==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-SEP-02 1MMF . COMPND 2 MOLECULE: GLYCEROL DEHYDRASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR D.I.LIAO,G.DOTSON,I.TURNER,L.REISS,M.EMPTAGE . 1735 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1200 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 79 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 230 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 614 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 2.5 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 5 2 2 3 6 12 0 8 5 5 6 6 5 0 1 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 5 8 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 PARALLEL BRIDGES PER LADDER . 8 6 2 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 0 1 1 2 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 1 A M 0 0 197 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-124.4 46.9 -33.7 2.4 2 2 A K - 0 0 129 2,-0.0 2,-0.2 1308,-0.0 0, 0.0 0.246 360.0-102.1 81.3 150.8 47.5 -30.1 3.5 3 3 A R - 0 0 183 1307,-0.0 2,-0.3 1,-0.0 3,-0.1 -0.641 31.9 -98.5-104.9 164.3 44.7 -27.7 4.3 4 4 A S > - 0 0 2 -2,-0.2 4,-1.0 1,-0.2 1307,-0.2 -0.638 17.2-150.8 -79.9 133.2 43.2 -24.9 2.3 5 5 A K H > S+ 0 0 93 1305,-2.8 4,-2.6 -2,-0.3 3,-0.4 0.863 98.0 64.4 -69.4 -32.8 44.5 -21.4 3.1 6 6 A R H > S+ 0 0 0 1304,-0.3 4,-1.5 1,-0.3 -1,-0.2 0.905 105.7 42.6 -54.1 -44.4 41.1 -20.1 2.0 7 7 A F H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.684 109.3 58.1 -78.3 -18.2 39.4 -22.0 4.9 8 8 A A H X S+ 0 0 42 -4,-1.0 4,-1.4 -3,-0.4 -2,-0.2 0.939 106.6 48.4 -74.4 -46.5 42.1 -21.0 7.4 9 9 A V H < S+ 0 0 22 -4,-2.6 3,-0.2 1,-0.2 4,-0.2 0.897 113.9 46.1 -58.1 -45.3 41.4 -17.3 6.8 10 10 A L H >< S+ 0 0 2 -4,-1.5 3,-2.9 -5,-0.2 6,-0.3 0.939 106.0 59.3 -64.7 -45.7 37.7 -17.8 7.2 11 11 A A H 3< S+ 0 0 63 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.823 104.2 52.4 -51.9 -32.3 38.2 -19.9 10.3 12 12 A Q T 3< S+ 0 0 144 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.501 83.3 123.3 -82.9 -5.4 39.9 -16.9 11.8 13 13 A R X - 0 0 38 -3,-2.9 3,-1.8 -4,-0.2 4,-0.1 -0.380 66.9-130.9 -62.0 129.7 36.9 -14.7 10.9 14 14 A P G > S+ 0 0 65 0, 0.0 3,-2.7 0, 0.0 4,-0.4 0.861 103.7 64.8 -47.1 -46.5 35.4 -12.9 14.0 15 15 A V G > S+ 0 0 1 1,-0.3 3,-1.4 326,-0.2 327,-0.1 0.815 88.8 69.9 -51.2 -30.2 31.8 -13.9 13.2 16 16 A N G < S+ 0 0 60 -3,-1.8 -1,-0.3 -6,-0.3 4,-0.1 0.428 88.3 65.9 -69.7 4.2 32.9 -17.5 13.8 17 17 A Q G < S+ 0 0 90 -3,-2.7 -1,-0.3 -4,-0.1 -2,-0.2 0.705 76.2 105.6 -94.8 -24.8 33.2 -16.6 17.5 18 18 A D S < S- 0 0 12 -3,-1.4 2,-1.0 -4,-0.4 687,-0.2 -0.289 80.4-114.7 -57.9 132.8 29.4 -16.0 17.9 19 19 A G + 0 0 24 685,-2.5 2,-0.3 320,-0.2 -1,-0.1 -0.581 45.0 170.5 -76.4 104.2 27.6 -18.8 19.7 20 20 A L - 0 0 25 -2,-1.0 1397,-0.8 -4,-0.1 2,-0.3 -0.832 6.3-177.9-110.4 153.1 25.2 -20.4 17.2 21 21 A I B -a 1417 0A 11 288,-1.6 1397,-0.2 -2,-0.3 1395,-0.1 -0.980 29.3-105.7-148.4 159.3 23.2 -23.6 17.9 22 22 A G - 0 0 10 1395,-2.2 2,-0.2 -2,-0.3 1395,-0.1 -0.342 57.3 -82.3 -76.0 166.2 20.8 -26.0 16.2 23 23 A E - 0 0 58 -2,-0.1 7,-0.2 1395,-0.1 -1,-0.1 -0.514 40.4-178.4 -78.5 140.8 17.2 -25.8 17.4 24 24 A W B > > +B 29 0B 50 5,-2.1 5,-2.4 -2,-0.2 3,-1.2 -0.728 1.5 178.9-137.0 81.1 16.1 -27.6 20.5 25 25 A P G > 5S+ 0 0 23 0, 0.0 3,-3.0 0, 0.0 5,-0.1 0.844 73.6 69.8 -51.0 -45.0 12.3 -27.1 20.9 26 26 A E G 3 5S+ 0 0 102 1,-0.3 248,-0.4 2,-0.1 246,-0.1 0.832 110.6 34.3 -45.3 -39.3 12.0 -29.1 24.1 27 27 A E G < 5S- 0 0 56 -3,-1.2 -1,-0.3 247,-0.1 243,-0.1 0.102 121.6-102.5-106.7 21.6 14.0 -26.5 26.0 28 28 A G T < 5S+ 0 0 0 -3,-3.0 2,-1.7 1,-0.2 249,-0.3 0.639 73.1 144.2 70.3 15.2 12.6 -23.5 24.0 29 29 A L B < +B 24 0B 2 -5,-2.4 -5,-2.1 247,-0.1 2,-0.3 -0.452 42.8 88.9 -87.8 66.5 15.7 -23.1 21.9 30 30 A I - 0 0 10 -2,-1.7 247,-2.3 245,-0.2 248,-0.2 -0.942 68.9-139.1-159.0 136.8 13.9 -22.1 18.7 31 31 A A S S+ 0 0 1 280,-0.4 247,-2.2 -2,-0.3 2,-0.3 0.919 75.8 8.0 -66.5 -50.3 12.9 -18.6 17.5 32 32 A M S S+ 0 0 25 1,-0.2 -1,-0.1 279,-0.2 245,-0.1 -0.860 112.7 8.8-136.4 170.7 9.5 -19.2 16.1 33 33 A D - 0 0 118 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.793 67.7-163.7 22.1 71.3 6.6 -21.6 15.6 34 34 A S > - 0 0 0 -4,-0.1 3,-1.9 1,-0.1 242,-0.1 -0.470 31.4-114.8 -72.0 148.1 7.9 -24.3 18.0 35 35 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 240,-0.1 0.686 118.8 52.3 -60.6 -11.7 6.2 -27.6 17.4 36 36 A F T 3 S+ 0 0 85 238,-0.3 239,-0.1 2,-0.0 -3,-0.1 0.494 79.7 111.8-100.5 -8.0 4.9 -27.1 21.0 37 37 A D S < S- 0 0 19 -3,-1.9 238,-0.0 1,-0.1 237,-0.0 -0.377 72.7-112.0 -63.8 146.7 3.4 -23.6 20.5 38 38 A P - 0 0 32 0, 0.0 2,-0.4 0, 0.0 16,-0.1 -0.246 24.3-105.5 -77.7 170.1 -0.4 -23.7 20.8 39 39 A V - 0 0 113 14,-0.1 74,-0.1 1,-0.1 73,-0.1 -0.776 43.3-103.7 -93.1 138.7 -2.9 -23.1 18.0 40 40 A S + 0 0 21 -2,-0.4 2,-0.3 72,-0.2 -1,-0.1 -0.375 60.0 136.8 -65.9 140.2 -4.6 -19.7 18.1 41 41 A S - 0 0 31 -2,-0.1 12,-2.8 14,-0.0 2,-0.3 -0.960 25.2-171.4-172.8 163.3 -8.2 -19.8 19.4 42 42 A V E -C 52 0C 24 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.978 3.7-172.8-163.5 154.3 -10.7 -18.1 21.7 43 43 A K E -C 51 0C 99 8,-1.5 7,-2.9 -2,-0.3 8,-1.3 -0.975 8.5-158.1-153.3 140.0 -14.2 -18.4 23.1 44 44 A V E -C 49 0C 31 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.979 8.2-178.3-128.1 136.6 -16.4 -16.1 25.2 45 45 A D E > S-C 48 0C 91 3,-2.0 3,-0.7 -2,-0.4 -2,-0.0 -0.976 77.3 -18.2-133.6 117.0 -19.3 -16.9 27.5 46 46 A N T 3 S- 0 0 144 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.871 130.6 -47.0 55.3 40.9 -21.2 -14.1 29.2 47 47 A G T 3 S+ 0 0 51 1,-0.1 2,-0.4 27,-0.1 -1,-0.2 0.689 116.5 106.3 78.2 19.2 -18.3 -11.6 28.7 48 48 A L E < S-C 45 0C 84 -3,-0.7 -3,-2.0 26,-0.1 2,-0.3 -0.974 74.0-121.1-135.3 122.1 -15.4 -13.8 29.8 49 49 A I E +C 44 0C 1 19,-0.5 -5,-0.3 -2,-0.4 3,-0.1 -0.432 32.7 179.2 -58.1 117.5 -12.9 -15.5 27.5 50 50 A V E + 0 0 47 -7,-2.9 7,-3.0 -2,-0.3 2,-0.3 0.515 66.7 34.1-101.9 -9.0 -13.5 -19.1 28.5 51 51 A E E -CD 43 56C 57 -8,-1.3 -8,-1.5 5,-0.3 2,-0.4 -0.988 64.1-174.8-146.8 135.9 -10.9 -20.6 26.1 52 52 A L E > -CD 42 55C 2 3,-2.9 3,-0.9 -2,-0.3 -10,-0.2 -0.887 68.5 -28.1-140.5 108.2 -7.6 -19.1 25.1 53 53 A D T 3 S- 0 0 3 -12,-2.8 -13,-0.1 -2,-0.4 -14,-0.1 0.953 128.6 -38.1 52.7 58.1 -5.3 -20.6 22.4 54 54 A G T 3 S+ 0 0 52 1,-0.2 2,-0.4 -16,-0.1 -1,-0.2 0.339 118.4 105.9 81.2 -6.6 -6.3 -24.2 22.9 55 55 A K E < -D 52 0C 51 -3,-0.9 -3,-2.9 -14,-0.1 2,-0.2 -0.908 62.5-137.5-112.4 133.6 -6.7 -24.0 26.7 56 56 A R E > -D 51 0C 108 -2,-0.4 3,-3.0 -5,-0.2 -5,-0.3 -0.597 34.8-105.3 -83.9 147.2 -10.0 -23.9 28.6 57 57 A R G > S+ 0 0 68 -7,-3.0 3,-2.0 1,-0.3 -6,-0.1 0.775 117.7 73.0 -38.6 -34.7 -10.2 -21.4 31.5 58 58 A D G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -8,-0.3 -7,-0.1 0.842 103.9 36.9 -51.0 -41.1 -9.9 -24.5 33.8 59 59 A Q G < S+ 0 0 95 -3,-3.0 -1,-0.3 2,-0.0 -2,-0.2 0.042 84.4 135.3-106.4 28.3 -6.2 -24.8 32.9 60 60 A F < - 0 0 13 -3,-2.0 2,-0.2 -4,-0.1 -4,-0.0 -0.426 42.0-150.1 -69.1 148.0 -5.4 -21.1 32.7 61 61 A D > - 0 0 8 -2,-0.1 4,-2.5 1,-0.0 5,-0.3 -0.646 40.5 -85.6-108.4 174.9 -2.1 -20.2 34.5 62 62 A M H > S+ 0 0 1 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.902 131.8 47.0 -47.3 -47.2 -1.6 -16.8 36.0 63 63 A I H > S+ 0 0 0 2,-0.2 4,-2.9 3,-0.2 5,-0.3 0.951 112.3 48.6 -60.7 -52.6 -0.4 -15.4 32.7 64 64 A D H > S+ 0 0 2 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.978 113.3 47.0 -50.3 -63.1 -3.3 -16.9 30.8 65 65 A R H X S+ 0 0 30 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.812 113.1 49.9 -48.8 -37.6 -5.9 -15.7 33.2 66 66 A F H X>S+ 0 0 0 -4,-2.1 4,-0.8 -5,-0.3 5,-0.5 0.930 113.6 43.4 -71.1 -44.9 -4.3 -12.2 33.3 67 67 A I H >X>S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 5,-0.9 0.936 113.3 52.7 -65.0 -45.7 -4.2 -11.9 29.5 68 68 A A H 3<5S+ 0 0 2 -4,-3.2 -19,-0.5 -5,-0.3 -1,-0.2 0.811 118.6 35.1 -59.2 -34.1 -7.7 -13.3 29.1 69 69 A D H 3<5S+ 0 0 56 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.387 134.6 19.2-103.5 1.2 -9.2 -10.8 31.6 70 70 A Y H <<5S+ 0 0 40 -4,-0.8 -3,-0.2 -3,-0.8 -2,-0.2 0.583 119.3 47.7-138.4 -33.1 -7.1 -7.7 30.9 71 71 A A T <> - 0 0 41 34,-2.1 4,-1.7 -2,-0.5 3,-0.6 -0.528 27.4-162.6 -68.5 93.2 -11.1 -6.9 23.9 74 74 A V H 3> S+ 0 0 38 -2,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.761 80.0 57.5 -50.4 -33.6 -13.7 -9.5 24.8 75 75 A E H 34 S+ 0 0 155 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.906 116.8 28.6 -68.7 -43.8 -16.5 -8.0 22.6 76 76 A R H <> S+ 0 0 87 -3,-0.6 4,-2.4 1,-0.1 5,-0.2 0.566 95.8 89.2 -96.3 -9.2 -14.7 -8.1 19.2 77 77 A T H X S+ 0 0 2 -4,-1.7 4,-3.5 1,-0.2 5,-0.2 0.917 81.5 58.5 -54.4 -52.6 -12.3 -11.1 19.7 78 78 A E H < S+ 0 0 64 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.892 116.0 34.7 -41.1 -54.6 -14.8 -13.7 18.4 79 79 A Q H >4 S+ 0 0 139 -4,-0.3 3,-1.1 -3,-0.2 -1,-0.2 0.846 116.9 53.6 -73.2 -38.9 -15.1 -12.0 15.1 80 80 A A H >< S+ 0 0 10 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.914 103.6 56.5 -63.8 -43.9 -11.5 -10.7 14.9 81 81 A M T 3< S+ 0 0 24 -4,-3.5 -1,-0.3 27,-0.3 -2,-0.2 0.487 92.6 72.8 -68.7 -0.4 -10.2 -14.2 15.4 82 82 A R T < S+ 0 0 175 -3,-1.1 -1,-0.3 -5,-0.2 2,-0.2 0.564 78.9 93.4 -87.8 -11.6 -12.2 -15.3 12.4 83 83 A L S < S- 0 0 62 -3,-2.1 2,-0.1 -4,-0.2 5,-0.0 -0.597 85.9-111.3 -81.3 142.2 -9.7 -13.5 10.2 84 84 A E >> - 0 0 123 -2,-0.2 4,-1.3 1,-0.1 3,-0.6 -0.489 21.1-121.1 -74.5 146.5 -6.8 -15.6 8.7 85 85 A A H >> S+ 0 0 15 1,-0.3 4,-1.8 2,-0.2 3,-0.9 0.918 114.5 52.4 -50.0 -50.1 -3.4 -14.8 10.1 86 86 A V H 3> S+ 0 0 27 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.835 102.2 60.1 -58.0 -34.7 -2.2 -14.0 6.5 87 87 A E H <> S+ 0 0 70 -3,-0.6 4,-1.2 1,-0.2 -1,-0.3 0.838 105.9 46.5 -64.7 -33.0 -5.0 -11.6 6.1 88 88 A I H < - 0 0 10 -4,-0.8 3,-1.7 -3,-0.3 868,-0.1 -0.611 55.2-155.9 -78.0 112.6 -1.6 -2.5 2.8 95 95 A I T 3 S+ 0 0 2 -2,-0.6 -1,-0.2 1,-0.3 867,-0.1 0.576 94.1 59.1 -64.9 -6.6 -1.2 1.3 2.3 96 96 A H T 3 S+ 0 0 93 2,-0.1 2,-0.4 -5,-0.0 -1,-0.3 0.658 92.0 76.0 -94.2 -20.2 -5.0 1.5 2.0 97 97 A V S < S- 0 0 16 -3,-1.7 2,-0.2 -6,-0.2 3,-0.0 -0.763 80.5-132.4 -92.8 138.5 -5.6 0.1 5.5 98 98 A S >> - 0 0 20 -2,-0.4 4,-1.9 1,-0.1 3,-0.6 -0.602 15.5-116.1 -97.1 155.6 -5.0 2.4 8.4 99 99 A R H 3> S+ 0 0 14 426,-0.3 4,-2.2 1,-0.3 5,-0.1 0.892 116.6 50.3 -46.0 -52.3 -3.1 2.1 11.6 100 100 A E H 3> S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.823 105.7 57.8 -61.1 -33.9 -6.3 2.6 13.7 101 101 A E H <> S+ 0 0 93 -3,-0.6 4,-0.9 1,-0.2 -1,-0.2 0.953 110.1 41.2 -63.8 -50.0 -8.1 -0.1 11.6 102 102 A I H X S+ 0 0 1 -4,-1.9 4,-3.4 1,-0.2 3,-0.3 0.852 109.5 60.2 -68.4 -31.8 -5.6 -2.8 12.4 103 103 A I H X S+ 0 0 10 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.955 100.5 54.7 -57.8 -48.8 -5.4 -1.7 16.0 104 104 A A H < S+ 0 0 36 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.818 116.7 39.7 -52.7 -32.6 -9.1 -2.4 16.4 105 105 A I H >< S+ 0 0 31 -4,-0.9 3,-1.8 -3,-0.3 -2,-0.2 0.936 114.4 47.4 -83.4 -54.2 -8.4 -5.9 15.2 106 106 A T H >< S+ 0 0 0 -4,-3.4 3,-1.4 1,-0.3 -2,-0.2 0.776 104.2 60.4 -62.3 -30.0 -5.1 -6.8 16.9 107 107 A T T 3< S+ 0 0 25 -4,-2.4 -34,-2.1 -5,-0.3 -1,-0.3 0.518 106.8 52.0 -75.3 -1.4 -6.2 -5.6 20.3 108 108 A A T < S+ 0 0 0 -3,-1.8 -27,-0.3 -36,-0.2 -1,-0.3 0.262 98.1 79.6-115.6 8.6 -8.9 -8.3 19.9 109 109 A I S < S- 0 0 0 -3,-1.4 -36,-0.1 -29,-0.1 -32,-0.1 -0.375 74.7-107.5-105.4-172.8 -6.7 -11.2 19.0 110 110 A T > - 0 0 0 -2,-0.1 4,-2.6 -33,-0.1 5,-0.2 -0.617 29.0-101.5-114.3 173.0 -4.5 -13.7 21.0 111 111 A P H > S+ 0 0 2 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.871 123.4 47.4 -61.2 -36.1 -0.8 -14.3 21.7 112 112 A A H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -72,-0.2 0.865 110.6 51.6 -73.3 -36.1 -0.9 -17.3 19.3 113 113 A K H > S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.958 108.1 51.9 -64.5 -48.8 -2.7 -15.3 16.6 114 114 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.904 113.2 44.2 -53.3 -46.7 -0.1 -12.5 16.8 115 115 A V H X S+ 0 0 9 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.939 110.8 54.6 -65.3 -44.6 2.7 -14.9 16.4 116 116 A E H < S+ 0 0 48 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.798 105.3 54.3 -59.6 -29.2 0.9 -16.7 13.6 117 117 A V H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.918 106.6 50.6 -70.3 -43.6 0.5 -13.4 11.8 118 118 A M H >< S+ 0 0 0 -4,-1.6 3,-2.0 1,-0.3 -2,-0.2 0.825 96.4 69.0 -62.7 -33.9 4.3 -12.8 11.9 119 119 A A T 3< S+ 0 0 50 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.746 93.9 60.9 -57.4 -21.6 5.0 -16.2 10.5 120 120 A Q T < S+ 0 0 69 -3,-1.3 2,-0.4 -4,-0.4 1277,-0.3 0.243 95.2 80.5 -90.6 11.9 3.5 -14.9 7.2 121 121 A M < - 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