==== 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 HYDROLASE(SERINE PROTEINASE) 10-JUN-92 1SUB . COMPND 2 MOLECULE: SUBTILISIN BPN' CRB-S3; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR T.GALLAGHER,P.BRYAN,G.L.GILLILAND . 275 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.8 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 . 2 0.7 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 . 30 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 23.6 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 1 2 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 . 5 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 79,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 159.6 -10.2 60.7 32.1 2 2 A Q - 0 0 45 77,-0.2 2,-0.3 75,-0.2 79,-0.2 -0.863 360.0-152.3 -96.7 145.1 -6.8 59.2 31.2 3 3 A S - 0 0 79 77,-2.7 79,-0.1 -2,-0.4 76,-0.0 -0.841 9.5-138.8-115.7 144.4 -4.4 58.2 34.0 4 4 A V - 0 0 69 -2,-0.3 79,-0.1 77,-0.2 77,-0.1 -0.961 26.4-126.9-106.7 111.4 -0.6 58.1 33.4 5 5 A P >> - 0 0 20 0, 0.0 3,-1.4 0, 0.0 4,-1.2 -0.365 20.2-116.3 -57.6 144.1 0.9 55.0 35.1 6 6 A Y H 3> S+ 0 0 74 1,-0.3 4,-2.2 2,-0.2 199,-0.1 0.765 111.5 59.3 -49.5 -41.2 3.7 55.8 37.5 7 7 A G H 3> S+ 0 0 1 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.794 98.5 55.8 -66.8 -30.4 6.2 53.8 35.4 8 8 A V H <4>S+ 0 0 3 -3,-1.4 5,-1.7 1,-0.2 3,-0.2 0.917 114.0 41.4 -64.5 -43.9 5.7 55.9 32.2 9 9 A S H ><5S+ 0 0 62 -4,-1.2 3,-1.3 1,-0.2 -2,-0.2 0.863 107.4 63.2 -67.8 -38.7 6.6 59.0 34.2 10 10 A Q H 3<5S+ 0 0 36 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.798 105.5 44.3 -59.7 -39.7 9.4 57.2 36.1 11 11 A I T 3<5S- 0 0 0 -4,-1.3 259,-2.4 -3,-0.2 260,-0.6 0.372 116.2-115.8 -84.6 0.2 11.4 56.6 32.8 12 12 A K T X>5 + 0 0 84 -3,-1.3 4,-0.8 -4,-0.2 3,-0.8 0.651 66.1 143.8 70.8 32.2 10.7 60.2 31.7 13 13 A A H >>< + 0 0 0 -5,-1.7 4,-2.0 1,-0.2 3,-0.7 0.856 62.0 64.7 -62.3 -43.9 8.6 59.4 28.6 14 14 A P H 3> S+ 0 0 45 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.806 93.5 62.4 -57.5 -28.1 6.2 62.4 29.0 15 15 A A H <> S+ 0 0 26 -3,-0.8 4,-0.6 1,-0.2 -2,-0.2 0.920 108.5 42.7 -60.5 -46.6 9.1 64.8 28.4 16 16 A L H X<>S+ 0 0 2 -4,-0.8 5,-2.3 -3,-0.7 3,-0.8 0.856 110.6 55.7 -65.2 -42.3 9.5 63.3 24.9 17 17 A H H ><5S+ 0 0 28 -4,-2.0 3,-1.7 1,-0.3 -2,-0.2 0.914 103.7 54.5 -57.3 -42.4 5.7 63.2 24.4 18 18 A S H 3<5S+ 0 0 104 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.691 105.9 53.9 -65.8 -20.9 5.5 66.9 25.0 19 19 A Q T <<5S- 0 0 114 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.457 124.9-101.1 -89.1 -9.6 8.2 67.5 22.3 20 20 A G T < 5S+ 0 0 56 -3,-1.7 2,-0.8 -4,-0.4 -3,-0.2 0.464 83.6 128.1 100.1 5.4 6.2 65.6 19.7 21 21 A Y < + 0 0 74 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.2 -0.849 16.1 142.2 -95.9 107.5 8.2 62.3 20.0 22 22 A T S S- 0 0 24 -2,-0.8 65,-2.5 63,-0.1 66,-0.5 0.310 73.7 -91.2-130.3 5.2 5.7 59.5 20.5 23 23 A G > + 0 0 0 210,-0.3 3,-2.0 1,-0.2 66,-0.4 0.524 59.8 175.5 97.9 8.9 7.0 56.5 18.5 24 24 A S T 3 + 0 0 56 1,-0.3 -1,-0.2 64,-0.2 64,-0.2 -0.272 67.0 7.2 -54.2 137.9 5.1 57.3 15.3 25 25 A N T 3 S+ 0 0 145 62,-0.7 2,-0.5 1,-0.2 -1,-0.3 0.602 94.5 125.5 70.9 6.3 5.9 54.9 12.4 26 26 A V < - 0 0 9 -3,-2.0 63,-2.8 61,-0.2 2,-0.6 -0.950 55.7-139.7 -97.0 132.0 8.0 52.5 14.6 27 27 A K E -a 89 0A 68 -2,-0.5 94,-2.0 91,-0.2 93,-2.0 -0.786 20.5-173.8 -93.2 121.1 6.8 48.9 14.4 28 28 A V E -ab 90 121A 0 61,-3.0 63,-2.7 -2,-0.6 2,-0.6 -0.979 10.9-151.8-116.6 122.9 6.9 47.2 17.7 29 29 A A E -ab 91 122A 0 92,-2.8 94,-2.9 -2,-0.5 2,-0.9 -0.872 1.1-156.8 -93.0 126.1 6.1 43.4 17.9 30 30 A V E -ab 92 123A 0 61,-3.1 63,-2.4 -2,-0.6 2,-0.9 -0.861 9.4-163.4 -97.5 99.5 4.7 42.1 21.2 31 31 A I E +ab 93 124A 0 92,-2.5 94,-0.5 -2,-0.9 63,-0.2 -0.783 51.7 87.9 -89.9 103.8 5.6 38.4 21.1 32 32 A D E S-a 94 0A 0 61,-2.5 63,-3.3 -2,-0.9 64,-1.5 -0.627 94.5 -34.3-167.1-153.7 3.2 37.1 23.7 33 33 A S S S- 0 0 1 1,-0.4 28,-0.4 61,-0.2 29,-0.4 0.222 93.6 -94.3 -82.6 12.9 -0.3 35.8 24.3 34 34 A G - 0 0 0 59,-0.3 -1,-0.4 -4,-0.3 2,-0.4 -0.482 40.0 -96.9 98.0 174.0 -1.9 38.0 21.6 35 35 A I - 0 0 0 22,-2.0 2,-0.9 -2,-0.2 57,-0.1 -0.944 23.8-118.7-136.4 142.3 -3.5 41.4 22.0 36 36 A D > - 0 0 18 -2,-0.4 3,-1.5 1,-0.2 23,-0.2 -0.557 26.4-170.0 -78.7 103.9 -7.2 42.2 22.3 37 37 A S T 3 S+ 0 0 57 21,-1.3 7,-0.3 -2,-0.9 -1,-0.2 0.676 79.1 68.6 -74.8 -6.9 -7.6 44.4 19.3 38 38 A S T 3 + 0 0 87 20,-0.4 -1,-0.3 5,-0.1 -2,-0.1 0.538 69.8 115.6 -89.0 -1.9 -11.1 45.4 20.5 39 39 A H X - 0 0 3 -3,-1.5 3,-1.9 1,-0.2 169,-0.0 -0.434 65.1-140.9 -71.2 131.9 -9.8 47.4 23.4 40 40 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 39,-0.1 0.678 99.1 55.5 -63.0 -23.8 -10.7 51.0 23.0 41 41 A D T 3 S+ 0 0 0 33,-0.1 34,-2.5 36,-0.0 2,-0.3 0.298 102.7 63.4 -95.1 8.2 -7.3 52.1 24.4 42 42 A L < - 0 0 8 -3,-1.9 2,-0.4 32,-0.2 32,-0.1 -0.947 57.6-160.1-129.8 152.6 -5.2 50.1 21.9 43 43 A K - 0 0 159 -2,-0.3 47,-0.7 30,-0.3 2,-0.5 -0.951 14.4-160.6-129.3 112.0 -4.7 50.2 18.1 44 44 A V E -c 90 0A 27 -2,-0.4 47,-0.2 -7,-0.3 3,-0.1 -0.839 7.4-169.0 -96.6 130.2 -3.3 47.0 16.7 45 45 A A E - 0 0 57 45,-2.8 2,-0.3 -2,-0.5 46,-0.2 0.679 57.2 -60.3 -84.0 -33.3 -1.7 47.3 13.2 46 46 A G E +c 91 0A 18 44,-0.9 46,-2.3 11,-0.0 2,-0.3 -0.953 57.4 155.8 174.4-161.3 -1.2 43.6 12.4 47 47 A G E -c 92 0A 23 44,-0.3 2,-0.3 -2,-0.3 46,-0.2 -0.951 29.5-112.8 136.3-163.1 0.5 40.5 13.5 48 48 A A E -c 93 0A 20 44,-2.3 46,-2.2 -2,-0.3 2,-0.5 -0.931 15.5-120.6-166.1 150.6 0.2 36.7 13.3 49 49 A S E +c 94 0A 30 6,-0.3 46,-0.2 -2,-0.3 44,-0.1 -0.938 18.5 179.0-106.4 133.1 -0.5 33.6 15.4 50 50 A M + 0 0 36 44,-3.3 45,-0.1 -2,-0.5 5,-0.1 0.236 55.7 103.2-105.1 0.4 2.0 30.8 15.7 51 51 A V B > -J 54 0B 4 3,-0.5 3,-1.2 43,-0.4 45,-0.1 -0.871 66.0-147.4 -91.6 121.9 -0.1 28.8 18.1 52 52 A P T 3 S+ 0 0 93 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.835 95.4 41.9 -55.9 -41.7 -1.7 25.9 16.2 53 53 A S T 3 S+ 0 0 104 1,-0.2 2,-0.4 -3,-0.1 -2,-0.0 0.473 112.7 53.9 -87.6 -5.9 -4.9 25.8 18.3 54 54 A E B < +J 51 0B 33 -3,-1.2 -3,-0.5 1,-0.1 -1,-0.2 -0.808 60.5 170.9-135.4 87.8 -5.4 29.6 18.5 55 55 A T + 0 0 122 -2,-0.4 -6,-0.3 -3,-0.2 -1,-0.1 0.530 55.1 78.7 -77.4 -16.4 -5.4 31.0 15.0 56 56 A N > - 0 0 68 1,-0.1 3,-1.1 -8,-0.1 -1,-0.1 -0.908 56.0-167.6-100.2 118.8 -6.5 34.6 15.8 57 57 A P T 3 S+ 0 0 14 0, 0.0 -22,-2.0 0, 0.0 -1,-0.1 0.655 84.4 65.2 -75.4 -11.3 -3.7 36.8 17.1 58 58 A F T 3 S+ 0 0 65 -24,-0.2 -21,-1.3 -22,-0.1 2,-0.5 0.137 84.9 81.5-101.4 12.8 -6.2 39.5 18.1 59 59 A Q < - 0 0 99 -3,-1.1 2,-0.7 -23,-0.2 -23,-0.1 -0.998 62.5-166.2-117.4 116.2 -7.9 37.4 20.7 60 60 A D + 0 0 11 -2,-0.5 -26,-0.1 -26,-0.2 -24,-0.1 -0.907 13.6 172.5-106.9 99.8 -6.0 37.3 24.0 61 61 A N S S+ 0 0 84 -2,-0.7 -1,-0.1 -28,-0.4 -27,-0.1 0.518 80.1 44.9 -82.3 -4.8 -7.4 34.5 26.1 62 62 A N S S- 0 0 50 -29,-0.4 -1,-0.1 34,-0.1 36,-0.1 0.885 91.7-138.5-101.7 -56.1 -4.7 34.9 28.7 63 63 A S S > S+ 0 0 19 -30,-0.1 4,-1.8 -29,-0.1 5,-0.2 -0.067 76.4 100.4 118.3 -23.6 -4.6 38.7 29.3 64 64 A H H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.919 80.2 47.7 -59.8 -45.5 -0.8 38.9 29.5 65 65 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.829 110.5 52.3 -69.4 -33.6 -0.1 40.1 25.9 66 66 A T H > S+ 0 0 0 2,-0.2 4,-1.8 3,-0.1 142,-0.4 0.871 110.1 49.7 -69.1 -33.3 -2.8 42.8 26.1 67 67 A H H X S+ 0 0 0 -4,-1.8 4,-1.3 2,-0.2 141,-0.4 0.975 112.3 46.0 -71.4 -42.2 -1.2 44.1 29.4 68 68 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.3 3,-0.3 0.885 110.7 54.5 -64.5 -45.4 2.3 44.2 27.9 69 69 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.3 0.878 103.8 55.6 -55.3 -39.6 1.0 45.9 24.8 70 70 A G H X S+ 0 0 1 -4,-1.8 4,-2.3 -3,-0.3 -1,-0.2 0.799 104.4 52.6 -65.0 -35.9 -0.7 48.7 26.9 71 71 A T H < S+ 0 0 7 -4,-1.3 13,-2.7 -3,-0.3 -1,-0.2 0.906 115.2 42.2 -65.9 -40.8 2.6 49.6 28.5 72 72 A V H < S- 0 0 0 -4,-1.8 13,-3.1 11,-0.2 -2,-0.2 0.911 138.4 -2.5 -65.2 -51.2 4.2 49.9 25.1 73 73 A A H < + 0 0 2 -4,-2.8 -30,-0.3 11,-0.2 -3,-0.2 0.136 65.0 157.2-143.6 28.1 1.4 51.8 23.4 74 74 A A < - 0 0 0 -4,-2.3 9,-2.5 1,-0.1 -32,-0.2 -0.383 56.9 -98.0 -56.8 141.2 -1.9 52.6 25.1 75 75 A L - 0 0 49 -34,-2.5 2,-0.8 7,-0.2 4,-0.2 -0.283 21.3-120.4 -69.8 151.3 -3.3 55.5 23.2 76 76 A N S S+ 0 0 104 10,-0.2 2,-0.2 -3,-0.1 6,-0.1 -0.771 71.3 104.3 -87.7 104.3 -3.0 59.1 24.2 77 77 A N S S- 0 0 57 -2,-0.8 -75,-0.2 2,-0.3 -36,-0.0 -0.737 86.1 -68.3-157.7-154.4 -6.7 60.1 24.5 78 78 A S S S+ 0 0 92 -2,-0.2 2,-0.3 -77,-0.1 -2,-0.1 0.242 103.5 60.4-106.7 18.1 -9.3 60.8 27.2 79 79 A I S S- 0 0 63 -4,-0.2 -2,-0.3 2,-0.2 -77,-0.2 -0.906 92.6 -6.0-132.3 168.1 -9.6 57.2 28.6 80 80 A G S S- 0 0 12 -79,-0.4 -77,-2.7 -2,-0.3 2,-0.2 -0.325 94.6 -42.3 64.0-135.3 -7.6 54.5 30.2 81 81 A V - 0 0 5 -79,-0.2 2,-0.4 -2,-0.1 -4,-0.3 -0.431 52.6-112.8-120.7-168.6 -3.9 54.8 30.6 82 82 A L - 0 0 10 -2,-0.2 -7,-0.2 -6,-0.1 -74,-0.1 -0.989 23.0-139.0-140.0 131.3 -1.0 56.0 28.4 83 83 A G - 0 0 0 -9,-2.5 -11,-0.2 -2,-0.4 -10,-0.2 -0.348 26.5-110.4 -83.9 173.9 1.8 53.9 26.9 84 84 A V S S+ 0 0 0 -13,-2.7 -11,-0.2 1,-0.3 -12,-0.2 0.861 118.3 23.5 -68.9 -40.6 5.5 54.8 26.6 85 85 A A S > S+ 0 0 0 -13,-3.1 3,-2.0 -14,-0.2 -1,-0.3 -0.726 75.1 176.5-128.5 73.7 5.2 55.2 22.8 86 86 A P T 3 S+ 0 0 4 0, 0.0 -10,-0.2 0, 0.0 -63,-0.2 0.636 78.1 48.9 -59.5 -17.8 1.5 55.9 22.2 87 87 A S T 3 S+ 0 0 56 -65,-2.5 -62,-0.7 -12,-0.1 -64,-0.2 0.302 82.5 124.9-102.2 -0.6 1.9 56.3 18.5 88 88 A A S < S- 0 0 11 -3,-2.0 2,-0.8 -66,-0.5 -61,-0.2 -0.302 70.7-112.1 -57.5 150.6 3.9 53.2 17.8 89 89 A S E -a 27 0A 36 -63,-2.8 -61,-3.0 -66,-0.4 2,-0.5 -0.783 40.3-151.5 -85.4 112.0 2.6 50.6 15.2 90 90 A L E -ac 28 44A 1 -2,-0.8 -45,-2.8 -47,-0.7 -44,-0.9 -0.777 13.4-169.4 -95.8 126.9 1.7 47.7 17.5 91 91 A Y E -ac 29 46A 41 -63,-2.7 -61,-3.1 -2,-0.5 2,-0.7 -0.938 14.5-143.5-117.4 137.4 1.8 44.1 16.2 92 92 A A E -ac 30 47A 0 -46,-2.3 -44,-2.3 -2,-0.4 2,-0.7 -0.855 16.1-178.1 -97.6 109.6 0.5 41.1 18.0 93 93 A V E -ac 31 48A 0 -63,-2.4 -61,-2.5 -2,-0.7 2,-0.7 -0.932 17.4-154.0-108.1 102.4 2.7 38.0 17.5 94 94 A K E +ac 32 49A 1 -46,-2.2 -44,-3.3 -2,-0.7 -43,-0.4 -0.694 37.8 145.1 -82.4 112.9 0.8 35.3 19.4 95 95 A V + 0 0 0 -63,-3.3 2,-0.4 -2,-0.7 -62,-0.2 0.365 57.1 67.9-125.3 -3.9 3.2 32.6 20.6 96 96 A L S S- 0 0 12 -64,-1.5 6,-0.2 6,-0.1 -34,-0.1 -0.959 72.7-137.0-118.9 143.1 1.6 31.7 23.9 97 97 A G > - 0 0 6 4,-2.6 3,-2.2 -2,-0.4 -2,-0.1 -0.061 43.4 -76.8 -88.2-176.4 -1.8 30.0 24.4 98 98 A A T 3 S+ 0 0 45 1,-0.3 -65,-0.1 2,-0.1 -1,-0.0 0.817 130.8 56.8 -52.9 -32.4 -4.6 30.7 26.9 99 99 A D T 3 S- 0 0 122 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.515 115.7-115.3 -81.8 -7.0 -2.6 29.1 29.7 100 100 A G S < S+ 0 0 31 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.528 80.6 107.5 81.5 18.3 0.3 31.5 29.1 101 101 A S + 0 0 63 -68,-0.0 -4,-2.6 0, 0.0 -1,-0.3 -0.758 41.7 178.2-117.6 163.3 2.8 28.8 27.9 102 102 A G - 0 0 21 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.1 -0.977 31.3-102.0-157.5 159.0 4.1 28.0 24.5 103 103 A Q > - 0 0 122 -2,-0.3 4,-2.0 -8,-0.2 3,-0.5 -0.544 32.4-119.9 -79.2 151.4 6.5 25.7 22.7 104 104 A Y H > S+ 0 0 64 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.858 113.7 61.1 -60.6 -38.5 10.0 27.0 21.7 105 105 A S H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.904 105.4 47.4 -53.8 -45.1 9.1 26.2 18.1 106 106 A W H > S+ 0 0 56 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.904 112.5 48.2 -65.3 -44.5 6.2 28.7 18.3 107 107 A I H X S+ 0 0 13 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.916 113.7 46.8 -61.7 -47.0 8.3 31.4 19.9 108 108 A I H X S+ 0 0 22 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.875 109.0 53.9 -65.1 -37.5 11.1 31.0 17.4 109 109 A N H X S+ 0 0 89 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.873 108.0 53.2 -59.6 -40.9 8.7 31.0 14.5 110 110 A G H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.846 107.5 48.8 -62.7 -42.9 7.4 34.3 15.9 111 111 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.932 111.4 50.0 -62.0 -47.5 10.9 35.8 16.0 112 112 A E H X S+ 0 0 73 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.920 108.9 53.3 -56.4 -40.7 11.4 34.8 12.4 113 113 A W H X S+ 0 0 49 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.949 107.2 51.5 -58.4 -45.5 8.0 36.3 11.5 114 114 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 -1,-0.2 0.861 110.0 47.8 -63.3 -37.6 9.1 39.6 13.1 115 115 A I H ><5S+ 0 0 17 -4,-2.0 3,-1.8 3,-0.2 -1,-0.2 0.966 111.8 50.5 -66.4 -44.2 12.4 39.8 11.1 116 116 A A H 3<5S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.783 111.2 49.0 -66.9 -24.8 10.6 39.0 7.8 117 117 A N T 3<5S- 0 0 67 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.228 113.8-116.4-105.6 16.3 8.0 41.7 8.5 118 118 A N T < 5 - 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