==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAY-01 1H5Z . COMPND 2 MOLECULE: CYTOCHROME P450 51; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.M.PODUST,M.ARASE,M.R.WATERMAN . 434 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 9.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 21 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1 1 1 0 1 0 0 2 1 1 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 3 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 2 A S 0 0 185 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-153.4 -15.1 -11.9 102.3 2 3 A A - 0 0 68 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.961 360.0 -82.6-144.5 158.7 -15.0 -13.7 99.0 3 4 A V - 0 0 126 -2,-0.3 2,-0.3 1,-0.1 322,-0.1 -0.440 45.4-133.0 -66.0 129.7 -12.4 -15.8 97.1 4 5 A A - 0 0 90 -2,-0.2 3,-0.1 1,-0.0 -1,-0.1 -0.680 14.5-131.6 -87.6 137.1 -10.0 -13.6 95.2 5 6 A L - 0 0 17 -2,-0.3 35,-0.1 1,-0.1 36,-0.1 -0.452 42.0 -79.3 -81.0 156.6 -9.2 -14.5 91.6 6 7 A P - 0 0 39 0, 0.0 35,-1.2 0, 0.0 2,-0.4 -0.319 49.9-154.8 -58.0 140.8 -5.6 -14.6 90.4 7 8 A R B -a 41 0A 104 33,-0.2 35,-0.2 -3,-0.1 33,-0.0 -0.982 14.1-120.8-123.0 126.8 -4.3 -11.1 89.7 8 9 A V - 0 0 2 33,-2.6 35,-0.1 -2,-0.4 24,-0.1 -0.299 39.1 -99.0 -63.8 149.5 -1.5 -10.3 87.3 9 10 A S S S+ 0 0 54 22,-0.2 -1,-0.1 33,-0.1 2,-0.1 0.019 85.9 27.3 -61.6 172.1 1.6 -8.5 88.8 10 11 A G + 0 0 30 1,-0.1 7,-0.1 2,-0.0 6,-0.0 -0.393 52.0 133.7 73.6-151.0 2.2 -4.8 88.6 11 12 A G + 0 0 19 5,-0.2 6,-0.2 6,-0.1 -1,-0.1 0.920 28.0 134.2 70.9 46.0 -0.7 -2.3 88.3 12 13 A H + 0 0 167 4,-0.1 5,-0.1 5,-0.1 -1,-0.1 0.271 36.3 110.1-108.8 9.8 0.6 0.1 90.9 13 14 A D B > S-B 16 0A 90 3,-1.3 3,-2.5 2,-0.1 5,-0.1 -0.271 91.6 -82.9 -79.6 171.0 -0.1 3.3 88.9 14 15 A E T 3 S+ 0 0 171 1,-0.3 3,-0.1 3,-0.1 -1,-0.1 0.827 131.9 31.8 -41.6 -45.3 -2.8 5.8 89.7 15 16 A H T > S- 0 0 45 1,-0.3 3,-2.1 28,-0.0 30,-2.0 -0.196 110.8-118.8-110.3 42.4 -5.5 3.8 87.9 16 17 A G B < S-BC 13 44A 13 -3,-2.5 -3,-1.3 1,-0.3 4,-0.3 -0.470 85.5 -11.1 66.3-116.8 -4.1 0.3 88.6 17 18 A H T 3> S+ 0 0 3 26,-2.7 4,-2.9 -2,-0.4 -1,-0.3 0.418 112.7 95.5 -95.3 -3.0 -3.2 -1.4 85.3 18 19 A L H <> S+ 0 0 0 -3,-2.1 4,-1.9 25,-0.5 5,-0.2 0.942 81.9 52.6 -54.1 -50.8 -5.0 1.2 83.2 19 20 A E H > S+ 0 0 31 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.912 114.0 42.7 -52.0 -46.8 -1.8 3.1 82.6 20 21 A E H > S+ 0 0 36 -4,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.857 107.9 59.3 -69.5 -35.3 -0.0 -0.1 81.4 21 22 A F H < S+ 0 0 9 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.854 108.6 47.6 -61.8 -30.8 -3.0 -1.2 79.3 22 23 A R H < S+ 0 0 57 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.919 117.9 37.8 -75.2 -44.8 -2.7 2.1 77.5 23 24 A T H < S+ 0 0 111 -4,-1.8 -2,-0.2 1,-0.2 394,-0.2 0.814 141.6 0.7 -78.9 -31.3 1.1 1.9 76.8 24 25 A D X + 0 0 73 -4,-3.1 4,-1.9 -5,-0.2 -1,-0.2 -0.365 65.7 164.1-158.7 69.8 1.3 -1.9 76.1 25 26 A P H > S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.861 80.2 51.7 -57.3 -41.4 -2.0 -3.7 76.3 26 27 A I H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.921 108.7 50.5 -66.5 -41.5 -0.8 -6.8 74.6 27 28 A G H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 113.6 47.0 -61.3 -40.0 2.2 -7.2 76.9 28 29 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 -8,-0.2 -2,-0.2 0.925 112.5 47.1 -67.4 -47.2 -0.2 -6.8 79.9 29 30 A M H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.873 112.4 51.4 -64.7 -34.5 -2.7 -9.3 78.6 30 31 A Q H X S+ 0 0 62 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.896 108.5 50.9 -68.7 -39.1 0.0 -11.8 77.8 31 32 A R H X S+ 0 0 56 -4,-1.9 4,-2.6 2,-0.2 5,-0.4 0.852 104.9 57.7 -67.0 -33.0 1.5 -11.5 81.3 32 33 A V H X>S+ 0 0 1 -4,-1.9 4,-3.4 2,-0.2 5,-0.7 0.959 111.8 41.4 -60.5 -48.0 -1.9 -12.1 82.7 33 34 A R H X5S+ 0 0 52 -4,-1.8 4,-1.1 3,-0.2 -2,-0.2 0.909 114.4 51.4 -66.6 -41.8 -2.0 -15.4 80.9 34 35 A D H <5S+ 0 0 117 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.880 123.4 29.9 -62.8 -38.7 1.6 -16.3 81.6 35 36 A E H <5S+ 0 0 98 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.846 133.8 26.4 -89.8 -38.6 1.1 -15.6 85.4 36 37 A C H <5S- 0 0 28 -4,-3.4 3,-0.3 -5,-0.4 2,-0.3 0.776 92.3-140.6 -98.7 -32.2 -2.5 -16.5 86.0 37 38 A G << - 0 0 27 -4,-1.1 -1,-0.3 -5,-0.7 -2,-0.1 -0.737 64.3 -15.8 104.8-155.3 -3.5 -19.1 83.3 38 39 A D S S+ 0 0 47 -2,-0.3 15,-1.9 1,-0.2 2,-0.4 0.678 137.2 42.4 -61.1 -19.3 -6.8 -19.3 81.4 39 40 A V E S+ D 0 52A 3 -3,-0.3 2,-0.3 13,-0.2 -1,-0.2 -0.908 74.0 140.1-135.3 108.5 -8.4 -17.0 84.0 40 41 A G E - D 0 51A 0 11,-2.1 11,-2.6 -2,-0.4 2,-0.3 -0.914 30.8-139.4-140.2 167.1 -6.6 -13.9 85.3 41 42 A T E -aD 7 50A 0 -35,-1.2 -33,-2.6 -2,-0.3 2,-0.3 -0.904 12.3-176.8-132.9 159.4 -7.4 -10.3 86.2 42 43 A F E - D 0 49A 1 7,-1.4 7,-2.7 -2,-0.3 2,-0.6 -0.962 32.6-109.8-146.5 155.1 -6.1 -6.8 86.0 43 44 A Q E - D 0 48A 48 -2,-0.3 -26,-2.7 5,-0.2 2,-0.8 -0.814 21.6-171.9 -97.3 122.9 -7.4 -3.5 87.4 44 45 A L E > -CD 16 47A 2 3,-2.9 3,-2.1 -2,-0.6 2,-0.3 -0.824 65.3 -71.0-110.8 86.6 -8.8 -0.9 84.9 45 46 A A T 3 S- 0 0 16 -30,-2.0 -28,-0.1 -2,-0.8 127,-0.1 -0.463 116.6 -10.4 63.8-121.5 -9.3 2.0 87.2 46 47 A G T 3 S+ 0 0 71 -2,-0.3 2,-0.4 125,-0.2 -1,-0.3 0.420 124.1 83.0 -89.7 3.3 -12.3 1.1 89.4 47 48 A K E < -D 44 0A 111 -3,-2.1 -3,-2.9 283,-0.0 2,-0.5 -0.848 69.4-139.0-110.7 143.2 -13.3 -2.0 87.4 48 49 A Q E -D 43 0A 47 -2,-0.4 283,-2.1 -5,-0.2 2,-0.6 -0.863 16.0-151.3 -98.6 128.7 -11.8 -5.5 87.6 49 50 A V E -De 42 331A 0 -7,-2.7 -7,-1.4 -2,-0.5 2,-1.0 -0.884 2.6-154.7-103.3 122.0 -11.3 -7.2 84.3 50 51 A V E -De 41 332A 0 281,-3.4 283,-2.9 -2,-0.6 2,-0.6 -0.826 18.4-158.0 -94.1 99.3 -11.5 -11.0 84.2 51 52 A L E -De 40 333A 3 -11,-2.6 -11,-2.1 -2,-1.0 2,-0.3 -0.713 6.3-162.7 -85.5 121.5 -9.4 -11.8 81.2 52 53 A L E +De 39 334A 1 281,-3.6 283,-0.6 -2,-0.6 2,-0.3 -0.805 13.9 167.8-105.3 144.6 -10.1 -15.2 79.7 53 54 A S + 0 0 4 -15,-1.9 4,-0.4 -2,-0.3 3,-0.1 -0.982 34.4 50.9-150.8 157.2 -7.8 -17.1 77.3 54 55 A G S > S- 0 0 6 -2,-0.3 4,-2.6 3,-0.1 5,-0.3 0.067 91.3 -73.7 92.4 153.2 -7.5 -20.6 75.9 55 56 A S H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.880 126.0 47.4 -49.8 -52.2 -10.2 -22.7 74.2 56 57 A H H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 116.3 41.3 -60.6 -50.1 -12.3 -23.6 77.2 57 58 A A H > S+ 0 0 0 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.899 115.8 51.6 -65.4 -39.9 -12.5 -20.2 78.7 58 59 A N H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.867 105.8 55.4 -64.4 -36.6 -13.0 -18.6 75.3 59 60 A E H X S+ 0 0 55 -4,-2.4 4,-2.1 -5,-0.3 5,-0.2 0.953 108.1 48.1 -61.0 -48.7 -15.8 -21.0 74.6 60 61 A F H X S+ 0 0 52 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.921 113.2 49.6 -55.2 -46.0 -17.7 -20.0 77.7 61 62 A F H < S+ 0 0 3 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.931 115.5 40.5 -59.5 -50.3 -17.1 -16.3 76.7 62 63 A F H < S+ 0 0 6 -4,-2.9 316,-1.0 1,-0.2 317,-0.4 0.677 117.7 45.9 -77.0 -19.3 -18.4 -16.7 73.2 63 64 A R H < S+ 0 0 147 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.543 84.0 115.5-100.5 -8.0 -21.4 -19.0 73.9 64 65 A A S < S- 0 0 19 -4,-1.1 314,-0.1 -3,-0.3 2,-0.0 -0.309 72.5-106.2 -63.2 142.6 -22.7 -17.1 76.9 65 66 A G >> - 0 0 1 1,-0.1 3,-2.3 313,-0.0 4,-2.0 -0.316 23.9-111.9 -69.8 153.1 -26.1 -15.6 76.5 66 67 A D T 34 S+ 0 0 87 1,-0.3 5,-0.1 2,-0.2 -1,-0.1 0.667 122.6 57.3 -56.9 -14.4 -26.6 -11.8 76.0 67 68 A D T 34 S+ 0 0 111 3,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.657 107.6 44.2 -90.4 -20.3 -28.2 -12.1 79.4 68 69 A D T <4 S+ 0 0 46 -3,-2.3 248,-3.3 1,-0.3 2,-0.6 0.916 127.2 22.2 -88.0 -55.6 -25.1 -13.6 81.1 69 70 A L E < S-F 315 0A 3 -4,-2.0 2,-0.5 246,-0.2 -1,-0.3 -0.966 81.7-149.1-117.1 114.0 -22.4 -11.4 79.7 70 71 A D E -F 314 0A 49 244,-3.3 244,-2.6 -2,-0.6 -3,-0.1 -0.720 13.8-167.5 -88.0 127.8 -23.8 -8.0 78.5 71 72 A Q > + 0 0 79 -2,-0.5 3,-1.1 242,-0.2 4,-0.4 0.657 68.3 93.0 -83.7 -17.0 -22.0 -6.4 75.5 72 73 A A T 3 S+ 0 0 56 1,-0.2 242,-0.1 2,-0.2 -2,-0.1 -0.547 93.8 13.3 -78.7 141.4 -23.9 -3.2 76.3 73 74 A K T 3 S+ 0 0 193 -2,-0.2 -1,-0.2 2,-0.2 240,-0.1 0.568 99.3 106.4 70.0 8.8 -22.2 -0.7 78.6 74 75 A A S < S+ 0 0 0 -3,-1.1 -2,-0.2 1,-0.2 239,-0.1 0.734 79.9 43.8 -86.6 -25.6 -19.0 -2.7 78.1 75 76 A Y > + 0 0 48 -4,-0.4 3,-2.1 1,-0.1 4,-0.4 -0.654 66.8 171.4-121.3 72.8 -17.5 -0.0 75.8 76 77 A P T > S+ 0 0 29 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.711 71.1 70.9 -54.6 -25.0 -18.3 3.3 77.6 77 78 A F T 3> S+ 0 0 12 1,-0.2 4,-0.5 2,-0.1 90,-0.1 0.650 88.8 64.7 -71.0 -11.4 -16.2 5.3 75.2 78 79 A M H <> S+ 0 0 25 -3,-2.1 4,-2.6 1,-0.2 5,-0.3 0.803 83.4 73.3 -80.7 -30.7 -18.8 4.7 72.4 79 80 A T H <> S+ 0 0 65 -3,-0.7 4,-2.6 -4,-0.4 -1,-0.2 0.922 99.7 43.4 -50.6 -53.8 -21.6 6.7 74.0 80 81 A P H 4 S+ 0 0 11 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.828 113.5 54.9 -63.9 -29.0 -20.1 10.1 73.3 81 82 A I H < S+ 0 0 0 -4,-0.5 -2,-0.2 -3,-0.2 -3,-0.1 0.945 114.6 35.8 -69.9 -48.8 -19.2 9.0 69.8 82 83 A F H < S- 0 0 68 -4,-2.6 157,-0.2 1,-0.1 3,-0.2 0.879 103.3-146.8 -73.2 -38.3 -22.7 7.9 68.8 83 84 A G < - 0 0 25 -4,-2.6 -1,-0.1 -5,-0.3 -2,-0.1 -0.189 27.4 -81.7 92.8 170.1 -24.5 10.6 70.6 84 85 A E S S+ 0 0 153 -4,-0.1 -1,-0.2 -2,-0.1 148,-0.1 0.638 85.4 125.7 -86.3 -15.4 -27.9 10.6 72.3 85 86 A G - 0 0 37 -3,-0.2 2,-0.4 146,-0.1 147,-0.0 0.014 45.7-156.2 -44.6 147.2 -29.7 11.2 69.1 86 87 A V + 0 0 56 1,-0.1 3,-0.2 149,-0.0 146,-0.1 -0.948 24.4 162.5-136.2 114.0 -32.4 8.7 68.1 87 88 A V S S+ 0 0 12 -2,-0.4 2,-0.7 1,-0.2 -1,-0.1 0.915 80.1 22.7 -91.3 -62.6 -33.5 8.2 64.5 88 89 A F 0 0 155 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 -0.813 360.0 360.0-112.1 91.9 -35.4 4.8 64.5 89 90 A D 0 0 140 -2,-0.7 -1,-0.2 -3,-0.2 -2,-0.1 0.927 360.0 360.0 -81.9 360.0 -36.6 4.2 68.1 90 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 91 101 A H > 0 0 100 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -56.1 -26.1 -2.9 59.2 92 102 A N T 4 + 0 0 128 1,-0.2 3,-0.4 2,-0.2 4,-0.1 0.862 360.0 47.0 -38.0 -58.9 -28.5 -5.8 58.5 93 103 A A T >4 S+ 0 0 74 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.948 114.6 42.6 -53.5 -60.8 -30.0 -4.3 55.3 94 104 A A T 34 S+ 0 0 21 1,-0.3 -1,-0.2 48,-0.1 -2,-0.2 0.697 112.3 58.5 -62.6 -18.9 -26.8 -3.2 53.5 95 105 A L T 3< S+ 0 0 33 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.290 73.2 126.0 -96.7 10.4 -25.1 -6.5 54.5 96 106 A R X> - 0 0 129 -3,-1.7 3,-2.2 -4,-0.1 4,-0.7 -0.465 69.3-120.8 -69.8 140.2 -27.5 -8.8 52.8 97 107 A G H >> S+ 0 0 54 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.848 110.4 61.5 -47.1 -44.1 -25.8 -11.3 50.5 98 108 A E H 34 S+ 0 0 137 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.705 103.9 52.2 -59.1 -19.9 -27.8 -10.1 47.4 99 109 A Q H <> S+ 0 0 98 -3,-2.2 4,-2.0 -6,-0.1 -1,-0.3 0.643 86.4 84.5 -90.2 -18.1 -26.2 -6.7 47.9 100 110 A M H S+ 0 0 37 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.895 110.3 52.2 -60.4 -41.8 -23.1 -4.3 44.1 103 113 A H H X S+ 0 0 11 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.864 106.1 55.2 -63.8 -35.0 -20.8 -3.3 47.0 104 114 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.879 109.9 45.9 -64.9 -38.1 -17.9 -5.1 45.3 105 115 A A H X S+ 0 0 40 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.887 112.9 50.9 -70.5 -39.3 -18.4 -2.9 42.2 106 116 A T H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.916 110.2 49.4 -63.5 -43.2 -18.7 0.1 44.4 107 117 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.912 108.4 52.0 -63.7 -44.7 -15.5 -0.7 46.2 108 118 A E H X S+ 0 0 38 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.927 111.0 49.6 -57.0 -44.1 -13.6 -1.2 43.0 109 119 A D H X S+ 0 0 94 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.920 109.5 50.7 -61.9 -43.6 -14.8 2.2 41.9 110 120 A Q H X S+ 0 0 3 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.895 110.9 49.0 -61.6 -41.5 -13.8 3.8 45.2 111 121 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.952 110.2 49.2 -63.7 -51.1 -10.3 2.3 44.9 112 122 A R H X S+ 0 0 80 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.879 112.0 49.8 -57.4 -37.9 -9.7 3.4 41.3 113 123 A R H < S+ 0 0 120 -4,-2.1 3,-0.3 -5,-0.2 4,-0.3 0.872 109.6 52.0 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