.3 74,-0.1 78,-0.2 -0.835 360.0-149.7 -99.4 128.7 14.8 5.1 25.9 3 3 A T - 0 0 66 76,-3.7 78,-0.4 -2,-0.6 75,-0.1 -0.709 2.1-150.4 -93.7 143.8 14.4 3.4 22.5 4 4 A V - 0 0 80 -2,-0.3 76,-0.1 76,-0.2 78,-0.1 -0.940 18.6-136.6-113.6 105.3 16.7 4.0 19.5 5 5 A P > - 0 0 18 0, 0.0 3,-1.7 0, 0.0 199,-0.1 -0.303 24.0-113.6 -60.2 144.6 14.9 3.4 16.2 6 6 A Y T 3> S+ 0 0 63 1,-0.3 4,-1.9 2,-0.2 198,-0.1 0.753 109.7 69.0 -53.4 -29.2 17.0 1.5 13.7 7 7 A G H 3> S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 6,-0.3 0.736 86.4 66.1 -64.9 -26.2 17.2 4.5 11.4 8 8 A I H <4>S+ 0 0 2 -3,-1.7 5,-2.4 1,-0.2 6,-0.6 0.978 112.1 30.9 -63.2 -58.6 19.5 6.5 13.7 9 9 A P H >45S+ 0 0 52 0, 0.0 3,-1.4 0, 0.0 -2,-0.2 0.897 111.1 67.8 -70.0 -31.8 22.5 4.2 13.4 10 10 A L H 3<5S+ 0 0 45 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.905 110.9 34.0 -53.1 -38.8 21.6 3.2 9.9 11 11 A I T 3<5S- 0 0 0 -4,-1.5 258,-2.9 -3,-0.3 259,-0.5 0.452 118.0-116.5 -95.7 0.4 22.4 6.7 8.7 12 12 A K T X>5 + 0 0 64 -3,-1.4 4,-1.0 -4,-0.4 3,-0.6 0.663 68.9 141.6 71.0 30.2 25.1 6.9 11.3 13 13 A A H 3>< + 0 0 0 -5,-2.4 4,-2.0 -6,-0.3 5,-0.2 0.779 65.5 65.2 -67.3 -28.5 23.5 9.8 13.2 14 14 A D H 3> S+ 0 0 65 -6,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.838 97.6 54.3 -64.0 -33.4 24.6 8.2 16.5 15 15 A K H <> S+ 0 0 94 -3,-0.6 4,-0.9 2,-0.2 -1,-0.2 0.849 110.2 44.5 -72.0 -34.7 28.3 8.7 15.6 16 16 A V H ><>S+ 0 0 0 -4,-1.0 5,-2.0 2,-0.2 3,-0.5 0.902 113.3 51.3 -74.4 -35.2 27.9 12.5 15.0 17 17 A Q H ><5S+ 0 0 12 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.862 104.4 58.6 -64.1 -36.6 25.8 12.7 18.1 18 18 A A H 3<5S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.768 99.8 57.1 -62.5 -31.8 28.6 10.9 19.9 19 19 A Q T <<5S- 0 0 94 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.489 128.2 -98.6 -76.6 -12.9 31.0 13.7 18.9 20 20 A G T < 5S+ 0 0 54 -3,-1.2 2,-0.7 -4,-0.3 -3,-0.2 0.589 85.2 126.1 103.1 9.7 28.8 16.2 20.6 21 21 A F < + 0 0 62 -5,-2.0 -1,-0.3 1,-0.1 -2,-0.2 -0.900 15.0 147.9-103.4 116.8 26.8 17.5 17.6 22 22 A K S S- 0 0 51 -2,-0.7 64,-3.0 62,-0.1 65,-0.4 0.165 72.5 -88.1-136.2 22.7 23.1 17.2 18.2 23 23 A G > + 0 0 0 208,-0.2 3,-1.8 1,-0.2 65,-0.4 0.599 60.4 176.1 82.4 18.2 21.6 20.1 16.3 24 24 A A T 3 + 0 0 62 1,-0.3 -1,-0.2 63,-0.2 63,-0.2 -0.272 69.2 5.4 -58.2 129.8 21.8 22.8 19.0 25 25 A N T 3 S+ 0 0 126 61,-0.8 2,-0.5 1,-0.3 -1,-0.3 0.572 97.4 125.4 74.6 8.8 20.6 26.2 17.9 26 26 A V < - 0 0 9 -3,-1.8 62,-3.0 60,-0.2 2,-0.7 -0.841 55.0-139.3 -98.8 131.8 19.6 25.0 14.5 27 27 A K E -a 88 0A 47 -2,-0.5 92,-2.3 90,-0.2 93,-2.0 -0.799 20.6-177.1-102.2 120.4 16.0 25.8 13.6 28 28 A V E -ab 89 120A 0 60,-2.4 62,-2.3 -2,-0.7 2,-0.6 -0.926 12.2-154.3-114.7 128.9 13.9 23.2 11.8 29 29 A A E -ab 90 121A 0 91,-2.6 93,-2.4 -2,-0.5 2,-0.8 -0.891 3.4-156.4-104.2 126.7 10.3 23.7 10.6 30 30 A V E -ab 91 122A 0 60,-2.8 62,-2.1 -2,-0.6 2,-0.9 -0.878 8.1-161.1-101.7 103.7 8.1 20.7 10.2 31 31 A L E +ab 92 123A 0 91,-1.9 93,-0.6 -2,-0.8 62,-0.2 -0.765 48.5 94.0 -86.3 105.5 5.4 21.6 7.7 32 32 A D E S-a 93 0A 0 60,-2.1 63,-2.0 -2,-0.9 62,-1.8 -0.696 91.5 -40.2-161.4-148.0 2.7 19.1 8.3 33 33 A T S S- 0 0 0 1,-0.3 27,-0.4 -2,-0.2 28,-0.4 0.246 95.2 -98.8 -84.3 14.9 -0.5 18.2 10.2 34 34 A G - 0 0 0 58,-0.3 -1,-0.3 -4,-0.2 2,-0.3 -0.497 38.8 -89.2 99.1-168.4 0.9 19.9 13.3 35 35 A I - 0 0 0 21,-1.4 2,-1.9 23,-0.5 3,-0.1 -0.995 21.3-121.9-144.5 136.6 2.6 18.6 16.4 36 36 A Q > - 0 0 13 -2,-0.3 3,-2.4 1,-0.2 22,-0.2 -0.595 33.6-172.0 -75.9 86.4 1.3 17.4 19.8 37 37 A A T 3 S+ 0 0 30 -2,-1.9 7,-0.3 20,-1.0 -1,-0.2 0.771 76.1 63.8 -56.7 -25.7 3.4 20.0 21.6 38 38 A S T 3 S+ 0 0 91 19,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.583 70.7 122.9 -77.6 -5.5 2.5 18.5 25.0 39 39 A H X - 0 0 3 -3,-2.4 3,-1.5 1,-0.2 168,-0.0 -0.323 64.7-136.4 -56.6 131.2 4.2 15.2 24.2 40 40 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 38,-0.1 0.766 101.2 54.5 -62.0 -26.5 6.8 14.6 26.9 41 41 A D T 3 S+ 0 0 0 32,-0.1 33,-2.3 35,-0.0 2,-0.4 0.231 104.4 67.1 -92.5 14.1 9.5 13.5 24.4 42 42 A L < - 0 0 10 -3,-1.5 2,-0.4 31,-0.2 31,-0.1 -0.976 57.2-162.7-135.9 150.5 9.2 16.6 22.3 43 43 A N - 0 0 96 -2,-0.4 46,-0.7 29,-0.2 2,-0.5 -0.900 12.0-165.8-134.0 102.0 9.9 20.3 22.8 44 44 A V E -c 89 0A 23 -2,-0.4 46,-0.2 -7,-0.3 3,-0.1 -0.785 4.5-169.2 -90.2 120.1 8.2 22.6 20.3 45 45 A V E - 0 0 66 44,-3.7 2,-0.3 -2,-0.5 45,-0.2 0.833 58.6 -52.4 -82.4 -32.8 9.6 26.1 20.3 46 46 A G E +c 90 0A 10 43,-1.1 45,-2.8 10,-0.1 2,-0.3 -0.955 56.9 166.2-178.0-165.6 7.0 27.7 18.2 47 47 A G E -c 91 0A 20 -2,-0.3 2,-0.3 43,-0.3 45,-0.2 -0.972 24.7-112.1 161.2-170.9 5.0 27.6 15.0 48 48 A A E -c 92 0A 15 43,-1.6 45,-2.2 -2,-0.3 2,-0.5 -0.984 15.2-138.4-154.4 149.6 2.1 28.8 12.9 49 49 A S E +c 93 0A 38 -2,-0.3 45,-0.2 43,-0.2 7,-0.1 -0.975 18.5 174.0-122.1 130.6 -1.1 27.4 11.5 50 50 A F + 0 0 78 43,-2.8 2,-0.5 -2,-0.5 44,-0.1 -0.000 60.1 96.0-114.6 18.6 -2.4 28.1 8.0 51 51 A V S > S- 0 0 24 3,-0.4 3,-1.2 42,-0.2 2,-0.1 -0.947 83.4-113.7-111.2 125.6 -5.2 25.6 8.4 52 52 A A T 3 S+ 0 0 100 -2,-0.5 -2,-0.1 1,-0.2 3,-0.1 -0.379 92.7 7.9 -65.3 138.8 -8.6 27.1 9.5 53 53 A G T 3 S+ 0 0 88 1,-0.1 2,-0.4 -4,-0.1 -1,-0.2 0.357 106.8 94.3 76.5 -1.8 -9.8 26.0 12.9 54 54 A E < - 0 0 44 -3,-1.2 -3,-0.4 39,-0.1 -1,-0.1 -0.971 63.6-138.6-124.5 137.5 -6.7 24.2 14.2 55 55 A A > - 0 0 51 -2,-0.4 3,-0.6 1,-0.1 -5,-0.1 -0.326 23.1-118.0 -83.1 171.1 -3.9 25.5 16.2 56 57 A Y T 3 S+ 0 0 77 1,-0.2 -21,-1.4 -7,-0.1 -8,-0.1 0.808 105.8 61.5 -80.6 -29.8 -0.2 24.7 15.5 57 58 A N T 3 S+ 0 0 68 -23,-0.2 -20,-1.0 -21,-0.1 -19,-0.4 0.101 95.3 69.3 -88.6 23.5 0.5 22.9 18.8 58 59 A T < - 0 0 66 -3,-0.6 -23,-0.5 -22,-0.2 2,-0.3 -0.952 61.1-160.5-133.4 155.9 -2.1 20.2 18.4 59 60 A D + 0 0 11 -2,-0.3 -25,-0.1 -25,-0.2 -23,-0.1 -0.780 12.1 176.8-143.1 98.8 -2.1 17.3 16.0 60 61 A G S S+ 0 0 58 -27,-0.4 -1,-0.1 -2,-0.3 -26,-0.1 0.482 82.7 44.7 -76.8 -4.3 -5.3 15.5 15.2 61 62 A N S S- 0 0 52 -28,-0.4 -1,-0.1 35,-0.0 36,-0.1 0.829 88.6-136.7-105.0 -56.2 -3.7 13.2 12.7 62 63 A G S > S+ 0 0 0 -29,-0.1 4,-2.6 -28,-0.1 5,-0.2 -0.047 79.3 97.9 124.0 -34.3 -0.5 11.9 14.1 63 64 A H H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.869 85.3 47.1 -50.8 -50.8 1.6 12.2 10.9 64 65 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.863 112.8 49.2 -61.9 -40.9 3.1 15.6 12.0 65 66 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 142,-0.3 0.880 112.3 48.0 -67.1 -44.8 4.0 14.3 15.5 66 67 A H H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 141,-0.3 0.917 113.4 47.1 -62.4 -47.6 5.6 11.1 14.1 67 68 A V H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 3,-0.4 0.926 112.0 50.6 -61.3 -46.3 7.7 13.1 11.6 68 69 A A H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 -1,-0.2 0.846 106.4 54.8 -60.9 -38.4 8.8 15.6 14.2 69 70 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 138,-0.2 -1,-0.2 0.813 104.6 54.5 -67.8 -29.4 9.9 12.9 16.6 70 71 A T H < S+ 0 0 9 -4,-1.3 13,-2.0 -3,-0.4 -1,-0.2 0.891 114.0 41.2 -73.0 -34.6 12.1 11.5 13.9 71 72 A V H < S- 0 0 0 -4,-1.5 13,-2.5 11,-0.2 -2,-0.2 0.950 139.7 -1.6 -75.1 -48.4 13.8 14.8 13.5 72 73 A A H < + 0 0 5 -4,-3.3 -29,-0.2 10,-0.2 -3,-0.2 0.138 65.2 158.5-137.2 32.9 14.0 15.7 17.2 73 74 A A < - 0 0 0 -4,-2.3 9,-2.5 8,-0.1 -31,-0.2 -0.346 57.8 -96.3 -54.2 141.3 12.6 13.4 19.8 74 75 A L - 0 0 47 -33,-2.3 2,-1.1 7,-0.2 4,-0.2 -0.241 24.9-121.3 -64.6 140.8 14.5 14.4 23.0 75 76 A D + 0 0 81 10,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.696 69.4 106.7 -83.2 102.3 17.6 12.5 24.2 76 77 A N S S- 0 0 59 -2,-1.1 -74,-0.1 2,-0.4 -35,-0.0 -0.633 85.5 -70.3-150.7-150.8 16.5 11.4 27.7 77 78 A T S S+ 0 0 108 -2,-0.2 2,-0.3 -76,-0.1 -2,-0.1 0.196 103.4 62.6-104.9 18.0 15.5 8.2 29.5 78 79 A T S S- 0 0 60 -4,-0.2 -2,-0.4 2,-0.2 -76,-0.2 -0.918 92.4 -10.2-140.3 168.8 12.2 7.8 27.8 79 80 A G S S- 0 0 8 -78,-0.3 -76,-3.7 -2,-0.3 2,-0.2 -0.191 97.2 -32.3 53.7-126.9 10.5 7.2 24.5 80 81 A V - 0 0 1 -78,-0.2 2,-0.4 -76,-0.1 -4,-0.3 -0.526 52.8-115.4-117.3-175.6 12.6 7.5 21.4 81 82 A L - 0 0 15 -78,-0.4 -7,-0.2 -2,-0.2 -8,-0.1 -0.995 23.4-140.1-127.4 125.8 15.6 9.4 20.1 82 83 A G - 0 0 0 -9,-2.5 -11,-0.2 -2,-0.4 -10,-0.2 -0.286 23.7-116.4 -80.6 170.2 15.6 11.9 17.3 83 84 A V S S+ 0 0 0 -13,-2.0 -11,-0.2 1,-0.3 -12,-0.1 0.882 116.2 20.4 -69.1 -38.7 18.3 12.3 14.6 84 85 A A S > S+ 0 0 0 -13,-2.5 3,-1.7 -14,-0.2 -1,-0.3 -0.679 76.8 174.3-132.6 70.7 19.0 15.9 15.9 85 86 A P T 3 S+ 0 0 7 0, 0.0 -10,-0.2 0, 0.0 -62,-0.2 0.645 73.1 53.1 -60.8 -20.5 17.6 15.9 19.5 86 87 A S T 3 S+ 0 0 62 -64,-3.0 -61,-0.8 -12,-0.1 -60,-0.2 0.241 82.2 125.7-102.1 16.8 18.8 19.4 20.5 87 88 A V S < S- 0 0 9 -3,-1.7 2,-0.8 -65,-0.4 -60,-0.2 -0.282 70.3-110.4 -71.7 159.7 17.3 21.2 17.5 88 89 A S E -a 27 0A 26 -62,-3.0 -60,-2.4 -65,-0.4 2,-0.5 -0.814 41.8-152.0 -87.5 107.6 14.9 24.2 17.8 89 90 A L E -ac 28 44A 1 -2,-0.8 -44,-3.7 -46,-0.7 -43,-1.1 -0.773 16.0-174.6 -97.4 130.3 11.6 22.7 16.6 90 91 A Y E -ac 29 46A 45 -62,-2.3 -60,-2.8 -2,-0.5 2,-0.7 -0.970 15.4-145.3-119.5 126.8 8.9 24.7 14.9 91 92 A A E -ac 30 47A 0 -45,-2.8 -43,-1.6 -2,-0.4 2,-0.6 -0.840 15.3-176.8-100.6 118.9 5.4 23.3 14.0 92 93 A V E -ac 31 48A 0 -62,-2.1 -60,-2.1 -2,-0.7 2,-0.7 -0.918 15.5-150.7-116.0 101.7 4.0 24.8 10.8 93 94 A K E +ac 32 49A 0 -45,-2.2 -43,-2.8 -2,-0.6 -42,-0.2 -0.693 40.0 142.1 -79.8 109.4 0.5 23.4 10.2 94 95 A V + 0 0 2 -62,-1.8 2,-0.4 -2,-0.7 -61,-0.2 0.317 62.1 61.8-123.0 -8.8 -0.3 23.3 6.4 95 96 A L S S- 0 0 12 -63,-2.0 6,-0.2 -3,-0.1 -44,-0.1 -0.959 77.2-133.9-122.8 141.9 -2.2 20.0 6.4 96 97 A N > - 0 0 46 4,-3.3 3,-1.8 -2,-0.4 -2,-0.1 -0.103 41.2 -78.3 -83.3-171.3 -5.5 19.3 8.3 97 98 A S T 3 S+ 0 0 54 1,-0.3 -1,-0.1 2,-0.1 -64,-0.1 0.659 130.3 54.2 -56.0 -28.3 -6.6 16.4 10.4 98 99 A S T 3 S- 0 0 103 2,-0.2 -1,-0.3 -37,-0.0 3,-0.1 0.396 119.6-109.1 -92.9 -0.8 -7.3 14.3 7.3 99 100 A G S < S+ 0 0 34 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.603 82.0 109.2 83.0 20.2 -3.8 14.9 6.0 100 101 A S + 0 0 74 25,-0.1 -4,-3.3 -67,-0.0 -1,-0.3 -0.831 36.4 168.4-122.5 161.1 -4.6 17.2 3.1 101 102 A G - 0 0 29 -2,-0.3 -6,-0.1 -6,-0.2 2,-0.1 -0.977 33.4 -96.0-167.7 153.7 -4.1 20.9 2.5 102 103 A S > - 0 0 69 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.384 29.5-120.1 -77.7 155.4 -4.2 23.6 -0.2 103 104 A Y H > S+ 0 0 103 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.898 114.1 53.5 -56.0 -43.9 -1.3 24.8 -2.2 104 105 A S H > S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.901 108.9 48.3 -64.0 -37.6 -1.8 28.3 -0.9 105 106 A G H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 114.5 46.9 -67.8 -38.3 -1.6 27.2 2.7 106 107 A I H X S+ 0 0 11 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.962 112.5 48.7 -66.1 -47.7 1.5 25.2 1.9 107 108 A V H X S+ 0 0 17 -4,-3.5 4,-2.7 1,-0.2 5,-0.2 0.908 110.7 51.6 -57.5 -45.0 3.1 28.1 0.1 108 109 A S H X S+ 0 0 50 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.896 108.9 51.2 -61.0 -39.2 2.2 30.4 3.0 109 110 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.936 109.8 49.8 -65.3 -41.0 3.9 27.9 5.4 110 111 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.960 112.7 46.0 -61.9 -46.9 7.0 27.8 3.2 111 112 A E H X S+ 0 0 102 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.903 109.5 55.6 -63.2 -37.9 7.2 31.6 3.1 112 113 A W H X S+ 0 0 52 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.982 107.8 48.6 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