==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 03-FEB-10 3LNV . COMPND 2 MOLECULE: SAFRAMYCIN MX1 SYNTHETASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CENTE . 566 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 31 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 1 2 2 1 0 4 2 1 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 2 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 2 1 3 2 2 0 0 1 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 2 1 1 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 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 0 A S 0 0 111 0, 0.0 199,-0.1 0, 0.0 198,-0.1 0.000 360.0 360.0 360.0 150.0 -0.6 34.2 50.1 2 1 A L - 0 0 21 1,-0.1 2,-0.1 188,-0.1 224,-0.1 -0.370 360.0-112.3 -66.6 141.5 0.8 31.2 51.9 3 2 A K >> - 0 0 111 1,-0.1 4,-1.9 -2,-0.1 3,-1.5 -0.361 26.7-111.8 -68.1 152.0 -1.0 30.3 55.1 4 3 A K H 3> S+ 0 0 146 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.854 115.1 62.2 -53.0 -39.2 1.0 30.7 58.4 5 4 A E H 34 S+ 0 0 77 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.794 108.4 43.0 -64.8 -24.3 1.1 27.0 59.0 6 5 A Y H X4 S+ 0 0 15 -3,-1.5 3,-1.1 2,-0.2 -1,-0.2 0.844 109.8 55.4 -85.9 -35.8 3.1 26.6 55.7 7 6 A L H 3< S+ 0 0 92 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.825 104.0 58.0 -61.8 -28.7 5.3 29.5 56.4 8 7 A Q T 3< S+ 0 0 118 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.644 80.8 107.7 -81.4 -13.6 6.2 27.9 59.7 9 8 A C < - 0 0 21 -3,-1.1 3,-0.1 -4,-0.2 -3,-0.0 -0.381 60.3-150.8 -66.6 143.8 7.5 24.7 58.1 10 9 A Q S S+ 0 0 114 1,-0.1 2,-0.3 147,-0.1 -1,-0.1 0.490 74.7 25.7 -97.3 -6.7 11.3 24.4 58.2 11 10 A S S > S- 0 0 1 1,-0.1 4,-1.9 174,-0.1 3,-0.3 -0.993 77.0-114.3-150.0 159.2 11.7 22.3 55.0 12 11 A L H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.839 116.6 63.0 -57.5 -32.6 9.9 21.6 51.7 13 12 A V H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.942 103.7 44.6 -57.4 -50.7 9.4 18.1 53.1 14 13 A D H > S+ 0 0 72 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.869 111.0 55.0 -64.1 -35.6 7.3 19.4 56.0 15 14 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.945 110.7 45.0 -58.4 -49.9 5.3 21.7 53.6 16 15 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.906 111.7 52.2 -66.3 -38.4 4.4 18.7 51.4 17 16 A R H X S+ 0 0 97 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.902 111.0 48.4 -61.4 -40.4 3.5 16.5 54.4 18 17 A L H X S+ 0 0 37 -4,-2.1 4,-2.5 2,-0.2 3,-0.3 0.907 111.5 47.5 -70.0 -42.0 1.2 19.2 55.6 19 18 A R H X S+ 0 0 20 -4,-2.3 4,-2.6 1,-0.2 7,-0.2 0.852 109.5 54.9 -65.8 -34.4 -0.5 19.8 52.3 20 19 A A H < S+ 0 0 11 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.805 113.3 43.1 -66.5 -26.9 -0.9 16.0 51.9 21 20 A L H < S+ 0 0 126 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.887 123.5 33.5 -82.4 -43.9 -2.7 16.0 55.3 22 21 A H H < S+ 0 0 107 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.764 136.9 18.0 -89.9 -27.7 -4.9 19.1 54.8 23 22 A S >< + 0 0 30 -4,-2.6 3,-1.8 -5,-0.3 19,-0.4 -0.366 69.6 158.3-141.0 57.8 -5.6 18.9 51.1 24 23 A P T 3 S+ 0 0 33 0, 0.0 19,-2.4 0, 0.0 20,-0.4 0.826 76.6 45.9 -54.6 -34.7 -4.8 15.3 50.1 25 24 A N T 3 S+ 0 0 124 17,-0.2 2,-0.3 16,-0.1 -5,-0.1 0.375 80.8 119.7 -96.4 5.2 -7.0 15.4 47.0 26 25 A K < - 0 0 77 -3,-1.8 16,-1.9 -7,-0.2 2,-0.2 -0.558 69.8-119.5 -68.3 128.0 -5.9 18.8 45.7 27 26 A K E +A 41 0A 37 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.525 38.4 170.9 -67.8 133.2 -4.3 18.4 42.2 28 27 A S E + 0 0 0 12,-3.3 202,-2.5 1,-0.4 2,-0.4 0.815 55.8 17.3-112.0 -59.4 -0.7 19.5 42.2 29 28 A C E -Ab 40 230A 0 11,-1.6 11,-1.9 200,-0.2 2,-0.4 -0.947 52.1-170.0-125.0 145.3 1.0 18.6 39.0 30 29 A T E -Ab 39 231A 3 200,-2.0 202,-2.4 -2,-0.4 2,-0.4 -0.997 8.5-161.4-129.7 128.8 -0.1 17.6 35.5 31 30 A F E -Ab 38 232A 34 7,-2.6 7,-2.2 -2,-0.4 2,-0.5 -0.942 9.9-147.2-113.0 137.6 2.2 16.3 32.9 32 31 A L E -A 37 0A 5 200,-2.9 2,-0.5 -2,-0.4 202,-0.4 -0.885 16.7-179.9-108.5 130.9 1.3 16.4 29.2 33 32 A N E > -A 36 0A 102 3,-2.1 3,-2.9 -2,-0.5 2,-0.3 -0.944 67.6 -62.1-126.2 106.4 2.3 13.8 26.6 34 33 A K T 3 S- 0 0 170 -2,-0.5 203,-0.0 1,-0.3 0, 0.0 -0.374 121.0 -16.1 50.9-111.0 0.8 14.7 23.3 35 34 A E T 3 S+ 0 0 150 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.442 118.7 100.3 -99.6 -0.1 -2.9 14.5 23.9 36 35 A L E < -A 33 0A 106 -3,-2.9 -3,-2.1 2,-0.0 2,-0.4 -0.607 55.6-156.1 -93.9 148.9 -2.6 12.6 27.1 37 36 A E E -A 32 0A 90 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.973 7.8-173.7-126.5 127.7 -2.9 14.0 30.6 38 37 A E E -A 31 0A 127 -7,-2.2 -7,-2.6 -2,-0.4 2,-0.3 -0.996 11.7-166.7-123.6 135.5 -1.4 12.6 33.8 39 38 A T E -A 30 0A 63 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.834 11.1-163.9-124.6 155.6 -2.2 14.2 37.2 40 39 A X E -A 29 0A 4 -11,-1.9 -12,-3.3 -2,-0.3 -11,-1.6 -0.993 7.7-155.6-143.5 129.1 -0.9 14.0 40.7 41 40 A T E > -A 27 0A 24 -2,-0.4 4,-2.6 -14,-0.3 -14,-0.2 -0.542 36.8-103.7 -95.2 166.4 -2.5 15.1 44.0 42 41 A Y H > S+ 0 0 0 -16,-1.9 4,-2.6 -19,-0.4 5,-0.2 0.889 122.8 55.8 -55.2 -40.7 -0.6 16.0 47.1 43 42 A E H > S+ 0 0 92 -19,-2.4 4,-2.2 -20,-0.2 -1,-0.2 0.902 110.3 45.7 -60.9 -41.0 -1.6 12.7 48.7 44 43 A Q H > S+ 0 0 81 -20,-0.4 4,-2.6 2,-0.2 5,-0.3 0.917 111.8 49.6 -69.6 -43.7 -0.1 10.9 45.7 45 44 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.949 113.5 47.6 -58.0 -49.7 3.2 13.0 45.7 46 45 A D H X S+ 0 0 8 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.920 112.9 48.0 -57.7 -45.9 3.6 12.4 49.5 47 46 A Q H X S+ 0 0 71 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.951 113.0 46.3 -65.6 -49.1 2.9 8.6 49.2 48 47 A H H X S+ 0 0 51 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.917 111.1 54.4 -54.3 -43.6 5.3 8.1 46.3 49 48 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.3 -2,-0.2 0.906 110.4 46.1 -56.1 -45.7 8.0 10.2 48.2 50 49 A K H X S+ 0 0 36 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.907 112.7 49.2 -66.0 -43.9 7.7 8.0 51.2 51 50 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.885 114.3 46.5 -62.8 -37.7 7.8 4.8 49.2 52 51 A I H X S+ 0 0 6 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.927 113.3 47.7 -72.7 -42.3 10.9 6.2 47.4 53 52 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.888 109.1 55.1 -61.6 -38.2 12.6 7.3 50.6 54 53 A A H X S+ 0 0 7 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.905 108.3 48.7 -64.4 -39.8 11.8 3.9 52.2 55 54 A T H X S+ 0 0 5 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.925 109.9 50.2 -65.9 -46.8 13.6 2.2 49.3 56 55 A L H <>S+ 0 0 2 -4,-2.3 5,-2.7 1,-0.2 -2,-0.2 0.931 112.7 48.6 -58.2 -44.6 16.6 4.5 49.5 57 56 A Q H ><5S+ 0 0 46 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.953 110.7 49.4 -59.7 -48.0 16.7 3.7 53.2 58 57 A A H 3<5S+ 0 0 81 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.840 107.9 55.7 -61.4 -31.7 16.4 -0.1 52.6 59 58 A E T 3<5S- 0 0 120 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.392 125.9-100.7 -83.0 4.8 19.2 0.1 50.1 60 59 A G T < 5 + 0 0 42 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.583 68.1 151.4 92.1 11.6 21.5 1.7 52.7 61 60 A A < - 0 0 4 -5,-2.7 -1,-0.3 -6,-0.2 28,-0.1 -0.615 25.8-163.1 -77.9 136.8 21.4 5.4 51.8 62 61 A K > - 0 0 130 -2,-0.3 3,-2.3 1,-0.1 25,-0.1 -0.809 34.8 -76.5-116.5 156.1 21.9 7.7 54.8 63 62 A P T 3 S+ 0 0 86 0, 0.0 26,-0.3 0, 0.0 25,-0.1 -0.244 120.5 29.7 -52.5 135.2 21.2 11.4 55.2 64 63 A G T 3 S+ 0 0 32 24,-2.7 25,-0.1 1,-0.4 24,-0.1 0.071 89.0 125.1 99.0 -24.0 23.8 13.5 53.4 65 64 A D < - 0 0 39 -3,-2.3 25,-3.0 23,-0.1 -1,-0.4 -0.374 62.7-121.5 -64.8 144.4 24.4 10.8 50.7 66 65 A R E -g 90 0B 39 48,-0.4 50,-2.1 47,-0.3 51,-0.7 -0.740 22.6-163.1 -86.7 140.5 23.9 12.1 47.1 67 66 A V E -gh 91 117B 0 23,-2.7 25,-2.5 -2,-0.4 2,-0.3 -0.985 13.8-138.1-124.0 123.0 21.4 10.3 44.9 68 67 A L E -gh 92 118B 0 49,-2.3 51,-3.3 -2,-0.5 2,-0.5 -0.564 14.6-163.3 -79.9 139.4 21.6 10.8 41.2 69 68 A L E -gh 93 119B 0 23,-2.7 25,-3.1 -2,-0.3 2,-1.3 -0.975 17.0-145.5-124.3 116.5 18.4 11.3 39.2 70 69 A L E -g 94 0B 0 49,-2.3 2,-2.7 -2,-0.5 51,-0.3 -0.690 30.1-141.9 -74.0 96.9 18.3 10.9 35.4 71 70 A F + 0 0 2 23,-3.1 140,-0.1 -2,-1.3 -1,-0.1 -0.280 29.8 172.9 -79.2 67.2 15.7 13.7 35.0 72 71 A A - 0 0 14 -2,-2.7 5,-0.4 23,-0.1 2,-0.0 -0.542 48.3-103.5 -58.0 124.8 13.4 12.5 32.3 73 72 A P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 161,-0.1 -0.335 79.5 80.9 -62.0 132.4 10.7 15.2 32.3 74 73 A G S > S- 0 0 10 1,-0.1 4,-0.9 159,-0.1 159,-0.0 -0.925 90.7 -72.1 158.3 178.6 7.6 13.9 34.0 75 74 A L H > S+ 0 0 10 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.833 117.3 63.6 -72.0 -34.3 5.9 13.2 37.3 76 75 A P H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.921 103.2 47.4 -59.8 -43.3 8.1 10.2 38.2 77 76 A L H > S+ 0 0 1 -5,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.838 110.3 53.2 -69.3 -27.1 11.2 12.3 38.4 78 77 A I H X S+ 0 0 4 -4,-0.9 4,-2.1 2,-0.2 5,-0.2 0.926 109.5 48.6 -69.1 -43.6 9.3 14.9 40.5 79 78 A Q H X S+ 0 0 25 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.906 111.0 51.7 -54.6 -43.6 8.3 12.1 42.9 80 79 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.879 105.9 54.0 -63.8 -41.5 11.9 10.9 42.9 81 80 A F H X S+ 0 0 2 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.954 113.2 41.3 -60.2 -51.1 13.2 14.4 43.8 82 81 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.885 109.5 60.5 -62.9 -36.4 10.9 14.7 46.9 83 82 A G H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.915 104.3 49.2 -58.4 -44.3 11.7 11.0 47.7 84 83 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-0.7 0.923 111.6 48.6 -55.9 -50.6 15.4 11.9 48.1 85 84 A L H ><5S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.900 106.7 56.9 -57.8 -39.7 14.5 14.9 50.3 86 85 A Y H 3<5S+ 0 0 1 -4,-2.9 69,-0.5 1,-0.3 -1,-0.2 0.774 109.5 46.2 -65.7 -22.7 12.2 12.7 52.4 87 86 A A T <<5S- 0 0 1 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.373 115.7-114.2 -96.8 1.1 15.2 10.4 53.1 88 87 A G T < 5S+ 0 0 15 -3,-1.6 -24,-2.7 -4,-0.3 2,-0.2 0.661 72.1 138.4 71.8 14.0 17.5 13.3 53.9 89 88 A C < - 0 0 2 -5,-2.4 2,-0.7 -26,-0.3 -1,-0.3 -0.628 60.7-113.0 -90.5 155.8 19.6 12.5 50.8 90 89 A I E -g 66 0B 7 -25,-3.0 -23,-2.7 -2,-0.2 74,-0.3 -0.769 32.5-137.6 -90.6 111.6 20.9 15.2 48.5 91 90 A A E -gi 67 164B 0 72,-1.9 74,-2.8 -2,-0.7 -23,-0.2 -0.487 14.7-165.2 -68.2 142.2 19.2 14.9 45.2 92 91 A V E -g 68 0B 0 -25,-2.5 -23,-2.7 72,-0.2 2,-0.3 -0.781 9.2-165.6-129.7 87.6 21.4 15.3 42.1 93 92 A P E +g 69 0B 6 0, 0.0 74,-0.4 0, 0.0 2,-0.4 -0.559 11.2 178.4 -75.2 129.4 19.1 15.9 39.0 94 93 A I E -g 70 0B 6 -25,-3.1 -23,-3.1 -2,-0.3 -2,-0.0 -0.993 36.4-106.4-132.5 148.0 20.7 15.5 35.6 95 94 A Y - 0 0 71 -2,-0.4 -23,-0.1 -25,-0.2 3,-0.1 -0.437 47.4-112.1 -54.7 125.3 19.6 15.8 32.0 96 95 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 -0.520 45.2 -94.1 -64.6 134.0 19.4 12.2 30.8 97 96 A P - 0 0 14 0, 0.0 6,-0.1 0, 0.0 427,-0.1 -0.248 28.3-140.1 -56.0 128.4 22.2 12.0 28.1 98 97 A A S S+ 0 0 16 426,-0.2 2,-0.4 425,-0.2 426,-0.1 0.875 87.7 38.7 -55.2 -44.6 20.9 12.6 24.6 99 98 A Q S > S- 0 0 67 3,-0.3 3,-1.8 425,-0.1 -1,-0.1 -0.932 84.3-125.9-116.2 133.5 23.0 9.9 23.0 100 99 A E T 3 S+ 0 0 103 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.816 108.2 36.1 -38.6 -46.8 23.7 6.5 24.7 101 100 A K T 3 S+ 0 0 188 1,-0.2 2,-1.1 2,-0.0 -1,-0.3 0.424 92.6 88.3 -99.5 1.1 27.5 6.8 24.3 102 101 A L < + 0 0 83 -3,-1.8 -3,-0.3 1,-0.2 4,-0.2 -0.677 48.3 135.7 -98.0 80.3 28.0 10.5 24.9 103 102 A L > + 0 0 40 -2,-1.1 4,-2.9 1,-0.1 5,-0.2 0.354 24.5 110.3-109.6 0.9 28.3 10.2 28.7 104 103 A D H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.825 81.3 47.7 -52.4 -44.5 31.2 12.5 29.6 105 104 A K H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.952 114.3 46.6 -63.6 -49.9 29.2 15.2 31.3 106 105 A A H > S+ 0 0 7 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.929 111.1 53.6 -56.6 -46.3 27.3 12.7 33.4 107 106 A Q H X S+ 0 0 61 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.900 107.4 50.2 -56.3 -45.3 30.6 11.0 34.3 108 107 A R H X S+ 0 0 64 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.933 112.5 47.4 -59.9 -43.8 32.1 14.2 35.5 109 108 A I H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.922 111.6 50.5 -63.1 -43.6 29.0 14.8 37.6 110 109 A V H X S+ 0 0 8 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.942 111.3 48.3 -57.7 -45.5 29.1 11.3 39.0 111 110 A T H < S+ 0 0 78 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.866 115.6 45.1 -65.9 -33.4 32.8 11.6 39.9 112 111 A N H < S+ 0 0 24 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.958 121.2 33.6 -73.8 -51.5 32.2 14.9 41.6 113 112 A S H < S- 0 0 0 -4,-2.6 -47,-0.3 -5,-0.2 -2,-0.2 0.665 86.6-150.3 -84.7 -18.5 29.1 14.2 43.6 114 113 A K < - 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