==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-OCT-12 3VYV . COMPND 2 MOLECULE: SUBTILISIN NAT; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. NATTO; . AUTHOR H.USHIJIMA,N.FUCHITA,T.KAJIWARA,H.MOTOSHIMA,G.UENO,K.WATANAB . 550 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 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 . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 40 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 2 0 2 0 0 4 0 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 4 2 2 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 . 8 0 0 0 2 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 . 2 0 0 0 0 0 0 0 2 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 0 124 0, 0.0 79,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 156.5 24.1 -3.7 -0.4 2 2 A Q - 0 0 52 77,-0.2 2,-0.3 75,-0.2 79,-0.2 -0.824 360.0-157.0 -99.2 143.7 25.9 -1.8 2.4 3 3 A S - 0 0 72 77,-2.8 79,-0.1 -2,-0.4 76,-0.0 -0.891 13.1-137.4-113.9 149.5 24.6 1.4 3.9 4 4 A V - 0 0 60 -2,-0.3 5,-0.1 77,-0.2 77,-0.1 -0.916 27.5-129.5-104.1 106.5 26.8 4.0 5.7 5 5 A P >> - 0 0 15 0, 0.0 3,-1.3 0, 0.0 4,-1.1 -0.255 21.8-114.5 -56.5 147.9 24.8 5.2 8.8 6 6 A Y H 3> S+ 0 0 68 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.818 111.6 61.2 -56.5 -36.9 24.6 8.9 9.0 7 7 A G H 3> S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.836 97.1 58.2 -64.9 -30.6 26.7 9.1 12.2 8 8 A I H <4>S+ 0 0 3 -3,-1.3 5,-1.8 1,-0.2 -1,-0.2 0.933 113.3 39.9 -60.5 -44.9 29.8 7.6 10.5 9 9 A S H ><5S+ 0 0 63 -4,-1.1 3,-1.6 1,-0.2 -2,-0.2 0.874 108.6 62.0 -70.5 -35.5 29.7 10.4 8.0 10 10 A Q H 3<5S+ 0 0 33 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.860 105.1 46.2 -67.5 -30.2 28.9 13.0 10.5 11 11 A I T 3<5S- 0 0 0 -4,-1.7 259,-2.6 -5,-0.2 260,-0.6 0.455 116.7-115.9 -90.3 1.2 32.1 12.4 12.5 12 12 A K T X>5 + 0 0 88 -3,-1.6 4,-0.8 257,-0.2 3,-0.7 0.705 65.7 145.8 73.0 31.0 34.1 12.5 9.2 13 13 A A H >>< + 0 0 0 -5,-1.8 4,-2.0 1,-0.2 3,-0.8 0.878 63.5 65.2 -62.4 -37.1 35.2 8.8 9.4 14 14 A P H 3> S+ 0 0 43 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.844 93.5 61.4 -61.6 -25.6 35.1 8.4 5.6 15 15 A A H <> S+ 0 0 27 -3,-0.7 4,-1.3 1,-0.2 -2,-0.2 0.903 106.5 45.9 -62.8 -41.5 37.9 10.9 5.1 16 16 A L H S+ 0 0 0 -4,-0.8 5,-2.6 -3,-0.8 4,-0.6 0.930 110.3 52.9 -65.4 -46.8 40.2 8.7 7.1 17 17 A H H ><5S+ 0 0 36 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.911 108.2 51.5 -55.9 -41.1 39.0 5.6 5.1 18 18 A S H 3<5S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 105.0 55.5 -67.1 -31.8 39.9 7.4 1.9 19 19 A Q H 3<5S- 0 0 83 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.547 127.9-101.2 -69.5 -14.9 43.4 8.2 3.3 20 20 A G T <<5S+ 0 0 57 -3,-1.3 2,-0.5 -4,-0.6 -3,-0.2 0.573 83.7 126.0 101.4 15.9 43.8 4.4 3.8 21 21 A Y < + 0 0 81 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.2 -0.931 12.7 147.4-117.1 121.5 43.1 4.4 7.6 22 22 A T S S- 0 0 35 -2,-0.5 65,-2.6 63,-0.1 66,-0.6 0.178 74.1 -87.4-135.5 9.4 40.5 2.0 8.8 23 23 A G > + 0 0 0 210,-0.3 3,-2.1 1,-0.2 66,-0.4 0.593 60.6 177.7 90.2 11.8 41.8 1.0 12.3 24 24 A S T 3 + 0 0 60 1,-0.3 -1,-0.2 64,-0.2 64,-0.2 -0.233 68.2 5.2 -56.2 133.0 43.9 -2.0 11.2 25 25 A N T 3 S+ 0 0 136 62,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.368 94.3 128.3 77.0 0.5 45.8 -3.6 14.1 26 26 A V < - 0 0 7 -3,-2.1 63,-2.5 61,-0.1 2,-0.6 -0.751 54.6-138.7 -90.4 129.4 44.1 -1.5 16.8 27 27 A K E -a 89 0A 60 -2,-0.5 93,-2.4 91,-0.2 94,-1.8 -0.802 21.1-174.3 -96.4 117.5 42.6 -3.6 19.5 28 28 A V E -ab 90 121A 0 61,-3.1 63,-2.3 -2,-0.6 2,-0.6 -0.962 11.0-154.4-119.3 117.4 39.2 -2.4 20.8 29 29 A A E -ab 91 122A 0 92,-2.8 94,-2.8 -2,-0.5 2,-0.9 -0.831 3.9-154.7 -91.7 120.2 37.5 -4.0 23.8 30 30 A V E -ab 92 123A 0 61,-2.8 63,-2.3 -2,-0.6 2,-0.9 -0.873 10.3-163.6 -92.1 102.2 33.7 -3.7 23.8 31 31 A I E +a 93 0A 0 92,-2.3 94,-0.5 -2,-0.9 2,-0.2 -0.812 51.9 85.8 -92.4 99.8 33.0 -4.0 27.5 32 32 A D E S-a 94 0A 1 61,-2.1 63,-2.7 -2,-0.9 64,-1.7 -0.679 94.9 -34.8-167.6-149.2 29.3 -4.8 27.4 33 33 A S S S- 0 0 0 1,-0.3 28,-0.4 61,-0.2 29,-0.4 0.147 95.3 -85.9 -90.2 17.6 26.8 -7.6 27.0 34 34 A G - 0 0 0 59,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.426 41.5-101.7 104.9 178.5 28.8 -9.7 24.6 35 35 A I - 0 0 0 22,-1.9 2,-1.2 -2,-0.1 57,-0.1 -0.984 24.9-120.8-139.8 132.0 29.1 -9.5 20.8 36 36 A D > - 0 0 16 -2,-0.4 3,-1.7 1,-0.2 23,-0.2 -0.564 28.5-170.3 -69.7 99.8 27.3 -12.0 18.5 37 37 A S T 3 S+ 0 0 52 21,-1.6 7,-0.3 -2,-1.2 -1,-0.2 0.643 77.4 66.5 -74.6 -8.3 30.4 -13.3 16.8 38 38 A S T 3 S+ 0 0 86 20,-0.4 -1,-0.3 5,-0.1 -2,-0.1 0.550 70.1 119.3 -85.8 -6.7 28.3 -15.1 14.1 39 39 A H X - 0 0 2 -3,-1.7 3,-1.9 1,-0.2 169,-0.0 -0.392 64.6-140.3 -63.2 128.8 27.1 -11.8 12.7 40 40 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 39,-0.1 0.725 99.8 55.3 -65.7 -16.3 28.2 -11.7 9.0 41 41 A D T 3 S+ 0 0 0 33,-0.1 34,-2.6 36,-0.0 2,-0.3 0.303 102.8 67.0-100.1 14.7 29.0 -7.9 9.4 42 42 A L < - 0 0 10 -3,-1.9 2,-0.5 32,-0.2 32,-0.1 -0.962 58.1-159.5-131.6 148.9 31.4 -8.4 12.3 43 43 A N - 0 0 74 -2,-0.3 47,-0.8 30,-0.3 2,-0.5 -0.937 13.4-168.6-125.0 103.7 34.7 -10.0 12.9 44 44 A V E -c 90 0A 21 -2,-0.5 47,-0.2 -7,-0.3 3,-0.1 -0.850 4.7-171.4 -94.4 119.6 35.3 -10.7 16.6 45 45 A R E - 0 0 130 45,-2.9 2,-0.3 -2,-0.5 46,-0.2 0.627 59.7 -41.8 -88.3 -17.1 39.0 -11.7 17.2 46 46 A G E +c 91 0A 13 44,-0.8 46,-2.3 11,-0.1 2,-0.3 -0.967 59.0 164.5 172.2-171.6 38.7 -12.8 20.9 47 47 A G E -c 92 0A 18 -2,-0.3 2,-0.3 44,-0.3 46,-0.2 -0.974 21.9-127.0 158.9-175.9 37.1 -12.0 24.2 48 48 A A E -c 93 0A 17 44,-2.2 46,-2.0 -2,-0.3 2,-0.5 -0.931 14.7-131.8-167.2 140.7 36.2 -13.2 27.6 49 49 A S E +c 94 0A 29 6,-0.3 46,-0.2 -2,-0.3 44,-0.1 -0.915 18.9 175.7-103.5 137.0 33.1 -13.4 29.8 50 50 A F + 0 0 53 44,-3.3 45,-0.1 -2,-0.5 59,-0.1 0.087 54.3 105.6-119.8 18.1 33.0 -12.3 33.4 51 51 A V > - 0 0 3 3,-0.5 3,-1.7 43,-0.3 45,-0.1 -0.873 62.8-151.4 -97.8 113.1 29.2 -12.9 33.8 52 52 A P T 3 S+ 0 0 95 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.889 94.0 46.7 -58.5 -34.7 29.0 -16.1 35.9 53 53 A S T 3 S+ 0 0 93 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.483 114.6 47.8 -80.1 -12.5 25.6 -17.2 34.3 54 54 A E < + 0 0 24 -3,-1.7 -3,-0.5 1,-0.1 -1,-0.2 -0.758 60.0 172.2-134.6 83.1 26.7 -16.5 30.7 55 55 A T + 0 0 125 -2,-0.3 -6,-0.3 -3,-0.2 -1,-0.1 0.537 59.5 82.5 -77.1 -5.9 30.1 -18.1 30.1 56 56 A N > - 0 0 75 1,-0.1 3,-0.9 -8,-0.1 -1,-0.1 -0.873 52.0-176.7-101.7 108.5 30.1 -17.4 26.3 57 57 A P T 3 S+ 0 0 10 0, 0.0 -22,-1.9 0, 0.0 -1,-0.1 0.592 79.8 68.9 -74.9 -14.2 31.2 -13.8 25.5 58 58 A Y T 3 S+ 0 0 78 -24,-0.2 -21,-1.6 -22,-0.1 -20,-0.4 0.199 90.2 70.2 -93.7 12.9 30.4 -14.4 21.8 59 59 A Q < - 0 0 79 -3,-0.9 2,-0.5 -23,-0.2 -24,-0.1 -0.978 65.7-163.1-125.4 143.6 26.7 -14.6 22.3 60 60 A D + 0 0 9 -2,-0.4 -26,-0.1 -26,-0.2 -24,-0.1 -0.933 15.6 176.1-134.8 106.6 24.7 -11.5 23.2 61 61 A G S S+ 0 0 42 -2,-0.5 -1,-0.1 -28,-0.4 37,-0.1 0.523 84.2 50.0 -83.8 -13.0 21.2 -11.9 24.7 62 62 A S S S- 0 0 21 -29,-0.4 -1,-0.1 34,-0.1 36,-0.1 0.843 90.6-141.7 -88.1 -44.6 20.8 -8.1 25.3 63 63 A S S > S+ 0 0 13 -30,-0.2 4,-2.2 -29,-0.1 5,-0.2 0.013 75.6 100.9 98.5 -22.5 21.8 -6.8 21.8 64 64 A H H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.932 79.6 46.9 -63.2 -46.5 23.6 -3.8 23.2 65 65 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 113.5 49.4 -63.5 -38.6 27.2 -5.1 22.9 66 66 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 142,-0.3 0.903 111.8 48.6 -67.0 -39.6 26.5 -6.2 19.3 67 67 A H H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 141,-0.4 0.946 113.1 46.6 -65.9 -47.4 25.0 -2.9 18.3 68 68 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.934 109.6 55.7 -60.1 -43.5 27.9 -0.9 19.9 69 69 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.886 104.9 52.3 -58.5 -41.1 30.4 -3.3 18.2 70 70 A G H X S+ 0 0 1 -4,-1.8 4,-2.1 138,-0.3 -1,-0.2 0.846 105.7 53.5 -67.9 -32.7 28.9 -2.6 14.8 71 71 A T H < S+ 0 0 4 -4,-1.6 13,-2.7 -3,-0.3 14,-0.2 0.920 115.6 41.8 -66.4 -37.2 29.3 1.2 15.2 72 72 A I H < S- 0 0 0 -4,-2.1 13,-3.1 11,-0.2 -2,-0.2 0.928 139.6 -3.4 -69.1 -46.9 32.9 0.7 16.0 73 73 A A H < + 0 0 2 -4,-2.7 -30,-0.3 10,-0.2 -3,-0.2 0.144 66.1 159.8-150.0 25.1 33.8 -1.9 13.4 74 74 A A < - 0 0 0 -4,-2.1 9,-2.7 -5,-0.1 -32,-0.2 -0.306 55.3 -99.6 -53.7 137.8 31.0 -3.2 11.1 75 75 A L - 0 0 50 -34,-2.6 2,-0.8 7,-0.2 4,-0.2 -0.243 20.5-120.2 -70.3 148.3 32.9 -4.6 8.1 76 76 A N S S+ 0 0 114 10,-0.3 2,-0.2 -3,-0.1 -1,-0.1 -0.777 71.7 103.1 -84.4 106.1 33.4 -2.9 4.8 77 77 A N S S- 0 0 54 -2,-0.8 -75,-0.2 2,-0.3 -36,-0.0 -0.723 86.8 -62.2-161.5-157.1 31.7 -5.3 2.4 78 78 A S S S+ 0 0 88 -2,-0.2 2,-0.3 -77,-0.1 -2,-0.1 0.329 104.4 57.7 -95.1 7.7 28.5 -5.9 0.4 79 79 A I S S- 0 0 56 -4,-0.2 -2,-0.3 2,-0.2 -77,-0.2 -0.861 91.8 -11.9-135.5 159.5 26.1 -6.0 3.4 80 80 A G S S- 0 0 15 -79,-0.5 -77,-2.8 -2,-0.3 2,-0.1 -0.187 92.6 -33.7 68.6-131.1 24.8 -4.3 6.4 81 81 A V - 0 0 8 -79,-0.2 2,-0.4 -40,-0.1 -4,-0.3 -0.395 52.3-115.1-119.1-165.7 26.4 -1.1 7.7 82 82 A L - 0 0 13 -2,-0.1 -7,-0.2 -79,-0.1 -74,-0.1 -0.991 24.0-136.3-142.6 127.9 30.0 0.3 8.0 83 83 A G - 0 0 0 -9,-2.7 -11,-0.2 -2,-0.4 -10,-0.2 -0.322 24.4-113.7 -78.5 165.9 31.9 0.9 11.2 84 84 A V S S+ 0 0 0 -13,-2.7 -11,-0.2 1,-0.3 -12,-0.2 0.903 119.3 22.7 -56.6 -43.6 33.9 3.9 12.1 85 85 A A S > S+ 0 0 0 -13,-3.1 3,-2.3 -14,-0.2 -1,-0.3 -0.733 76.0 176.5-127.5 73.2 37.0 1.7 12.1 86 86 A P T 3 S+ 0 0 8 0, 0.0 -10,-0.3 0, 0.0 -63,-0.2 0.638 79.2 48.0 -68.8 -10.7 36.0 -1.3 9.9 87 87 A S T 3 S+ 0 0 46 -65,-2.6 -62,-0.6 -12,-0.1 -64,-0.2 0.357 84.2 124.3-102.7 2.7 39.4 -3.0 10.1 88 88 A A < - 0 0 7 -3,-2.3 2,-0.7 -66,-0.6 -64,-0.2 -0.276 69.4-112.3 -63.1 151.7 39.8 -2.7 13.9 89 89 A S E -a 27 0A 7 -63,-2.5 -61,-3.1 -66,-0.4 2,-0.4 -0.763 37.1-152.8 -84.2 114.0 40.4 -5.8 16.0 90 90 A L E -ac 28 44A 1 -47,-0.8 -45,-2.9 -2,-0.7 -44,-0.8 -0.760 11.9-168.7 -96.8 135.9 37.2 -6.3 18.0 91 91 A Y E -ac 29 46A 35 -63,-2.3 -61,-2.8 -2,-0.4 2,-0.8 -0.982 17.1-139.8-127.1 130.3 37.1 -8.1 21.4 92 92 A A E -ac 30 47A 0 -46,-2.3 -44,-2.2 -2,-0.4 2,-0.8 -0.802 21.1-179.6 -91.2 105.1 34.0 -9.2 23.2 93 93 A V E -ac 31 48A 0 -63,-2.3 -61,-2.1 -2,-0.8 2,-0.8 -0.872 14.7-157.1-109.4 93.8 34.4 -8.5 26.9 94 94 A K E +ac 32 49A 0 -46,-2.0 -44,-3.3 -2,-0.8 -43,-0.3 -0.673 38.5 140.7 -83.5 112.5 31.2 -9.6 28.4 95 95 A V + 0 0 0 -63,-2.7 2,-0.4 -2,-0.8 -62,-0.2 0.353 60.8 65.3-126.2 -3.6 30.5 -7.9 31.8 96 96 A L S S- 0 0 8 -64,-1.7 6,-0.2 6,-0.1 -45,-0.1 -0.945 75.8-133.9-119.9 144.7 26.7 -7.4 31.4 97 97 A D > - 0 0 31 4,-2.8 3,-2.5 -2,-0.4 -2,-0.1 -0.146 44.2 -76.8 -86.5-172.6 24.1 -10.2 31.2 98 98 A S T 3 S+ 0 0 57 1,-0.3 -1,-0.1 2,-0.1 -65,-0.1 0.654 129.9 61.4 -65.6 -14.6 21.2 -10.5 28.7 99 99 A T T 3 S- 0 0 100 2,-0.2 -1,-0.3 -37,-0.0 3,-0.1 0.524 116.4-113.7 -83.6 -8.5 19.3 -7.9 30.7 100 100 A G S < S+ 0 0 21 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.614 82.3 103.6 84.9 14.7 22.0 -5.3 30.0 101 101 A S + 0 0 65 -4,-0.1 -4,-2.8 25,-0.1 -1,-0.3 -0.846 41.4 171.0-127.5 161.8 23.1 -5.0 33.6 102 102 A G - 0 0 24 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.1 -0.987 34.0 -94.9-161.6 161.3 26.0 -6.3 35.6 103 103 A Q > - 0 0 118 -2,-0.3 4,-2.0 -8,-0.2 3,-0.4 -0.550 34.4-119.7 -77.7 153.0 27.9 -6.2 38.9 104 104 A Y H > S+ 0 0 57 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.892 114.6 60.6 -64.1 -30.5 30.8 -3.9 39.4 105 105 A S H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 105.5 47.5 -59.0 -43.7 33.0 -6.9 40.1 106 106 A W H > S+ 0 0 44 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.920 113.3 47.5 -64.7 -45.0 32.2 -8.3 36.6 107 107 A I H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.927 112.0 49.9 -60.9 -45.3 33.0 -4.9 35.0 108 108 A I H X S+ 0 0 28 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.923 108.7 52.4 -61.4 -43.6 36.2 -4.5 36.9 109 109 A N H X S+ 0 0 78 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.902 109.5 50.5 -60.9 -39.5 37.3 -8.1 35.9 110 110 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.898 109.8 49.0 -64.1 -42.9 36.6 -7.1 32.2 111 111 A I H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.925 109.8 52.1 -63.6 -41.9 38.7 -4.0 32.5 112 112 A E H X S+ 0 0 60 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.910 108.3 51.7 -58.4 -42.5 41.5 -6.0 34.1 113 113 A W H X S+ 0 0 46 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.905 107.3 53.1 -58.8 -44.2 41.3 -8.5 31.2 114 114 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 -1,-0.2 0.887 111.1 46.1 -60.2 -39.2 41.6 -5.6 28.7 115 115 A I H ><5S+ 0 0 23 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.952 113.1 49.0 -64.9 -49.8 44.7 -4.3 30.4 116 116 A S H 3<5S+ 0 0 87 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.769 112.4 49.2 -61.8 -32.8 46.3 -7.8 30.6 117 117 A N T 3<5S- 0 0 65 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.237 112.9-116.2 -97.6 16.7 45.5 -8.4 26.9 118 118 A N T < 5 - 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