==== 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 23-AUG-93 1SCD . COMPND 2 MOLECULE: SUBTILISIN CARLSBERG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR P.A.FITZPATRICK,D.RINGE,A.M.KLIBANOV . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 66.4 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 . 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 . 17 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 22.6 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 1 0 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 0 120 0, 0.0 2,-0.4 0, 0.0 78,-0.3 0.000 360.0 360.0 360.0 -35.3 91.2 58.8 82.4 2 2 A Q - 0 0 49 76,-0.2 2,-0.4 74,-0.1 78,-0.2 -0.748 360.0-145.0 -92.8 136.2 92.2 60.9 79.4 3 3 A T - 0 0 61 76,-3.3 78,-0.1 -2,-0.4 75,-0.1 -0.804 3.4-151.0-102.7 143.0 91.9 59.3 76.0 4 4 A V - 0 0 76 -2,-0.4 78,-0.1 76,-0.2 76,-0.1 -0.917 20.2-135.3-117.6 98.3 94.2 59.8 73.1 5 5 A P > - 0 0 15 0, 0.0 3,-1.7 0, 0.0 199,-0.1 -0.253 20.1-119.7 -51.4 135.1 92.4 59.3 69.8 6 6 A Y T 3> S+ 0 0 69 1,-0.3 4,-1.9 2,-0.2 198,-0.1 0.794 109.6 72.0 -52.0 -29.8 94.5 57.2 67.4 7 7 A G H 3> S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.857 88.3 58.1 -53.0 -43.6 94.3 60.3 65.1 8 8 A I H <4>S+ 0 0 3 -3,-1.7 5,-2.1 1,-0.2 6,-0.8 0.927 111.0 39.8 -56.7 -50.8 96.8 62.4 67.3 9 9 A P H >45S+ 0 0 51 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.858 108.8 63.4 -69.1 -35.9 99.7 60.0 67.1 10 10 A L H 3<5S+ 0 0 39 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.856 110.8 35.7 -60.8 -37.3 99.0 59.2 63.4 11 11 A I T 3<5S- 0 0 0 -4,-1.5 258,-3.1 -3,-0.3 259,-0.5 0.313 113.6-120.0 -95.0 -0.3 99.7 62.8 62.2 12 12 A K T <>5 + 0 0 67 -3,-0.7 4,-0.9 -4,-0.3 3,-0.2 0.784 69.5 139.0 61.0 39.0 102.4 63.1 64.8 13 13 A A H > S+ 0 0 67 -6,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.812 98.6 51.1 -69.1 -33.6 101.9 64.2 69.8 15 15 A K H 4 S+ 0 0 108 -3,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.838 112.6 46.8 -71.5 -37.3 105.6 64.5 68.9 16 16 A V H ><>S+ 0 0 1 -4,-0.9 5,-1.6 2,-0.2 3,-0.5 0.781 108.0 54.9 -71.7 -37.4 105.2 68.3 68.4 17 17 A Q H ><5S+ 0 0 17 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.863 103.0 58.3 -62.0 -40.9 103.2 68.7 71.6 18 18 A A T 3<5S+ 0 0 90 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.692 98.5 57.9 -62.1 -28.5 106.1 67.1 73.5 19 19 A Q T < 5S- 0 0 89 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.478 127.1 -99.2 -78.3 -10.9 108.6 69.8 72.3 20 20 A G T < 5S+ 0 0 54 -3,-1.7 2,-0.6 1,-0.3 -3,-0.2 0.532 84.8 123.1 103.5 12.7 106.3 72.4 73.9 21 21 A F < + 0 0 63 -5,-1.6 -1,-0.3 1,-0.1 -2,-0.2 -0.924 14.9 148.7-111.5 118.0 104.3 73.7 70.9 22 22 A K S S- 0 0 42 -2,-0.6 64,-2.0 62,-0.1 65,-0.5 0.239 71.9 -90.7-129.2 6.3 100.5 73.3 71.5 23 23 A G > + 0 0 0 209,-0.2 3,-1.9 1,-0.2 65,-0.3 0.604 59.6 174.5 92.7 18.4 99.1 76.3 69.6 24 24 A A T 3 S+ 0 0 58 1,-0.3 -1,-0.2 63,-0.2 63,-0.2 -0.293 70.1 12.2 -62.5 130.2 99.1 78.9 72.4 25 25 A N T 3 S+ 0 0 148 61,-0.7 2,-0.5 1,-0.3 -1,-0.3 0.643 95.1 125.0 82.3 5.2 98.1 82.4 71.2 26 26 A V < - 0 0 8 -3,-1.9 62,-2.6 60,-0.1 2,-0.6 -0.923 55.5-139.3 -99.2 133.5 96.8 81.0 67.8 27 27 A K E -a 88 0A 75 -2,-0.5 92,-2.1 90,-0.2 93,-1.7 -0.857 21.2-175.9 -99.4 118.7 93.2 82.0 67.0 28 28 A V E -ab 89 120A 0 60,-2.7 62,-3.1 -2,-0.6 2,-0.5 -0.951 10.1-159.2-117.3 127.9 91.0 79.3 65.3 29 29 A A E -ab 90 121A 0 91,-3.0 93,-3.0 -2,-0.5 2,-0.7 -0.862 5.0-155.7-101.2 134.0 87.5 79.9 64.2 30 30 A V E -ab 91 122A 2 60,-2.6 62,-2.0 -2,-0.5 2,-0.9 -0.927 3.9-158.8-111.2 106.5 85.3 76.8 63.7 31 31 A L E +ab 92 123A 0 91,-2.2 93,-0.6 -2,-0.7 62,-0.2 -0.814 51.8 96.7 -85.8 102.1 82.5 77.6 61.2 32 32 A D E S-a 93 0A 1 60,-1.8 63,-2.3 -2,-0.9 62,-2.2 -0.612 89.9 -43.6-155.7-146.3 79.9 74.9 62.1 33 33 A T S S- 0 0 2 1,-0.4 27,-0.4 60,-0.2 28,-0.2 0.294 91.8 -96.4 -85.6 7.7 76.8 74.0 64.1 34 34 A G - 0 0 1 58,-0.3 -1,-0.4 -4,-0.2 2,-0.3 -0.466 41.1 -95.3 99.8-171.0 78.1 75.9 67.1 35 35 A I - 0 0 0 21,-1.1 2,-1.7 23,-0.2 3,-0.1 -0.992 23.8-116.1-143.7 136.7 79.9 74.4 70.2 36 36 A Q > - 0 0 16 -2,-0.3 3,-2.3 22,-0.2 22,-0.2 -0.689 35.8-167.1 -74.0 90.3 78.4 73.3 73.5 37 37 A A T 3 S+ 0 0 32 -2,-1.7 7,-0.4 20,-1.0 -1,-0.2 0.710 77.7 61.5 -54.6 -32.7 80.5 75.9 75.4 38 38 A S T 3 S+ 0 0 92 19,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.437 70.7 122.0 -72.9 -10.5 79.8 74.4 78.8 39 39 A H X - 0 0 2 -3,-2.3 3,-1.6 1,-0.1 168,-0.0 -0.443 64.9-136.1 -59.3 130.3 81.5 71.0 78.0 40 40 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 0.743 99.5 59.9 -63.0 -23.9 84.3 70.6 80.6 41 41 A D T 3 S+ 0 0 0 32,-0.1 33,-2.7 35,-0.0 2,-0.3 0.287 100.0 65.6 -91.7 14.4 86.8 69.4 77.9 42 42 A L < - 0 0 12 -3,-1.6 2,-0.5 31,-0.2 31,-0.1 -0.966 58.1-156.4-139.3 146.7 86.7 72.7 75.8 43 43 A N - 0 0 98 -2,-0.3 46,-0.8 29,-0.3 2,-0.6 -0.896 15.8-174.4-125.5 92.8 87.6 76.4 76.2 44 44 A V E -c 89 0A 24 -2,-0.5 46,-0.2 -7,-0.4 3,-0.1 -0.839 5.8-172.3 -91.6 122.4 85.5 78.6 73.9 45 45 A V E - 0 0 77 44,-2.4 2,-0.3 -2,-0.6 45,-0.2 0.640 56.1 -54.4 -89.1 -27.1 86.7 82.2 74.0 46 46 A G E +c 90 0A 11 43,-0.8 45,-1.9 10,-0.1 2,-0.3 -0.944 55.9 162.0 176.7-163.4 84.0 83.9 71.9 47 47 A G E -c 91 0A 23 -2,-0.3 2,-0.3 43,-0.3 45,-0.2 -0.938 29.1-103.5 156.4-166.4 82.2 83.8 68.5 48 48 A A E -c 92 0A 14 43,-0.8 45,-2.1 -2,-0.3 2,-0.4 -0.919 17.5-132.2-144.1 164.8 79.1 85.0 66.6 49 49 A S E +c 93 0A 41 -2,-0.3 45,-0.1 43,-0.2 7,-0.1 -0.997 19.7 173.7-134.4 127.8 75.9 83.4 65.4 50 50 A F + 0 0 75 43,-2.3 2,-0.5 -2,-0.4 44,-0.1 0.067 58.9 94.5-115.5 14.4 74.5 83.9 61.9 51 51 A V S > S- 0 0 27 3,-0.4 3,-1.0 42,-0.2 2,-0.1 -0.950 84.0-109.9-112.7 128.2 71.6 81.5 62.3 52 52 A A T 3 S+ 0 0 100 -2,-0.5 -2,-0.1 1,-0.2 3,-0.1 -0.337 93.9 3.2 -59.0 132.8 68.2 82.9 63.4 53 53 A G T 3 S+ 0 0 95 1,-0.1 2,-0.4 -4,-0.1 -1,-0.2 0.285 107.9 96.0 76.8 -2.6 67.1 82.1 67.0 54 54 A E < - 0 0 51 -3,-1.0 -3,-0.4 1,-0.1 -1,-0.1 -0.969 64.7-135.4-124.4 129.3 70.2 80.2 68.1 55 55 A A > - 0 0 53 -2,-0.4 3,-0.6 1,-0.1 -1,-0.1 0.426 23.3-118.0-104.4 147.3 73.2 81.5 70.0 56 57 A Y T 3 S+ 0 0 71 -7,-0.1 -21,-1.1 -9,-0.1 -8,-0.1 0.794 105.9 62.9 -57.7 -16.1 76.7 80.6 69.1 57 58 A N T 3 S+ 0 0 69 -23,-0.2 -20,-1.0 -21,-0.1 -19,-0.3 -0.018 92.6 67.3-101.0 24.1 77.5 78.9 72.3 58 59 A T < - 0 0 73 -3,-0.6 2,-0.4 -22,-0.2 -23,-0.2 -0.974 60.3-160.2-139.1 147.7 75.0 76.0 72.1 59 60 A D + 0 0 12 -2,-0.3 -25,-0.1 -25,-0.2 -23,-0.1 -0.933 11.3 178.3-137.4 106.9 75.0 73.1 69.7 60 61 A G S S+ 0 0 61 -2,-0.4 -26,-0.1 -27,-0.4 -1,-0.1 0.252 83.9 44.6 -90.7 5.1 71.7 71.3 69.2 61 62 A N S S- 0 0 56 -28,-0.2 -1,-0.1 37,-0.0 36,-0.1 0.755 90.2-137.8-108.1 -52.8 73.2 68.9 66.6 62 63 A G S > S+ 0 0 0 -29,-0.1 4,-2.3 -28,-0.1 5,-0.2 -0.079 76.6 101.9 114.6 -27.2 76.7 67.8 67.9 63 64 A H H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.956 83.5 48.4 -51.4 -52.3 78.7 68.1 64.7 64 65 A G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.861 110.1 49.2 -58.4 -46.0 80.3 71.4 65.8 65 66 A T H > S+ 0 0 0 2,-0.2 4,-2.2 3,-0.2 142,-0.3 0.916 110.7 52.7 -56.9 -47.5 81.3 70.3 69.3 66 67 A H H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 141,-0.4 0.960 112.3 43.4 -56.8 -54.0 82.9 67.1 67.7 67 68 A V H >X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-0.6 0.952 111.8 53.8 -57.7 -49.4 85.0 69.1 65.2 68 69 A A H 3X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.900 106.0 56.0 -53.0 -37.7 85.9 71.7 67.9 69 70 A G H 3X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.818 103.0 52.1 -65.7 -37.1 87.2 68.7 70.0 70 71 A T H << S+ 0 0 6 -4,-1.5 13,-2.3 -3,-0.6 -1,-0.2 0.865 115.4 42.6 -69.1 -37.2 89.6 67.4 67.4 71 72 A V H < S- 0 0 0 -4,-1.8 13,-3.2 11,-0.2 -2,-0.2 0.966 137.9 -0.2 -69.6 -54.4 91.1 70.8 67.1 72 73 A A H < + 0 0 5 -4,-3.1 -29,-0.3 10,-0.2 -2,-0.2 0.070 63.4 157.5-134.1 32.2 91.3 71.7 70.8 73 74 A A < - 0 0 0 -4,-2.4 9,-2.5 1,-0.1 -31,-0.2 -0.325 59.5 -95.8 -57.6 132.5 90.0 69.3 73.5 74 75 A L - 0 0 51 -33,-2.7 2,-0.9 7,-0.2 4,-0.2 -0.102 25.3-121.3 -53.3 144.0 91.9 70.4 76.7 75 76 A D S S+ 0 0 83 10,-0.2 2,-0.2 6,-0.1 6,-0.1 -0.863 72.3 104.2 -90.9 105.5 95.1 68.7 77.8 76 77 A N S S- 0 0 60 -2,-0.9 -74,-0.1 2,-0.3 -35,-0.0 -0.645 86.2 -69.5-157.6-143.3 94.0 67.5 81.3 77 78 A T S S+ 0 0 117 -2,-0.2 2,-0.3 -76,-0.1 -2,-0.1 0.101 101.1 59.4-120.2 17.6 93.0 64.3 83.0 78 79 A T S S- 0 0 64 2,-0.2 -2,-0.3 -4,-0.2 -76,-0.2 -0.875 92.5 -4.4-139.1 170.6 89.6 63.6 81.4 79 80 A G S S- 0 0 8 -78,-0.3 -76,-3.3 -2,-0.3 2,-0.2 -0.181 99.2 -37.5 50.4-125.3 87.9 63.1 78.1 80 81 A V - 0 0 2 -78,-0.2 2,-0.3 -39,-0.1 -4,-0.3 -0.376 53.3-118.8-114.7-164.9 90.1 63.3 75.0 81 82 A L - 0 0 16 -2,-0.2 -7,-0.2 -78,-0.1 -73,-0.2 -0.979 23.9-132.8-142.8 133.5 93.0 65.6 73.8 82 83 A G - 0 0 0 -9,-2.5 -11,-0.2 -2,-0.3 -10,-0.2 -0.284 21.7-114.6 -83.8 161.7 93.1 67.9 70.8 83 84 A V S S+ 0 0 0 -13,-2.3 -11,-0.2 1,-0.3 -12,-0.2 0.897 117.4 19.3 -60.3 -41.2 95.7 68.4 68.1 84 85 A A S > S+ 0 0 0 -13,-3.2 3,-1.8 -14,-0.2 -1,-0.3 -0.622 76.0 173.3-136.3 68.8 96.4 71.9 69.3 85 86 A P T 3 S+ 0 0 6 0, 0.0 -10,-0.2 0, 0.0 -62,-0.1 0.648 72.7 55.7 -50.7 -30.7 95.0 72.0 72.9 86 87 A S T 3 S+ 0 0 60 -64,-2.0 -61,-0.7 -12,-0.1 -63,-0.2 0.379 80.1 120.4 -91.9 7.1 96.3 75.5 73.8 87 88 A V S < S- 0 0 12 -3,-1.8 2,-0.7 -65,-0.5 -60,-0.2 -0.204 70.7-112.5 -66.9 161.5 94.6 77.4 70.9 88 89 A S E -a 27 0A 33 -62,-2.6 -60,-2.7 -65,-0.3 2,-0.5 -0.860 41.7-151.4 -92.2 110.1 92.2 80.3 71.4 89 90 A L E -ac 28 44A 0 -46,-0.8 -44,-2.4 -2,-0.7 -43,-0.8 -0.778 16.1-171.6-102.0 122.9 88.9 78.8 70.0 90 91 A Y E -ac 29 46A 35 -62,-3.1 -60,-2.6 -2,-0.5 2,-0.6 -0.941 12.3-149.4-110.9 140.3 86.0 80.8 68.4 91 92 A A E -ac 30 47A 0 -45,-1.9 -43,-0.8 -2,-0.4 2,-0.6 -0.961 13.7-177.2-109.7 113.4 82.6 79.2 67.5 92 93 A V E -ac 31 48A 0 -62,-2.0 -60,-1.8 -2,-0.6 2,-0.7 -0.978 18.6-146.0-113.2 106.4 81.0 80.8 64.5 93 94 A K E +ac 32 49A 0 -45,-2.1 -43,-2.3 -2,-0.6 -42,-0.2 -0.763 40.4 146.4 -80.4 113.0 77.5 79.2 63.9 94 95 A V + 0 0 2 -62,-2.2 8,-0.5 -2,-0.7 2,-0.3 0.369 59.0 64.2-122.3 -12.7 76.8 79.1 60.2 95 96 A L S S- 0 0 9 -63,-2.3 6,-0.2 6,-0.1 -44,-0.1 -0.889 76.6-127.5-117.8 151.8 74.8 75.8 60.2 96 97 A N > - 0 0 52 4,-2.2 3,-2.3 -2,-0.3 -2,-0.1 -0.137 38.8 -83.9 -89.7 179.2 71.5 75.0 61.9 97 98 A S T 3 S+ 0 0 52 1,-0.3 -64,-0.1 2,-0.1 -1,-0.0 0.799 129.1 52.4 -51.5 -36.2 70.4 72.2 64.2 98 99 A S T 3 S- 0 0 105 2,-0.2 -1,-0.3 -37,-0.0 -65,-0.0 0.456 122.4-107.0 -87.4 -1.9 69.8 69.9 61.3 99 100 A G S < S+ 0 0 31 -3,-2.3 2,-0.3 1,-0.2 -2,-0.1 0.528 80.3 106.3 87.6 13.1 73.3 70.6 60.0 100 101 A S - 0 0 73 25,-0.1 -4,-2.2 -67,-0.0 2,-0.3 -0.870 40.3-175.0-128.3 155.5 72.7 72.8 56.9 101 102 A G - 0 0 43 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.1 -0.870 25.3-102.6-138.4 175.8 73.2 76.4 56.1 102 103 A S > - 0 0 66 -8,-0.5 4,-2.5 -2,-0.3 3,-0.3 -0.720 30.1-122.6 -98.5 149.1 72.8 79.3 53.6 103 104 A Y H > S+ 0 0 105 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.864 113.7 52.8 -56.5 -41.8 75.6 80.7 51.5 104 105 A S H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.840 108.1 50.8 -66.4 -31.0 75.0 84.2 52.9 105 106 A G H > S+ 0 0 7 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.953 113.8 44.9 -64.1 -49.5 75.3 82.8 56.5 106 107 A I H X S+ 0 0 11 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.970 112.1 50.5 -57.5 -55.6 78.6 81.1 55.6 107 108 A V H X S+ 0 0 12 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.926 110.4 52.4 -51.8 -42.4 79.9 84.2 53.8 108 109 A S H X S+ 0 0 44 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.945 110.8 45.4 -60.9 -48.1 79.0 86.2 56.9 109 110 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.858 112.4 52.3 -59.9 -39.1 80.9 83.8 59.2 110 111 A I H X S+ 0 0 0 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.949 113.8 42.5 -66.9 -43.6 83.9 83.8 56.7 111 112 A E H X S+ 0 0 108 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.821 110.3 56.5 -70.2 -28.3 84.0 87.7 56.8 112 113 A W H X S+ 0 0 53 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.951 106.9 51.1 -63.1 -51.8 83.5 87.8 60.5 113 114 A A H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 -1,-0.2 0.799 110.2 48.5 -57.8 -32.7 86.5 85.6 60.9 114 115 A T H ><5S+ 0 0 21 -4,-1.3 3,-1.1 1,-0.2 -2,-0.2 0.929 112.4 47.7 -75.7 -42.6 88.6 88.0 58.6 115 116 A T H 3<5S+ 0 0 101 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.721 110.9 52.6 -64.3 -27.7 87.6 91.1 60.5 116 117 A N T 3<5S- 0 0 71 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.320 114.6-109.5 -98.9 8.1 88.3 89.6 63.9 117 118 A G T < 5 + 0 0 38 -3,-1.1 -90,-0.2 1,-0.2 -3,-0.2 0.795 49.0 174.7 75.6 30.6 91.9 88.4 63.2 118 119 A M < - 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