==== 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 13-JUL-93 1SCB . COMPND 2 MOLECULE: SUBTILISIN CARLSBERG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR P.A.FITZPATRICK,A.C.U.STEINMETZ,D.RINGE,A.M.KLIBANOV . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9975.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 68.2 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 . 10 3.6 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 . 1 0.4 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 . 29 10.6 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 0 1 0 0 1 1 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 . 2 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 0 121 0, 0.0 2,-0.4 0, 0.0 78,-0.4 0.000 360.0 360.0 360.0 -38.9 91.2 58.5 82.5 2 2 A Q - 0 0 49 76,-0.2 2,-0.4 74,-0.1 78,-0.2 -0.795 360.0-148.3-100.5 132.2 92.2 60.4 79.3 3 3 A T - 0 0 66 76,-2.6 78,-0.3 -2,-0.4 75,-0.0 -0.836 3.4-149.3-102.4 144.6 91.9 58.7 75.9 4 4 A V - 0 0 71 -2,-0.4 76,-0.1 76,-0.2 78,-0.1 -0.926 20.4-136.9-115.9 98.1 94.2 59.3 72.9 5 5 A P > - 0 0 18 0, 0.0 3,-1.4 0, 0.0 199,-0.1 -0.237 23.2-115.9 -52.0 143.3 92.2 58.8 69.7 6 6 A Y T 3> S+ 0 0 59 1,-0.3 4,-1.6 2,-0.2 198,-0.1 0.652 108.9 73.6 -57.0 -23.1 94.2 56.8 67.2 7 7 A G H 3> S+ 0 0 3 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.778 87.4 56.4 -60.8 -39.1 94.2 59.9 65.0 8 8 A I H X4>S+ 0 0 6 -3,-1.4 5,-2.6 1,-0.2 3,-0.6 0.954 111.4 41.5 -66.2 -46.4 96.7 62.0 67.0 9 9 A P H >45S+ 0 0 50 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.864 108.2 61.4 -66.0 -40.6 99.5 59.5 66.9 10 10 A L H 3<5S+ 0 0 38 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.776 111.6 37.4 -59.6 -34.0 98.9 58.6 63.3 11 11 A I T <<5S- 0 0 0 -4,-0.9 258,-2.5 -3,-0.6 259,-0.4 0.329 114.5-120.9 -97.2 -0.9 99.6 62.2 62.2 12 12 A K T <>5 + 0 0 78 -3,-1.1 4,-0.7 -4,-0.3 3,-0.2 0.785 66.1 144.1 60.4 42.1 102.3 62.3 64.8 13 13 A A H >< + 0 0 0 -5,-2.6 4,-2.3 1,-0.2 3,-0.4 0.781 66.3 65.3 -73.0 -32.7 100.7 65.3 66.6 14 14 A D H > S+ 0 0 66 -6,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.859 97.2 54.6 -58.8 -38.0 101.9 63.7 69.8 15 15 A K H > S+ 0 0 105 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.824 109.0 45.3 -70.0 -33.3 105.5 64.3 68.8 16 16 A V H <>S+ 0 0 0 -4,-0.7 5,-1.8 -3,-0.4 3,-0.4 0.854 113.2 52.5 -74.5 -39.8 105.1 68.0 68.2 17 17 A Q H ><5S+ 0 0 20 -4,-2.3 3,-2.7 3,-0.2 -2,-0.2 0.937 103.1 57.4 -58.0 -49.8 103.2 68.2 71.5 18 18 A A H 3<5S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.738 102.0 55.2 -55.2 -30.6 106.1 66.4 73.3 19 19 A Q T 3<5S- 0 0 93 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.439 128.5-102.9 -75.5 -16.5 108.4 69.2 72.2 20 20 A G T < 5S+ 0 0 49 -3,-2.7 2,-0.6 1,-0.3 -3,-0.2 0.783 79.9 131.0 93.7 31.7 106.0 71.6 73.8 21 21 A F < + 0 0 65 -5,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 -0.985 13.2 150.2-116.3 115.3 104.1 73.0 70.8 22 22 A K S S- 0 0 52 -2,-0.6 64,-2.6 62,-0.1 65,-0.3 -0.011 71.7 -88.5-135.2 25.7 100.3 72.8 71.3 23 23 A G > + 0 0 0 209,-0.3 3,-2.0 208,-0.3 65,-0.3 0.682 61.3 175.5 75.8 21.8 98.9 75.7 69.3 24 24 A A T 3 S+ 0 0 52 1,-0.3 -1,-0.2 63,-0.1 63,-0.2 -0.338 71.4 12.1 -60.5 134.6 99.2 78.2 72.2 25 25 A N T 3 S+ 0 0 154 61,-0.6 2,-0.5 1,-0.3 -1,-0.3 0.509 97.0 125.1 78.4 4.0 98.1 81.7 70.9 26 26 A V < - 0 0 8 -3,-2.0 62,-4.0 60,-0.2 2,-0.6 -0.832 53.3-144.5 -98.2 129.6 96.7 80.3 67.6 27 27 A K E -a 88 0A 45 -2,-0.5 92,-2.1 60,-0.2 93,-1.4 -0.908 17.7-173.8 -98.9 114.0 93.1 81.3 67.0 28 28 A V E -ab 89 120A 0 60,-2.7 62,-2.5 -2,-0.6 2,-0.5 -0.929 9.7-157.9-112.8 130.5 91.0 78.6 65.3 29 29 A A E -ab 90 121A 0 91,-2.3 93,-2.5 -2,-0.4 2,-0.6 -0.971 5.3-155.2-104.8 127.1 87.4 79.2 64.1 30 30 A V E -ab 91 122A 2 60,-2.7 62,-2.1 -2,-0.5 2,-1.0 -0.905 5.5-157.3-103.2 108.1 85.2 76.1 63.7 31 31 A L E +ab 92 123A 0 91,-2.4 93,-0.5 -2,-0.6 2,-0.2 -0.785 51.6 94.5 -91.1 96.2 82.4 76.9 61.1 32 32 A D E S-a 93 0A 0 60,-1.4 62,-2.0 -2,-1.0 63,-1.6 -0.607 90.6 -43.2-156.6-154.4 79.8 74.3 62.0 33 33 A T S S- 0 0 0 1,-0.3 27,-0.4 60,-0.2 28,-0.3 0.217 91.3 -98.7 -80.9 9.8 76.6 73.5 63.9 34 34 A G - 0 0 1 58,-0.3 -1,-0.3 -4,-0.2 2,-0.3 -0.662 40.1 -91.6 102.3-161.7 77.9 75.3 67.0 35 35 A I - 0 0 1 21,-1.1 2,-2.3 23,-0.4 56,-0.1 -0.871 20.9-118.9-159.4 124.5 79.6 73.8 70.1 36 36 A Q > - 0 0 15 -2,-0.3 3,-2.8 1,-0.2 22,-0.2 -0.462 35.8-170.2 -62.7 80.1 78.3 72.7 73.5 37 37 A A T 3 S+ 0 0 34 -2,-2.3 7,-0.4 20,-1.1 -1,-0.2 0.593 77.2 64.6 -56.0 -13.8 80.5 75.3 75.2 38 38 A S T 3 S+ 0 0 91 19,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.611 70.2 121.5 -86.0 -11.7 79.7 73.7 78.6 39 39 A H X - 0 0 3 -3,-2.8 3,-1.4 1,-0.2 168,-0.0 -0.333 64.5-137.5 -53.3 134.3 81.5 70.4 77.7 40 40 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 38,-0.1 0.612 99.5 57.6 -72.5 -13.4 84.2 69.9 80.4 41 41 A D T 3 S+ 0 0 0 32,-0.1 33,-2.0 35,-0.0 2,-0.3 0.290 103.3 62.3-100.6 9.4 86.8 68.8 77.8 42 42 A L < - 0 0 10 -3,-1.4 2,-0.4 31,-0.2 31,-0.1 -0.943 58.0-159.4-134.4 152.5 86.5 72.0 75.7 43 43 A N - 0 0 95 -2,-0.3 46,-0.7 29,-0.2 2,-0.5 -0.790 12.7-169.7-138.6 87.4 87.2 75.7 76.2 44 44 A V E -c 89 0A 24 -7,-0.4 46,-0.2 -2,-0.4 3,-0.1 -0.705 3.9-170.0 -81.0 124.1 85.3 77.9 73.7 45 45 A V E - 0 0 75 44,-3.0 2,-0.3 -2,-0.5 45,-0.2 0.610 55.1 -61.4 -93.3 -17.1 86.6 81.4 73.9 46 46 A G E +c 90 0A 9 43,-0.8 45,-2.6 10,-0.0 2,-0.3 -0.979 56.7 153.1 166.8-163.3 83.9 83.1 71.7 47 47 A G E -c 91 0A 21 -2,-0.3 2,-0.3 43,-0.3 45,-0.2 -0.943 32.7-105.2 144.6-156.1 82.3 83.3 68.3 48 48 A A E -c 92 0A 21 43,-1.0 45,-2.2 -2,-0.3 2,-0.4 -0.946 15.9-121.1-157.4 170.4 79.0 84.1 66.7 49 49 A S E -c 93 0A 35 -2,-0.3 45,-0.2 43,-0.2 7,-0.1 -0.986 15.2-179.5-131.3 134.5 75.9 82.7 65.1 50 50 A F + 0 0 76 43,-2.9 2,-0.4 -2,-0.4 44,-0.1 0.220 61.8 98.1-113.4 12.2 74.5 83.3 61.6 51 51 A V S > S- 0 0 27 3,-0.4 3,-1.2 42,-0.4 2,-0.1 -0.881 81.2-110.3-110.6 129.7 71.6 81.0 62.2 52 52 A A T 3 S+ 0 0 100 -2,-0.4 -2,-0.1 1,-0.2 3,-0.1 -0.361 94.8 2.8 -64.8 131.4 68.1 82.3 63.2 53 53 A G T 3 S+ 0 0 89 -2,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.363 107.2 95.2 75.4 1.2 67.1 81.4 66.7 54 54 A E < - 0 0 46 -3,-1.2 -3,-0.4 39,-0.1 2,-0.2 -0.986 62.5-139.0-128.2 131.4 70.2 79.6 67.9 55 55 A A > - 0 0 49 -2,-0.4 3,-1.0 1,-0.1 -5,-0.1 -0.443 28.1-111.8 -60.9-170.1 73.2 81.1 69.9 56 57 A Y T 3 S+ 0 0 71 1,-0.3 -21,-1.1 -2,-0.2 -8,-0.1 0.842 106.4 62.7-100.7 -13.8 76.7 80.1 69.0 57 58 A N T 3 S+ 0 0 67 -23,-0.2 -20,-1.1 -21,-0.1 2,-0.3 0.108 90.1 70.2 -96.2 24.9 77.4 78.1 72.2 58 59 A T < - 0 0 72 -3,-1.0 2,-0.4 -22,-0.2 -23,-0.4 -0.944 59.1-161.0-132.4 147.2 74.9 75.4 72.0 59 60 A D + 0 0 12 -2,-0.3 3,-0.5 -25,-0.2 -25,-0.1 -0.954 11.0 179.3-132.6 110.3 75.0 72.5 69.5 60 61 A G S S+ 0 0 58 -27,-0.4 -26,-0.1 -2,-0.4 -1,-0.1 0.416 82.6 49.8 -89.3 -2.6 71.7 70.6 69.0 61 62 A N S S- 0 0 46 -28,-0.3 2,-7.4 35,-0.0 -1,-0.2 -0.294 89.3-134.5-121.1 37.7 73.4 68.3 66.5 62 63 A G S > S+ 0 0 2 -3,-0.5 4,-2.2 1,-0.2 5,-0.2 0.279 82.2 98.0 30.5 -28.7 76.7 66.8 68.0 63 64 A H H > S+ 0 0 37 -2,-7.4 4,-1.8 1,-0.2 -1,-0.2 0.927 81.9 42.1 -51.6 -60.6 78.5 67.6 64.7 64 65 A G H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.811 114.7 52.5 -60.3 -37.3 80.3 70.9 65.5 65 66 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 142,-0.4 0.865 107.7 51.1 -62.9 -46.1 81.2 69.6 69.0 66 67 A H H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 141,-0.3 0.891 113.8 44.6 -59.9 -43.0 82.8 66.5 67.6 67 68 A V H X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.880 111.1 52.5 -68.9 -42.6 84.9 68.6 65.2 68 69 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.820 107.3 56.8 -61.7 -32.7 85.8 71.1 67.9 69 70 A G H X S+ 0 0 1 -4,-1.7 4,-2.3 138,-0.2 -2,-0.2 0.905 101.8 52.7 -65.3 -47.3 87.0 68.1 69.8 70 71 A T H < S+ 0 0 10 -4,-1.6 13,-2.1 2,-0.2 -1,-0.2 0.823 115.0 42.1 -65.4 -31.1 89.4 66.9 67.2 71 72 A V H < S- 0 0 0 -4,-1.4 13,-3.3 11,-0.2 -2,-0.2 0.966 135.7 -0.2 -76.7 -50.9 91.1 70.3 67.1 72 73 A A H < + 0 0 6 -4,-2.5 -29,-0.2 10,-0.2 -3,-0.2 0.110 60.4 157.1-135.9 24.8 91.2 71.1 70.7 73 74 A A < - 0 0 0 -4,-2.3 9,-2.2 8,-0.1 -31,-0.2 -0.377 60.7-101.5 -55.3 125.3 89.9 68.8 73.4 74 75 A L - 0 0 49 -33,-2.0 2,-0.9 7,-0.2 12,-0.1 0.058 24.3-114.1 -45.2 155.9 91.9 70.0 76.4 75 76 A D S S+ 0 0 85 10,-0.3 2,-0.2 6,-0.1 -1,-0.1 -0.894 72.5 109.7 -96.0 101.6 95.0 68.1 77.7 76 77 A N S S- 0 0 62 -2,-0.9 -74,-0.1 2,-0.4 -35,-0.0 -0.423 83.8 -74.2-143.6-135.7 93.9 67.0 81.1 77 78 A T S S+ 0 0 114 -2,-0.2 2,-0.3 -76,-0.1 -2,-0.1 0.220 102.3 66.1-125.2 13.4 92.9 63.8 83.0 78 79 A T S S- 0 0 60 2,-0.2 -2,-0.4 -4,-0.1 -76,-0.2 -0.882 92.6 -14.8-135.1 163.7 89.5 63.4 81.4 79 80 A G S S- 0 0 9 -78,-0.4 -76,-2.6 -2,-0.3 2,-0.2 -0.273 95.8 -29.3 57.3-120.4 87.9 62.7 78.0 80 81 A V - 0 0 0 -78,-0.2 2,-0.4 -2,-0.2 -4,-0.3 -0.595 52.5-115.7-120.7-174.6 89.9 62.9 74.8 81 82 A L - 0 0 13 -78,-0.3 2,-0.2 -2,-0.2 -7,-0.2 -0.994 21.6-145.0-129.1 135.2 92.9 64.9 73.5 82 83 A G - 0 0 0 -9,-2.2 -11,-0.2 -2,-0.4 -10,-0.2 -0.593 26.5-114.3 -98.1 161.0 92.9 67.3 70.6 83 84 A V S S+ 0 0 0 -13,-2.1 -11,-0.2 1,-0.3 -12,-0.2 0.829 115.4 21.8 -58.9 -39.0 95.7 67.8 68.0 84 85 A A S > S+ 0 0 0 -13,-3.3 3,-1.7 -14,-0.2 -1,-0.3 -0.655 73.1 173.4-136.0 76.7 96.3 71.4 69.3 85 86 A P T 3 S+ 0 0 8 0, 0.0 -10,-0.3 0, 0.0 -62,-0.1 0.524 74.8 55.8 -64.5 -13.4 94.9 71.5 72.9 86 87 A S T 3 S+ 0 0 53 -64,-2.6 -61,-0.6 -12,-0.1 -60,-0.2 0.335 81.2 124.6-105.0 10.2 96.1 75.0 73.7 87 88 A V < - 0 0 12 -3,-1.7 2,-0.8 -65,-0.3 -60,-0.2 -0.201 69.7-113.1 -66.0 157.1 94.4 76.7 70.7 88 89 A S E -a 27 0A 33 -62,-4.0 -60,-2.7 -65,-0.3 2,-0.4 -0.872 40.9-151.1 -91.5 106.5 92.1 79.7 71.1 89 90 A L E -ac 28 44A 1 -2,-0.8 -44,-3.0 -46,-0.7 -43,-0.8 -0.732 17.1-174.5 -94.4 129.1 88.7 78.2 70.0 90 91 A Y E -ac 29 46A 43 -62,-2.5 -60,-2.7 -2,-0.4 2,-0.6 -0.969 14.1-149.1-119.7 132.4 85.9 80.1 68.4 91 92 A A E -ac 30 47A 0 -45,-2.6 -43,-1.0 -2,-0.4 2,-0.5 -0.915 14.6-177.4-102.0 118.1 82.5 78.6 67.6 92 93 A V E -ac 31 48A 0 -62,-2.1 -60,-1.4 -2,-0.6 2,-0.6 -0.961 16.7-148.9-116.2 107.6 80.9 80.1 64.5 93 94 A K E +ac 32 49A 0 -45,-2.2 -43,-2.9 -2,-0.5 -42,-0.4 -0.725 39.6 145.4 -83.4 108.4 77.4 78.6 63.9 94 95 A V + 0 0 1 -62,-2.0 2,-0.4 -2,-0.6 8,-0.3 0.329 60.2 64.2-119.8 -10.9 76.7 78.6 60.1 95 96 A L S S- 0 0 10 -63,-1.6 6,-0.3 6,-0.1 -44,-0.1 -0.918 78.4-128.3-118.4 144.2 74.7 75.4 60.1 96 97 A N > - 0 0 52 4,-3.8 3,-2.2 -2,-0.4 -2,-0.1 -0.177 40.2 -86.1 -80.2 172.7 71.4 74.6 61.7 97 98 A S T 3 S+ 0 0 49 1,-0.3 -34,-0.1 2,-0.1 -64,-0.1 0.638 128.4 54.4 -50.9 -31.3 70.6 71.7 64.0 98 99 A S T 3 S- 0 0 105 2,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.201 123.5-104.9 -91.7 -1.1 69.7 69.4 61.1 99 100 A G S < S+ 0 0 33 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.429 81.0 113.9 90.4 6.0 73.1 70.2 59.7 100 101 A S + 0 0 73 25,-0.1 -4,-3.8 -67,-0.0 2,-0.3 -0.615 33.5 172.7-112.3 163.2 72.3 72.6 56.8 101 102 A G - 0 0 37 -6,-0.3 2,-0.2 -2,-0.2 -6,-0.1 -0.981 29.9-103.8-156.0 164.8 73.1 76.2 56.2 102 103 A S > - 0 0 72 -8,-0.3 4,-2.9 -2,-0.3 5,-0.1 -0.544 28.0-119.1 -94.6 156.7 72.8 78.9 53.5 103 104 A Y H > S+ 0 0 85 1,-0.2 4,-4.0 -2,-0.2 5,-0.3 0.970 117.9 55.4 -56.2 -48.1 75.6 80.2 51.4 104 105 A S H > S+ 0 0 80 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.831 108.9 43.8 -54.0 -42.1 74.8 83.6 53.0 105 106 A G H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.942 116.3 50.2 -69.8 -42.9 75.3 82.3 56.6 106 107 A I H X S+ 0 0 10 -4,-2.9 4,-1.9 1,-0.2 3,-0.4 0.944 111.2 45.7 -58.6 -52.2 78.4 80.4 55.4 107 108 A V H X S+ 0 0 21 -4,-4.0 4,-2.4 1,-0.3 -1,-0.2 0.841 110.9 55.8 -65.8 -27.3 79.9 83.5 53.7 108 109 A S H X S+ 0 0 40 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.3 0.865 106.2 49.7 -66.7 -45.7 79.0 85.6 56.8 109 110 A G H X S+ 0 0 0 -4,-2.0 4,-1.8 -3,-0.4 -2,-0.2 0.913 110.9 49.6 -62.3 -41.9 81.0 83.1 59.0 110 111 A I H X S+ 0 0 1 -4,-1.9 4,-2.9 1,-0.2 3,-0.3 0.964 111.6 48.7 -60.8 -51.9 84.0 83.3 56.8 111 112 A E H X S+ 0 0 118 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.844 109.7 51.8 -59.4 -35.6 83.9 87.1 56.8 112 113 A W H X S+ 0 0 50 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.790 111.0 48.6 -70.9 -33.8 83.6 87.2 60.6 113 114 A A H <>S+ 0 0 0 -4,-1.8 5,-1.7 -3,-0.3 4,-0.2 0.922 111.7 47.6 -74.3 -47.2 86.6 85.0 60.9 114 115 A T H ><5S+ 0 0 19 -4,-2.9 3,-1.9 1,-0.2 -2,-0.2 0.993 117.2 44.4 -53.6 -58.8 88.7 87.0 58.5 115 116 A T H 3<5S+ 0 0 107 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.703 109.8 53.4 -50.6 -42.1 87.7 90.2 60.3 116 117 A N T 3<5S- 0 0 77 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.271 116.6-107.6 -88.8 12.7 88.1 88.9 63.9 117 118 A G T < 5 + 0 0 26 -3,-1.9 -90,-0.2 -4,-0.2 -3,-0.2 0.447 53.9 170.2 80.3 11.4 91.7 87.8 63.2 118 119 A M < - 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