==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-DEC-02 1NDU . COMPND 2 MOLECULE: SUBTILISIN SAVINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LENTUS; . AUTHOR X.PAN,R.BOTT,C.E.GLATZ . 269 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.2 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 . 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 . 18 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 24.5 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 2 1 1 0 0 0 1 1 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 4 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 0 124 0, 0.0 2,-0.4 0, 0.0 77,-0.4 0.000 360.0 360.0 360.0 141.4 -12.1 -22.1 20.1 2 2 A Q - 0 0 52 75,-0.2 2,-0.4 73,-0.2 77,-0.2 -0.764 360.0-157.6 -92.3 136.3 -8.4 -23.2 20.3 3 3 A S - 0 0 50 75,-3.0 77,-0.1 -2,-0.4 74,-0.0 -0.888 11.1-140.1-109.2 145.1 -7.4 -26.6 18.9 4 4 A V - 0 0 63 -2,-0.4 5,-0.1 75,-0.2 75,-0.1 -0.908 25.5-131.3-103.7 108.5 -4.3 -28.6 19.8 5 5 A P >> - 0 0 13 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.248 21.9-113.4 -57.1 147.9 -2.7 -30.1 16.7 6 6 A W H 3> S+ 0 0 58 1,-0.3 4,-2.6 192,-0.2 5,-0.1 0.835 114.2 54.2 -57.2 -36.1 -2.0 -33.8 17.0 7 7 A G H 3> S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.867 102.8 55.8 -70.6 -32.7 1.8 -33.3 16.9 8 8 A I H <4>S+ 0 0 3 -3,-0.9 5,-2.0 1,-0.2 -1,-0.2 0.914 113.0 42.8 -61.7 -43.2 1.8 -30.8 19.7 9 9 A S H ><5S+ 0 0 62 -4,-1.6 3,-1.6 3,-0.2 -2,-0.2 0.890 109.7 58.6 -65.9 -41.0 0.1 -33.5 21.9 10 10 A R H 3<5S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.885 107.0 45.5 -61.5 -38.6 2.4 -36.2 20.5 11 11 A V T 3<5S- 0 0 0 -4,-2.1 253,-2.9 -5,-0.1 254,-0.6 0.444 114.0-125.0 -85.3 3.9 5.5 -34.5 21.7 12 12 A Q T X>5 + 0 0 75 -3,-1.6 4,-1.2 252,-0.2 3,-0.5 0.788 55.4 153.9 62.9 35.0 3.7 -33.9 25.0 13 13 A A H 3>< + 0 0 0 -5,-2.0 4,-2.4 1,-0.2 3,-0.2 0.884 64.6 63.7 -61.7 -36.3 4.1 -30.1 25.1 14 14 A P H 3> S+ 0 0 41 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.866 97.9 57.3 -60.6 -31.0 0.9 -29.6 27.2 15 15 A A H <> S+ 0 0 33 -3,-0.5 4,-0.8 1,-0.2 -2,-0.2 0.923 108.4 46.4 -60.4 -42.0 2.5 -31.5 30.1 16 16 A A H ><>S+ 0 0 0 -4,-1.2 5,-2.4 -3,-0.2 3,-0.8 0.915 109.0 54.4 -69.3 -35.5 5.4 -29.1 30.0 17 17 A H H ><5S+ 0 0 25 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.888 103.5 57.1 -62.1 -32.8 3.0 -26.2 29.9 18 18 A N H 3<5S+ 0 0 145 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.669 101.1 56.4 -71.8 -18.8 1.3 -27.6 33.0 19 19 A R T <<5S- 0 0 108 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.422 126.8-103.1 -84.6 0.1 4.7 -27.4 34.8 20 20 A G T < 5S+ 0 0 47 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.638 80.8 133.4 86.1 20.2 4.8 -23.7 33.9 21 21 A L < + 0 0 22 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.898 7.8 142.7-109.9 118.8 7.2 -24.0 31.0 22 22 A T S S- 0 0 21 -2,-0.6 63,-2.6 61,-0.1 64,-0.6 0.341 74.1 -93.6-134.4 4.0 6.2 -22.2 27.9 23 23 A G > + 0 0 0 1,-0.2 3,-2.0 203,-0.2 64,-0.3 0.489 62.5 170.8 92.0 7.3 9.4 -20.8 26.4 24 24 A S T 3 + 0 0 66 1,-0.3 -1,-0.2 62,-0.2 62,-0.2 -0.198 66.6 14.2 -49.8 135.4 9.1 -17.4 28.1 25 25 A G T 3 S+ 0 0 43 60,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.524 97.0 123.7 75.8 4.4 12.3 -15.3 27.8 26 26 A V < - 0 0 3 -3,-2.0 61,-3.3 59,-0.2 2,-0.5 -0.892 54.4-142.6-106.0 130.6 13.7 -17.5 25.1 27 27 A K E -a 87 0A 69 -2,-0.5 91,-2.1 89,-0.2 92,-1.6 -0.798 19.8-175.3 -95.3 122.4 14.7 -15.9 21.7 28 28 A V E -ab 88 119A 0 59,-3.3 61,-2.5 -2,-0.5 2,-0.5 -0.981 11.0-154.5-125.8 118.1 13.9 -18.1 18.7 29 29 A A E -ab 89 120A 0 90,-2.8 92,-3.5 -2,-0.5 2,-0.7 -0.799 2.5-156.2 -94.3 128.1 14.9 -17.1 15.1 30 30 A V E -ab 90 121A 2 59,-2.9 61,-2.7 -2,-0.5 2,-0.9 -0.923 5.8-163.6-101.8 106.0 12.9 -18.6 12.3 31 31 A L E +ab 91 122A 0 90,-2.4 92,-0.5 -2,-0.7 2,-0.2 -0.827 50.7 94.1 -90.4 103.9 15.1 -18.5 9.2 32 32 A D E S-a 92 0A 0 59,-1.9 61,-2.3 -2,-0.9 62,-2.0 -0.703 93.0 -43.5-163.6-152.0 12.5 -19.0 6.4 33 33 A T S S- 0 0 1 1,-0.3 26,-0.8 -2,-0.2 27,-0.3 0.328 95.9 -89.1 -84.3 6.4 10.2 -17.1 3.9 34 34 A G - 0 0 1 57,-0.3 2,-0.3 24,-0.2 -1,-0.3 -0.581 38.5 -95.7 116.0 178.9 9.2 -14.6 6.6 35 35 A I - 0 0 0 21,-2.5 2,-0.3 -2,-0.2 55,-0.1 -0.943 31.0-144.2-139.1 123.1 6.5 -14.5 9.2 36 36 A S - 0 0 11 -2,-0.3 21,-0.1 21,-0.2 -2,-0.0 -0.619 31.2 -95.4 -86.0 142.6 3.2 -12.7 8.6 37 38 A T + 0 0 104 -2,-0.3 169,-0.4 2,-0.1 168,-0.3 -0.242 54.7 171.9 -46.7 134.5 1.2 -10.8 11.2 38 39 A H > - 0 0 7 3,-0.4 3,-2.2 167,-0.1 5,-0.1 -0.982 45.9-122.6-157.0 138.3 -1.4 -13.2 12.6 39 40 A P T 3 S+ 0 0 70 0, 0.0 38,-0.1 0, 0.0 -2,-0.1 0.713 115.4 48.9 -61.3 -19.9 -3.9 -13.1 15.5 40 41 A D T 3 S+ 0 0 0 32,-0.0 33,-2.3 35,-0.0 2,-0.3 0.152 106.9 67.7-105.2 16.5 -2.3 -16.3 16.9 41 42 A L < - 0 0 11 -3,-2.2 2,-0.4 31,-0.2 -3,-0.4 -0.966 57.3-159.3-133.6 156.9 1.2 -15.0 16.6 42 43 A N - 0 0 84 -2,-0.3 46,-0.7 29,-0.3 2,-0.6 -0.976 13.3-165.6-128.4 111.2 3.4 -12.4 18.3 43 44 A I E -c 88 0A 48 -2,-0.4 46,-0.2 1,-0.1 3,-0.1 -0.888 7.1-171.8-104.4 125.6 6.5 -11.4 16.3 44 45 A R E - 0 0 123 44,-2.4 2,-0.3 -2,-0.6 45,-0.2 0.645 58.1 -55.3 -88.4 -14.8 9.1 -9.5 18.3 45 46 A G E +c 89 0A 29 43,-0.8 45,-3.0 11,-0.0 2,-0.3 -0.989 54.9 169.6 165.0-167.3 11.4 -8.5 15.4 46 47 A G E -c 90 0A 31 -2,-0.3 2,-0.3 43,-0.3 45,-0.2 -0.954 21.7-118.0 154.1-177.2 13.5 -9.8 12.6 47 48 A A E -c 91 0A 21 43,-1.8 45,-2.6 -2,-0.3 2,-0.4 -0.966 15.6-131.7-156.2 155.5 15.6 -9.0 9.5 48 49 A S E +c 92 0A 30 -2,-0.3 45,-0.2 6,-0.2 8,-0.1 -0.960 18.9 174.7-117.8 136.0 15.5 -9.8 5.8 49 50 A F + 0 0 48 43,-3.0 44,-0.1 -2,-0.4 58,-0.1 0.169 49.6 111.1-119.8 15.5 18.4 -11.0 3.7 50 51 A V S > S- 0 0 21 3,-0.5 3,-2.3 42,-0.3 44,-0.1 -0.797 76.2-117.0 -90.4 119.9 16.5 -11.5 0.5 51 52 A P T 3 S+ 0 0 120 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.326 98.9 8.1 -52.7 126.2 17.6 -9.0 -2.2 52 53 A G T 3 S+ 0 0 78 1,-0.1 3,-0.1 -2,-0.1 -3,-0.0 0.692 108.4 91.3 71.2 16.5 14.6 -6.9 -3.0 53 54 A E < + 0 0 50 -3,-2.3 -3,-0.5 39,-0.1 39,-0.1 -0.632 46.3 165.2-133.8 77.9 12.3 -8.3 -0.2 54 55 A P + 0 0 125 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 0.553 51.5 75.5 -75.4 -12.2 13.2 -5.8 2.5 55 56 A S S S- 0 0 61 1,-0.1 -8,-0.1 2,-0.1 37,-0.0 -0.565 74.6-136.4 -95.5 168.0 10.2 -6.6 4.8 56 57 A T + 0 0 33 -2,-0.2 -21,-2.5 -8,-0.1 -1,-0.1 0.395 65.0 119.8-102.1 2.4 10.0 -9.8 7.0 57 59 A Q S S- 0 0 78 -23,-0.2 2,-0.7 1,-0.1 -21,-0.2 -0.253 70.2-108.9 -65.0 160.7 6.4 -10.5 6.1 58 60 A D + 0 0 11 -24,-0.2 -24,-0.2 1,-0.1 -1,-0.1 -0.769 34.1 174.9 -99.8 115.7 5.7 -13.8 4.4 59 61 A G S S+ 0 0 58 -26,-0.8 -1,-0.1 -2,-0.7 -25,-0.1 0.405 84.2 42.7 -97.4 7.8 4.8 -14.0 0.8 60 62 A N S S- 0 0 58 -27,-0.3 -1,-0.1 38,-0.0 -26,-0.1 0.771 91.2-132.5-114.5 -55.4 4.9 -17.8 0.7 61 63 A G S > S+ 0 0 0 -27,-0.1 4,-2.1 -28,-0.1 5,-0.2 -0.069 81.2 97.9 120.1 -29.9 3.2 -19.2 3.8 62 64 A H H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.931 84.2 46.5 -55.3 -53.4 5.9 -21.7 4.8 63 65 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 111.4 50.9 -61.3 -41.5 7.6 -19.5 7.4 64 66 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 138,-0.3 0.890 111.7 49.1 -61.9 -39.1 4.3 -18.4 9.1 65 67 A H H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 137,-0.4 0.964 111.8 47.2 -66.5 -50.8 3.3 -22.1 9.3 66 68 A V H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 3,-0.2 0.901 110.1 54.9 -54.4 -44.5 6.6 -23.1 10.8 67 69 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.851 104.6 53.2 -59.2 -40.8 6.4 -20.2 13.3 68 70 A G H X S+ 0 0 1 -4,-1.8 4,-2.2 134,-0.2 -1,-0.2 0.822 102.7 56.7 -68.8 -31.1 3.0 -21.3 14.6 69 71 A T H < S+ 0 0 5 -4,-1.5 13,-2.2 -3,-0.2 -1,-0.2 0.922 114.2 40.9 -67.3 -34.8 4.3 -24.8 15.4 70 72 A I H < S- 0 0 0 -4,-1.3 13,-3.3 11,-0.2 -2,-0.2 0.929 139.5 -1.0 -71.6 -48.4 6.9 -23.2 17.6 71 73 A A H < + 0 0 4 -4,-2.8 -29,-0.3 10,-0.2 -3,-0.2 0.053 65.6 159.1-147.4 32.0 4.9 -20.5 19.2 72 74 A A < - 0 0 0 -4,-2.2 9,-2.6 1,-0.1 -31,-0.2 -0.418 57.5 -97.7 -54.9 138.0 1.2 -20.1 18.3 73 75 A L - 0 0 33 -33,-2.3 2,-1.0 7,-0.2 4,-0.2 -0.215 23.7-121.7 -70.4 145.4 -0.3 -18.2 21.2 74 76 A N S S+ 0 0 93 10,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.734 70.9 100.9 -86.5 100.4 -2.1 -20.0 24.1 75 77 A N S S- 0 0 59 -2,-1.0 -73,-0.2 2,-0.4 -35,-0.0 -0.628 87.4 -60.1-155.8-152.4 -5.5 -18.3 24.0 76 78 A S S S+ 0 0 96 -2,-0.2 2,-0.3 -75,-0.1 -2,-0.1 0.333 104.6 53.6 -94.8 4.5 -9.1 -18.8 22.8 77 79 A I S S- 0 0 64 -4,-0.2 -2,-0.4 2,-0.2 -75,-0.2 -0.864 92.1 -4.1-134.9 166.7 -8.4 -19.2 19.0 78 80 A G S S- 0 0 14 -77,-0.4 -75,-3.0 -2,-0.3 2,-0.2 -0.213 93.5 -42.1 65.0-131.1 -6.4 -21.0 16.4 79 81 A V - 0 0 2 -77,-0.2 2,-0.3 -75,-0.1 -4,-0.3 -0.444 53.4-110.8-125.5-163.8 -3.8 -23.6 17.5 80 82 A L - 0 0 8 -2,-0.2 -7,-0.2 -77,-0.1 -72,-0.1 -0.995 20.8-134.4-143.9 133.5 -1.1 -23.8 20.1 81 83 A G - 0 0 0 -9,-2.6 -11,-0.2 -2,-0.3 -10,-0.2 -0.300 25.1-117.3 -77.9 161.1 2.8 -23.8 19.8 82 84 A V S S+ 0 0 0 -13,-2.2 -11,-0.2 1,-0.3 -12,-0.2 0.894 119.4 23.8 -63.0 -37.0 5.2 -26.1 21.6 83 85 A A S > S+ 0 0 0 -13,-3.3 3,-2.1 -14,-0.2 -1,-0.3 -0.734 76.2 178.2-129.4 78.9 6.5 -22.9 23.3 84 86 A P T 3 S+ 0 0 1 0, 0.0 -10,-0.2 0, 0.0 -61,-0.2 0.642 79.9 46.9 -66.0 -13.5 3.6 -20.4 23.1 85 87 A N T 3 S+ 0 0 75 -63,-2.6 -60,-0.5 -12,-0.1 -59,-0.2 0.337 81.5 127.0-108.0 9.2 5.5 -17.7 25.0 86 88 A A < - 0 0 7 -3,-2.1 2,-0.7 -64,-0.6 -59,-0.2 -0.271 68.5-112.1 -58.1 154.1 8.8 -17.9 23.1 87 89 A E E -a 27 0A 46 -61,-3.3 -59,-3.3 -64,-0.3 2,-0.4 -0.876 36.9-151.0 -90.9 108.3 10.1 -14.7 21.6 88 90 A L E -ac 28 43A 1 -2,-0.7 -44,-2.4 -46,-0.7 -43,-0.8 -0.707 13.6-170.6 -88.3 127.1 9.8 -15.1 17.8 89 91 A Y E -ac 29 45A 33 -61,-2.5 -59,-2.9 -2,-0.4 2,-0.8 -0.973 17.1-140.6-118.0 130.2 12.2 -13.4 15.3 90 92 A A E -ac 30 46A 0 -45,-3.0 -43,-1.8 -2,-0.5 2,-0.7 -0.798 20.5-179.2 -90.7 111.6 11.4 -13.4 11.6 91 93 A V E -ac 31 47A 0 -61,-2.7 -59,-1.9 -2,-0.8 2,-0.8 -0.913 16.0-152.3-114.9 100.7 14.6 -13.9 9.7 92 94 A K E +ac 32 48A 6 -45,-2.6 -43,-3.0 -2,-0.7 -42,-0.3 -0.655 38.5 144.2 -78.2 109.1 13.8 -13.9 6.0 93 95 A V + 0 0 0 -61,-2.3 8,-0.5 -2,-0.8 2,-0.4 0.432 59.7 63.4-118.2 -6.5 16.4 -15.9 4.1 94 96 A L B S-J 100 0B 10 -62,-2.0 6,-0.2 6,-0.2 -44,-0.1 -0.919 76.0-131.2-118.0 145.3 14.0 -17.4 1.5 95 97 A G > - 0 0 9 4,-2.9 3,-2.3 -2,-0.4 -2,-0.1 -0.279 40.8 -86.2 -83.4 178.2 12.0 -15.6 -1.2 96 98 A A T 3 S+ 0 0 45 1,-0.3 -63,-0.1 2,-0.1 -1,-0.1 0.734 125.5 63.6 -57.7 -28.4 8.3 -16.1 -2.0 97 99 A S T 3 S- 0 0 110 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.597 117.2-111.4 -75.5 -10.6 9.1 -19.0 -4.3 98 100 A G S < S+ 0 0 37 -3,-2.3 2,-0.3 1,-0.4 -2,-0.1 0.414 85.4 102.1 98.5 -3.0 10.5 -20.9 -1.3 99 101 A G + 0 0 37 25,-0.1 -4,-2.9 -66,-0.0 -1,-0.4 -0.774 37.7 158.7-113.5 158.8 14.0 -20.8 -2.5 100 102 A G B -J 94 0B 54 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.714 36.1 -89.8-148.8-154.1 17.0 -18.6 -1.5 101 103 A S > - 0 0 50 -8,-0.5 4,-2.2 -2,-0.2 3,-0.3 -0.901 27.9-115.2-125.2 159.3 20.8 -18.7 -1.6 102 104 A N H > S+ 0 0 48 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.850 118.0 57.9 -60.2 -28.5 23.6 -20.1 0.6 103 105 A S H > S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 106.2 45.5 -71.1 -35.9 24.6 -16.5 1.0 104 106 A S H > S+ 0 0 2 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.924 114.2 49.6 -70.5 -38.2 21.2 -15.3 2.4 105 107 A I H X S+ 0 0 8 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.933 111.0 49.1 -64.0 -45.1 21.0 -18.3 4.7 106 108 A A H X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.893 109.5 51.9 -63.5 -38.7 24.5 -17.7 6.0 107 109 A Q H X S+ 0 0 93 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.883 107.9 53.0 -63.4 -35.3 23.7 -14.0 6.6 108 110 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.901 109.3 48.3 -64.8 -42.7 20.6 -15.1 8.6 109 111 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.895 110.2 51.2 -66.7 -40.1 22.8 -17.3 10.8 110 112 A E H X S+ 0 0 67 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.919 110.4 50.1 -63.5 -40.9 25.3 -14.6 11.4 111 113 A W H X S+ 0 0 46 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.894 107.8 53.2 -59.8 -44.0 22.5 -12.2 12.4 112 114 A A H <>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 3,-0.3 0.923 112.2 44.2 -61.3 -40.6 21.0 -14.8 14.8 113 115 A G H ><5S+ 0 0 8 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.932 112.9 51.4 -69.9 -42.4 24.4 -15.2 16.5 114 116 A N H 3<5S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.636 111.6 48.1 -68.3 -17.3 25.0 -11.4 16.6 115 117 A N T 3<5S- 0 0 70 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.224 113.9-110.9-113.6 19.4 21.7 -10.8 18.1 116 118 A G T < 5 + 0 0 43 -3,-1.4 -89,-0.2 1,-0.2 -3,-0.2 0.790 49.9 172.7 60.0 37.5 21.8 -13.4 20.9 117 119 A M < - 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