==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 14-OCT-10 2XU2 . COMPND 2 MOLECULE: UPF0271 PROTEIN PA4511; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.OKE,L.G.CARTER,K.A.JOHNSON,H.LIU,S.A.MCMAHON,M.F.WHITE, . 241 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.1 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 1 0.4 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 . 13 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 0 0 0 1 1 0 0 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 2 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 PARALLEL BRIDGES PER LADDER . 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 8 A R 0 0 148 0, 0.0 2,-0.1 0, 0.0 201,-0.0 0.000 360.0 360.0 360.0 -98.0 12.9 6.1 5.0 2 9 A I - 0 0 44 200,-0.1 2,-0.3 1,-0.1 219,-0.2 -0.409 360.0-130.9 -75.9 142.7 15.6 3.9 6.8 3 10 A L E -a 221 0A 65 217,-1.7 219,-3.6 -2,-0.1 2,-0.5 -0.695 11.5-132.3 -94.1 142.6 18.7 5.6 8.2 4 11 A L E -a 222 0A 13 -2,-0.3 24,-2.1 217,-0.2 25,-1.8 -0.847 25.4-174.3 -93.2 128.4 22.3 4.3 7.6 5 12 A N E -ab 223 29A 0 217,-2.7 219,-2.3 -2,-0.5 2,-0.3 -0.803 4.7-176.8-117.8 160.7 24.6 3.9 10.6 6 13 A C E - b 0 30A 0 23,-1.1 25,-1.8 -2,-0.3 2,-0.5 -0.918 30.7-117.3-160.7 130.5 28.3 3.1 10.8 7 14 A D E + b 0 31A 7 217,-0.3 219,-0.5 -2,-0.3 2,-0.2 -0.583 51.0 159.6 -71.5 120.4 30.7 2.5 13.6 8 15 A M E + b 0 32A 2 23,-2.3 25,-1.5 -2,-0.5 53,-0.1 -0.813 39.3 54.7-140.5 173.7 33.4 5.2 13.3 9 16 A G + 0 0 1 -2,-0.2 -1,-0.1 23,-0.2 9,-0.1 0.850 67.5 134.6 64.1 35.2 36.2 7.0 15.3 10 17 A E + 0 0 8 7,-0.3 8,-0.1 -3,-0.2 29,-0.1 0.321 29.5 110.6-104.1 4.6 37.5 3.6 16.1 11 18 A S - 0 0 19 6,-0.3 28,-2.3 27,-0.1 29,-0.4 -0.256 52.1-160.4 -61.8 164.9 41.2 4.4 15.4 12 19 A F B > -H 15 0B 61 3,-2.6 3,-2.4 27,-0.2 -2,-0.1 -0.902 47.2 -44.5-161.2 123.6 43.4 4.5 18.4 13 20 A G T 3 S- 0 0 52 -2,-0.3 -1,-0.1 1,-0.3 27,-0.0 -0.277 126.4 -13.8 49.0-126.0 46.8 6.3 18.8 14 21 A A T 3 S+ 0 0 107 -3,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.542 118.9 98.3 -76.7 -11.9 48.9 5.6 15.7 15 22 A W B < -H 12 0B 191 -3,-2.4 -3,-2.6 1,-0.0 2,-0.4 -0.683 62.3-149.3 -86.8 134.0 46.6 2.8 14.6 16 23 A R - 0 0 152 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.1 -0.792 11.7-173.1 -99.6 134.9 43.9 3.4 12.0 17 24 A M - 0 0 63 -2,-0.4 3,-0.4 0, 0.0 -6,-0.3 -0.992 54.1 -17.9-123.7 142.0 40.5 1.6 11.9 18 25 A G S S- 0 0 28 -2,-0.4 209,-0.1 1,-0.2 -10,-0.1 -0.247 81.1 -86.7 70.3-155.9 38.0 1.9 9.1 19 26 A D >> + 0 0 49 1,-0.0 4,-2.0 -3,-0.0 3,-1.5 -0.461 48.1 172.0-151.3 67.8 38.0 4.7 6.5 20 27 A D H 3> S+ 0 0 18 -3,-0.4 4,-2.4 1,-0.3 -2,-0.1 0.766 72.9 61.7 -56.2 -35.1 35.9 7.5 8.2 21 28 A V H 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.817 112.9 37.2 -63.6 -31.6 36.7 10.1 5.6 22 29 A H H <4 S+ 0 0 78 -3,-1.5 4,-0.2 2,-0.1 -2,-0.2 0.880 120.5 44.3 -84.4 -41.9 34.9 8.0 2.9 23 30 A S H >X S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 4,-0.7 0.794 98.8 70.1 -79.3 -30.0 32.1 6.6 5.0 24 31 A M G >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.891 96.3 51.0 -59.0 -44.9 31.0 9.7 6.9 25 32 A P G 34 S+ 0 0 63 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.600 109.9 52.6 -69.5 -9.0 29.5 11.5 3.8 26 33 A L G <4 S+ 0 0 32 -3,-1.3 2,-0.2 -4,-0.2 -2,-0.2 0.531 100.6 69.0-102.6 -8.5 27.4 8.4 2.9 27 34 A V << - 0 0 9 -3,-1.0 -22,-0.2 -4,-0.7 3,-0.1 -0.662 60.3-148.9-114.9 163.5 25.7 7.8 6.3 28 35 A D S S+ 0 0 67 -24,-2.1 29,-2.2 1,-0.2 2,-0.4 0.665 86.8 40.8 -95.3 -21.9 23.0 9.4 8.5 29 36 A Q E -bc 5 57A 9 -25,-1.8 -23,-1.1 27,-0.2 2,-0.6 -0.996 61.1-160.5-141.5 126.5 24.4 8.3 11.8 30 37 A A E -bc 6 58A 0 27,-3.0 29,-2.6 -2,-0.4 2,-1.0 -0.942 8.3-157.4-114.1 108.7 28.0 8.0 13.2 31 38 A N E -bc 7 59A 0 -25,-1.8 -23,-2.3 -2,-0.6 2,-0.4 -0.768 23.2-158.1 -85.6 100.3 28.4 5.7 16.2 32 39 A L E -bc 8 60A 1 27,-2.7 29,-2.4 -2,-1.0 -23,-0.2 -0.697 13.1-118.6 -95.8 132.6 31.6 7.1 17.7 33 40 A A E - c 0 61A 0 -25,-1.5 6,-0.1 -2,-0.4 -1,-0.1 -0.171 14.3-153.1 -58.8 156.8 34.0 5.1 20.0 34 41 A C - 0 0 5 27,-0.5 5,-0.2 4,-0.1 -1,-0.1 0.083 50.6 -88.3-126.8 21.4 34.5 6.5 23.6 35 42 A G S S+ 0 0 30 3,-2.5 4,-0.2 5,-0.1 32,-0.1 0.407 106.6 92.3 94.0 -0.4 38.0 5.2 24.5 36 43 A F S S+ 0 0 41 2,-0.3 30,-1.6 30,-0.1 35,-0.2 0.795 108.9 8.3 -96.7 -36.1 37.1 1.8 26.0 37 44 A H S S- 0 0 3 1,-0.5 2,-0.3 28,-0.2 33,-0.1 0.471 140.2 -31.3-112.0 -9.2 37.4 -0.3 22.9 38 45 A A S S+ 0 0 3 1,-0.2 -3,-2.5 -29,-0.1 -1,-0.5 -0.931 91.3 89.0 170.0 173.1 38.9 2.4 20.6 39 46 A G - 0 0 0 -28,-2.3 -1,-0.2 -2,-0.3 -27,-0.2 0.997 49.9-154.2 72.4 75.0 38.8 6.1 20.1 40 47 A D > - 0 0 30 -29,-0.4 4,-2.3 -6,-0.1 5,-0.2 -0.191 41.3 -89.8 -60.8 168.1 41.5 7.9 22.2 41 48 A P H > S+ 0 0 89 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.901 127.5 46.6 -56.8 -43.8 40.6 11.6 23.0 42 49 A L H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.921 112.2 50.6 -65.3 -43.9 42.2 13.1 19.9 43 50 A T H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.887 110.2 52.4 -55.4 -39.2 40.6 10.5 17.6 44 51 A M H X S+ 0 0 7 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.939 107.5 49.6 -64.7 -48.2 37.3 11.3 19.2 45 52 A R H X S+ 0 0 82 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.919 113.5 48.0 -52.9 -47.5 37.8 15.1 18.6 46 53 A R H X S+ 0 0 139 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.904 109.5 51.1 -64.5 -43.3 38.6 14.2 14.9 47 54 A A H X S+ 0 0 6 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.892 112.7 47.4 -60.7 -39.9 35.6 11.9 14.4 48 55 A V H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.939 110.9 49.7 -68.4 -48.5 33.2 14.6 15.8 49 56 A E H X S+ 0 0 71 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.905 112.9 48.9 -54.1 -44.4 34.7 17.4 13.6 50 57 A L H X S+ 0 0 24 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.897 113.5 45.5 -64.4 -41.6 34.3 15.1 10.6 51 58 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 3,-0.8 0.910 113.3 49.6 -66.5 -44.2 30.7 14.2 11.5 52 59 A V H ><5S+ 0 0 58 -4,-3.1 3,-1.0 1,-0.2 -2,-0.2 0.891 107.2 56.7 -58.6 -42.9 29.9 17.9 12.2 53 60 A R H 3<5S+ 0 0 194 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.682 112.9 39.7 -63.7 -24.1 31.4 18.8 8.8 54 61 A H T <<5S- 0 0 84 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.304 111.1-112.0-112.9 8.4 29.1 16.4 7.0 55 62 A G T < 5 + 0 0 73 -3,-1.0 2,-0.3 -4,-0.4 -3,-0.2 0.683 62.7 156.1 72.6 19.4 25.8 17.1 8.9 56 63 A V < - 0 0 14 -5,-2.2 2,-0.2 -6,-0.2 -1,-0.2 -0.573 46.6-116.0 -87.2 140.5 25.8 13.5 10.4 57 64 A S E -c 29 0A 44 -29,-2.2 -27,-3.0 -2,-0.3 2,-0.6 -0.527 31.6-136.8 -73.0 132.9 24.0 12.7 13.6 58 65 A I E -c 30 0A 3 45,-0.4 47,-3.5 -2,-0.2 48,-0.8 -0.830 20.2-173.4-102.6 121.7 26.4 11.6 16.4 59 66 A G E -cd 31 106A 0 -29,-2.6 -27,-2.7 -2,-0.6 2,-0.4 -0.841 28.7-117.6-104.7 149.7 25.8 8.6 18.6 60 67 A A E -cd 32 107A 0 46,-2.6 48,-3.0 -2,-0.3 -27,-0.2 -0.723 23.3-161.9 -79.8 132.5 27.9 7.5 21.6 61 68 A H E -c 33 0A 0 -29,-2.4 -27,-0.5 -2,-0.4 46,-0.1 -0.628 18.1-177.5-117.3 68.9 29.3 4.0 20.9 62 69 A P + 0 0 0 0, 0.0 48,-2.8 0, 0.0 2,-0.3 -0.342 2.0 178.9 -76.8 151.7 30.2 2.7 24.4 63 70 A A - 0 0 0 46,-0.2 48,-0.1 22,-0.2 26,-0.1 -0.849 36.0 -81.0-139.5 169.9 31.9 -0.6 25.1 64 71 A Y - 0 0 1 7,-0.3 2,-1.3 46,-0.3 9,-0.1 -0.383 62.0 -92.3 -61.8 154.2 33.3 -2.8 27.8 65 72 A P S S+ 0 0 70 0, 0.0 -28,-0.2 0, 0.0 -1,-0.1 -0.626 84.4 120.2 -76.7 95.0 36.9 -1.9 28.8 66 73 A D > + 0 0 27 -30,-1.6 5,-2.3 -2,-1.3 6,-0.2 -0.526 25.5 166.3-162.7 83.2 38.8 -4.1 26.5 67 74 A L T > 5S+ 0 0 90 1,-0.2 3,-1.2 2,-0.2 -1,-0.1 0.893 80.7 51.6 -71.1 -45.9 41.2 -2.5 24.0 68 75 A S T 3 5S+ 0 0 113 1,-0.3 -1,-0.2 2,-0.1 -31,-0.1 0.773 115.4 43.9 -67.3 -24.3 43.1 -5.6 22.9 69 76 A G T > 5S- 0 0 14 4,-0.1 3,-1.9 -3,-0.0 -1,-0.3 0.378 106.5-126.4 -95.7 1.6 39.7 -7.4 22.2 70 77 A F T < 5 - 0 0 28 -3,-1.2 -3,-0.2 1,-0.3 -33,-0.2 0.769 61.5 -72.7 57.1 29.6 38.2 -4.3 20.4 71 78 A G T 3 - 0 0 44 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.398 29.7-112.6 -74.0 160.7 27.8 -6.0 37.2 79 86 A A H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.828 121.3 55.7 -58.6 -35.3 24.8 -3.7 36.2 80 87 A E H > S+ 0 0 138 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 107.8 46.7 -64.8 -45.4 26.4 -1.1 38.5 81 88 A E H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.911 114.8 48.0 -63.0 -42.3 29.7 -1.3 36.6 82 89 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.927 108.2 53.0 -68.4 -48.2 27.9 -1.1 33.2 83 90 A H H X S+ 0 0 46 -4,-2.9 4,-2.3 1,-0.2 3,-0.3 0.947 113.7 44.3 -45.8 -53.7 25.7 1.9 34.2 84 91 A A H X S+ 0 0 56 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.846 111.6 50.4 -67.8 -37.8 28.8 3.8 35.3 85 92 A M H X S+ 0 0 17 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.754 112.3 48.6 -75.2 -24.1 31.0 3.0 32.2 86 93 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 -3,-0.3 5,-0.2 0.926 112.7 47.1 -74.1 -48.6 28.2 4.0 29.9 87 94 A L H X S+ 0 0 56 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.908 112.1 51.7 -57.5 -45.7 27.6 7.2 31.7 88 95 A Y H X S+ 0 0 163 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.914 112.4 45.1 -55.1 -48.2 31.3 7.9 31.7 89 96 A Q H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 5,-0.2 0.868 110.2 52.5 -72.1 -39.3 31.7 7.3 27.9 90 97 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.925 112.2 46.9 -59.1 -46.2 28.6 9.3 26.9 91 98 A G H X S+ 0 0 25 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.856 109.4 53.6 -66.6 -36.6 29.9 12.3 28.9 92 99 A A H X S+ 0 0 33 -4,-1.9 4,-0.8 2,-0.2 3,-0.2 0.943 115.1 39.8 -62.4 -49.4 33.4 12.0 27.4 93 100 A L H >X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 3,-0.9 0.907 111.3 57.6 -64.1 -44.2 32.1 12.1 23.8 94 101 A D H 3X S+ 0 0 8 -4,-2.6 4,-2.6 1,-0.3 5,-0.2 0.764 96.1 65.1 -61.5 -25.9 29.5 14.8 24.6 95 102 A A H 3X S+ 0 0 54 -4,-1.3 4,-1.4 -3,-0.2 -1,-0.3 0.908 106.8 41.8 -61.8 -40.8 32.3 17.1 25.8 96 103 A F H <>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 3,-1.0 0.940 109.4 45.6 -56.9 -50.8 30.2 17.5 20.7 98 105 A R H ><5S+ 0 0 164 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.837 105.3 58.9 -67.6 -35.0 29.3 20.6 22.7 99 106 A S H 3<5S+ 0 0 91 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.737 110.9 46.6 -61.5 -20.7 32.7 22.3 22.0 100 107 A L T <<5S- 0 0 57 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.053 124.1-105.6-111.0 21.1 31.6 21.9 18.4 101 108 A G T < 5S+ 0 0 77 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.612 90.5 84.0 73.6 14.4 28.0 23.2 19.0 102 109 A T < - 0 0 56 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.503 61.9-139.0-127.4-162.8 26.2 19.8 18.8 103 110 A Q - 0 0 87 -2,-0.2 -45,-0.4 -6,-0.1 2,-0.3 -0.983 35.6 -76.9-157.0 159.3 25.4 17.0 21.2 104 111 A V - 0 0 1 -2,-0.3 -45,-0.2 1,-0.1 3,-0.1 -0.504 41.9-169.4 -58.6 122.4 25.3 13.2 21.4 105 112 A A - 0 0 32 -47,-3.5 2,-0.3 -2,-0.3 -46,-0.2 0.636 60.5 -11.6 -99.6 -19.9 22.0 12.3 19.6 106 113 A Y E -d 59 0A 3 -48,-0.8 -46,-2.6 32,-0.2 2,-0.4 -0.959 63.8-114.4-162.4 176.7 21.6 8.7 20.6 107 114 A V E +de 60 140A 0 32,-2.3 34,-3.0 -2,-0.3 -46,-0.2 -0.993 22.0 178.7-124.9 127.3 23.5 5.7 22.2 108 115 A K - 0 0 4 -48,-3.0 6,-0.1 -2,-0.4 34,-0.1 -0.891 25.5-137.0-122.9 104.2 24.6 2.5 20.4 109 116 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -46,-0.2 -0.167 23.6-130.8 -50.7 148.3 26.5 0.0 22.5 110 117 A H >> - 0 0 2 -48,-2.8 3,-1.0 4,-0.1 4,-0.8 -0.760 49.5 -27.1-103.3 150.2 29.5 -1.6 20.8 111 118 A G H 3> S- 0 0 17 -2,-0.3 4,-1.4 1,-0.2 3,-0.5 -0.076 123.0 -1.8 63.4-140.7 30.6 -5.2 20.4 112 119 A A H 3> S+ 0 0 10 -41,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.815 128.5 62.9 -60.5 -32.7 29.8 -7.8 23.0 113 120 A L H <> S+ 0 0 0 -3,-1.0 4,-1.2 -42,-0.6 -1,-0.2 0.941 102.7 49.8 -57.0 -47.7 27.9 -5.3 25.1 114 121 A Y H X S+ 0 0 12 -4,-0.8 4,-0.5 -3,-0.5 3,-0.3 0.901 115.3 42.5 -57.8 -46.5 25.4 -4.7 22.3 115 122 A N H >X S+ 0 0 64 -4,-1.4 3,-0.9 1,-0.2 4,-0.6 0.840 107.8 59.6 -71.9 -32.4 24.7 -8.4 21.9 116 123 A D H 3X S+ 0 0 44 -4,-2.9 4,-1.0 1,-0.2 3,-0.4 0.753 97.9 61.6 -67.2 -24.0 24.7 -9.1 25.7 117 124 A L H 3< S+ 0 0 8 -4,-1.2 -1,-0.2 -3,-0.3 7,-0.2 0.777 91.2 67.2 -70.6 -26.2 21.8 -6.6 26.0 118 125 A V H << S+ 0 0 22 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.815 116.4 23.8 -65.4 -29.5 19.6 -8.8 23.7 119 126 A G H < S+ 0 0 70 -4,-0.6 2,-0.6 -3,-0.4 -1,-0.2 0.480 110.5 75.7-113.4 -5.1 19.5 -11.6 26.3 120 127 A D X - 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