==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUN-09 2WK7 . COMPND 2 MOLECULE: CAI-1 AUTOINDUCER SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR N.JAHAN,J.A.POTTER,M.A.SHEIKH,C.H.BOTTING,S.L.SHIRRAN, . 766 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 546 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 0.4 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 . 57 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 264 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 3 0 0 1 2 4 4 2 2 3 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 0 4 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 . 4 1 1 0 6 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 . 2 2 0 0 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 4 A P 0 0 58 0, 0.0 626,-0.1 0, 0.0 604,-0.1 0.000 360.0 360.0 360.0 96.6 63.3 37.2 26.0 2 5 A Q - 0 0 97 1,-0.1 3,-0.1 626,-0.0 605,-0.1 -0.217 360.0-131.4 -52.2 116.0 61.1 34.8 24.0 3 6 A L - 0 0 12 1,-0.1 -1,-0.1 2,-0.1 574,-0.1 -0.343 32.3 -94.2 -59.3 148.7 59.3 36.8 21.4 4 7 A P >> - 0 0 13 0, 0.0 4,-2.6 0, 0.0 3,-1.2 -0.235 36.4-112.4 -54.0 158.7 55.5 36.3 21.2 5 8 A D H 3> S+ 0 0 120 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.855 115.3 66.4 -67.0 -33.4 54.6 33.6 18.7 6 9 A F H 34 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.2 497,-0.1 0.416 115.4 30.0 -71.5 5.1 52.9 36.3 16.5 7 10 A I H X> S+ 0 0 0 -3,-1.2 4,-2.6 3,-0.1 3,-0.5 0.592 115.0 55.4-120.9 -48.8 56.3 37.8 16.0 8 11 A Q H 3X S+ 0 0 55 -4,-2.6 4,-2.0 1,-0.3 -3,-0.2 0.834 113.0 47.2 -56.9 -32.8 58.7 34.8 16.2 9 12 A N H 3X S+ 0 0 72 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.3 0.701 107.6 53.4 -87.5 -22.1 56.7 33.2 13.5 10 13 A K H <> S+ 0 0 57 -3,-0.5 4,-2.4 -5,-0.3 -2,-0.2 0.937 115.7 41.1 -71.8 -49.3 56.5 36.3 11.2 11 14 A I H X S+ 0 0 2 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.928 113.1 53.5 -62.7 -46.8 60.3 36.5 11.3 12 15 A D H X S+ 0 0 65 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.2 0.876 112.2 45.4 -61.8 -34.6 60.8 32.8 11.0 13 16 A H H X S+ 0 0 102 -4,-1.3 4,-3.4 2,-0.2 -1,-0.2 0.909 113.7 48.9 -73.6 -40.0 58.7 32.7 7.9 14 17 A Y H X>S+ 0 0 25 -4,-2.4 4,-1.1 1,-0.2 5,-0.8 0.977 106.0 55.7 -61.6 -54.7 60.3 35.8 6.4 15 18 A I H X>S+ 0 0 25 -4,-3.1 5,-2.5 1,-0.2 4,-1.5 0.867 118.4 35.7 -45.5 -40.0 63.8 34.5 7.0 16 19 A E H <>S+ 0 0 78 -4,-1.1 5,-1.4 -5,-0.3 -1,-0.2 0.913 116.5 49.8 -84.3 -44.7 62.9 31.4 5.0 17 20 A N H <5S+ 0 0 78 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.368 130.5 18.9 -75.9 5.2 60.6 32.8 2.4 18 21 A Y H <5S+ 0 0 58 -4,-1.1 10,-0.4 -3,-0.3 -3,-0.2 0.517 135.2 27.2-146.1 -31.7 63.1 35.5 1.4 19 22 A F T >< - 0 0 13 -2,-0.1 3,-1.7 1,-0.1 -1,-0.2 -0.290 48.4-106.1 -67.6 160.3 68.3 38.4 0.3 28 31 A L T 3 S+ 0 0 4 -10,-0.4 -1,-0.1 1,-0.3 313,-0.1 0.719 118.3 59.3 -64.6 -23.3 67.7 38.6 -3.5 29 32 A V T 3 S+ 0 0 21 1,-0.1 2,-0.7 311,-0.1 312,-0.4 0.621 91.2 84.2 -78.9 -12.3 69.3 42.1 -3.7 30 33 A L < + 0 0 10 -3,-1.7 -4,-0.2 1,-0.1 -6,-0.1 -0.827 51.8 158.7-100.8 110.4 72.6 40.7 -2.3 31 34 A G - 0 0 13 -2,-0.7 2,-0.2 1,-0.3 -1,-0.1 0.306 50.7 -49.7 -95.4-134.3 74.9 39.2 -4.9 32 35 A K - 0 0 135 1,-0.1 -1,-0.3 298,-0.0 2,-0.3 -0.551 65.9 -85.4-100.7 171.2 78.7 38.7 -4.5 33 36 A Q - 0 0 118 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.587 46.6-123.6 -79.4 137.1 81.2 41.3 -3.4 34 37 A A - 0 0 44 -2,-0.3 -1,-0.1 1,-0.1 302,-0.0 -0.526 15.7-142.1 -85.5 147.0 82.6 43.4 -6.2 35 38 A S > - 0 0 71 -2,-0.2 3,-0.6 1,-0.1 -1,-0.1 -0.507 31.1-103.8 -95.2 168.2 86.2 43.9 -7.2 36 39 A P T 3 S+ 0 0 126 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.847 119.2 57.9 -62.9 -31.9 87.9 47.1 -8.3 37 40 A D T 3 S+ 0 0 147 2,-0.1 299,-0.1 0, 0.0 -3,-0.0 0.802 87.6 100.4 -67.1 -30.2 87.9 45.9 -11.9 38 41 A D S < S- 0 0 36 -3,-0.6 2,-0.9 1,-0.1 299,-0.2 -0.117 78.7-118.5 -63.1 152.7 84.2 45.5 -12.0 39 42 A I E -a 337 0A 14 297,-4.1 299,-2.2 327,-0.1 2,-0.6 -0.822 30.7-156.6 -93.8 107.4 81.8 48.0 -13.5 40 43 A I E +a 338 0A 66 -2,-0.9 299,-0.2 297,-0.2 2,-0.2 -0.755 21.2 169.4 -92.9 123.2 79.6 49.2 -10.7 41 44 A L + 0 0 0 297,-5.4 316,-1.2 -2,-0.6 317,-0.1 -0.584 48.1 92.5-130.1 68.7 76.2 50.7 -11.7 42 45 A Q + 0 0 51 -2,-0.2 -1,-0.1 314,-0.2 297,-0.1 0.487 56.0 103.6-129.7 -16.5 74.2 51.1 -8.6 43 46 A S - 0 0 40 314,-0.3 190,-0.1 -3,-0.1 297,-0.0 -0.310 56.4-151.4 -75.1 153.8 74.9 54.6 -7.4 44 47 A N + 0 0 12 188,-0.2 2,-2.5 189,-0.1 192,-0.2 0.301 69.3 111.7 -98.9 6.9 72.5 57.5 -7.8 45 48 A D > + 0 0 17 1,-0.2 3,-2.1 312,-0.1 315,-0.2 -0.452 42.9 170.4 -77.5 69.1 75.5 59.8 -8.0 46 49 A Y T 3 S+ 0 0 0 -2,-2.5 314,-3.1 1,-0.3 -1,-0.2 0.795 74.7 39.2 -58.5 -37.3 74.8 60.6 -11.6 47 50 A L T 3 S- 0 0 0 312,-0.2 -1,-0.3 -3,-0.2 312,-0.1 0.193 111.5-117.4 -97.1 13.2 77.3 63.4 -11.9 48 51 A A < + 0 0 17 -3,-2.1 3,-0.2 1,-0.1 -2,-0.1 0.858 66.0 142.6 58.6 43.6 79.9 61.6 -9.8 49 52 A L > + 0 0 1 185,-0.2 3,-1.5 1,-0.2 6,-0.1 0.460 34.2 98.4 -95.0 -2.7 79.9 64.2 -7.0 50 53 A A T 3 S+ 0 0 58 1,-0.3 -1,-0.2 -5,-0.1 6,-0.0 0.904 92.1 32.9 -55.8 -51.5 80.3 62.0 -3.9 51 54 A N T 3 S+ 0 0 111 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 -0.159 84.8 147.0-101.8 39.7 84.0 62.4 -3.4 52 55 A H <> - 0 0 35 -3,-1.5 4,-2.5 1,-0.1 5,-0.2 -0.625 42.3-148.1 -80.1 129.7 84.2 65.9 -4.7 53 56 A P H > S+ 0 0 95 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.897 95.0 52.6 -67.2 -43.3 86.9 68.0 -2.9 54 57 A L H > S+ 0 0 65 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.892 112.9 45.2 -62.8 -39.4 85.2 71.3 -3.1 55 58 A I H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.965 113.8 49.0 -66.6 -50.3 82.1 69.9 -1.6 56 59 A K H X S+ 0 0 33 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.861 108.5 56.1 -55.9 -40.7 84.0 68.0 1.1 57 60 A A H X S+ 0 0 44 -4,-2.9 4,-3.4 1,-0.2 -1,-0.2 0.937 110.0 42.3 -56.4 -51.3 85.9 71.2 1.9 58 61 A R H X S+ 0 0 92 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.829 113.3 52.2 -72.4 -34.6 82.8 73.3 2.6 59 62 A L H X S+ 0 0 13 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.981 116.9 39.5 -60.6 -54.9 81.0 70.7 4.5 60 63 A A H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.927 115.0 53.7 -61.5 -47.0 84.1 70.2 6.8 61 64 A K H < S+ 0 0 108 -4,-3.4 4,-0.4 -5,-0.3 -1,-0.2 0.935 114.2 39.0 -56.0 -51.9 84.8 74.0 6.9 62 65 A S H >X S+ 0 0 14 -4,-2.5 3,-1.0 1,-0.2 4,-0.7 0.846 112.1 58.4 -70.6 -32.5 81.3 74.9 8.0 63 66 A L H 3< S+ 0 0 9 -4,-2.5 3,-0.3 -5,-0.3 -1,-0.2 0.877 107.1 48.7 -60.8 -36.9 81.1 71.9 10.3 64 67 A L T 3< S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.535 95.0 80.0 -79.2 -6.2 84.2 73.2 12.1 65 68 A E T <4 S- 0 0 128 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 0.908 100.7 -49.6 -75.6 -42.9 82.9 76.7 12.5 66 69 A E < - 0 0 132 -4,-0.7 2,-0.3 -3,-0.3 -1,-0.2 -0.964 46.9 -93.7 178.2 161.4 80.6 76.5 15.5 67 70 A Q + 0 0 61 -2,-0.3 2,-0.3 -3,-0.1 371,-0.1 -0.695 22.9 174.5 -86.0 141.4 77.8 74.9 17.4 68 71 A Q - 0 0 110 -2,-0.3 2,-3.0 369,-0.1 -2,-0.0 -0.812 30.3-142.3-135.1 106.3 74.2 75.9 17.2 69 72 A S + 0 0 28 -2,-0.3 363,-0.2 1,-0.2 361,-0.1 -0.388 44.3 151.9 -66.8 73.7 72.6 73.2 19.3 70 73 A L + 0 0 27 -2,-3.0 2,-1.5 360,-0.1 194,-0.3 -0.183 9.6 142.0-103.3 37.9 69.6 73.1 16.9 71 74 A F + 0 0 14 192,-0.1 360,-1.7 544,-0.1 2,-0.3 -0.698 44.3 92.4 -78.9 91.8 68.6 69.5 17.7 72 75 A M S S- 0 0 5 -2,-1.5 192,-1.6 358,-0.2 358,-0.1 -0.939 85.2 -56.1-168.3 170.4 64.9 70.1 17.6 73 76 A S B > -B 263 0B 16 -2,-0.3 3,-1.1 190,-0.2 4,-0.3 -0.288 42.8-125.7 -59.0 145.7 62.0 70.0 15.2 74 77 A A G > S+ 0 0 15 185,-0.8 3,-1.1 188,-0.6 186,-0.1 0.699 105.2 76.0 -66.6 -20.2 62.2 72.1 12.0 75 78 A S G > S+ 0 0 8 184,-0.6 3,-0.7 1,-0.2 -1,-0.2 0.863 89.9 57.0 -56.2 -36.5 58.9 73.6 13.0 76 79 A F G < S+ 0 0 30 -3,-1.1 3,-0.3 1,-0.3 -1,-0.2 0.671 103.4 53.8 -72.1 -17.3 60.8 75.7 15.6 77 80 A L G < S+ 0 0 28 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.1 -0.292 71.8 109.6-113.8 48.3 63.1 77.2 13.0 78 81 A Q < + 0 0 30 -3,-0.7 -1,-0.2 5,-0.1 5,-0.1 0.477 40.4 114.0-105.9 -3.2 60.6 78.7 10.6 79 82 A N S >> S- 0 0 13 -3,-0.3 3,-1.5 1,-0.1 4,-0.9 -0.360 82.0-112.0 -57.9 149.2 61.1 82.3 11.3 80 83 A D T 34 S+ 0 0 137 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.781 119.1 52.9 -65.5 -26.4 62.6 84.0 8.2 81 84 A Y T 34 S+ 0 0 95 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.707 108.5 53.7 -75.6 -18.9 65.9 84.6 9.9 82 85 A D T <4 S+ 0 0 56 -3,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.637 87.4 96.7 -88.4 -14.9 66.0 80.9 10.8 83 86 A K S < S- 0 0 47 -4,-0.9 -5,-0.1 -3,-0.3 5,-0.1 -0.670 79.1-115.0 -89.9 129.0 65.4 79.6 7.2 84 87 A P >> - 0 0 43 0, 0.0 3,-1.2 0, 0.0 4,-0.8 -0.138 10.2-130.4 -65.4 145.4 68.5 78.6 5.2 85 88 A M H 3> S+ 0 0 120 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.656 102.7 75.5 -73.3 -13.5 69.7 80.5 2.1 86 89 A I H 3> S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.852 91.7 55.1 -61.6 -32.5 69.9 77.2 0.3 87 90 A E H <> S+ 0 0 5 -3,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.944 109.5 44.5 -66.6 -44.6 66.1 77.2 0.1 88 91 A K H X S+ 0 0 92 -4,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.878 114.6 50.3 -66.2 -37.2 66.0 80.5 -1.6 89 92 A R H X S+ 0 0 42 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 112.0 47.1 -66.9 -46.1 68.9 79.4 -3.9 90 93 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 5,-0.3 0.916 108.7 55.4 -59.8 -45.2 67.1 76.2 -4.8 91 94 A A H >X>S+ 0 0 9 -4,-2.8 4,-2.1 1,-0.2 5,-0.8 0.966 112.6 41.6 -51.4 -54.3 63.9 78.1 -5.4 92 95 A K H 3<5S+ 0 0 164 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.854 109.5 61.3 -63.8 -35.0 65.6 80.4 -7.9 93 96 A F H 3<5S+ 0 0 15 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.845 116.6 28.3 -60.0 -38.6 67.5 77.4 -9.4 94 97 A T H <<5S- 0 0 7 -4,-1.9 -1,-0.2 -3,-0.6 -2,-0.2 0.643 108.1-115.6-100.6 -18.8 64.3 75.6 -10.5 95 98 A G T <5 + 0 0 38 -4,-2.1 -3,-0.2 1,-0.4 2,-0.1 0.406 69.1 133.7 98.8 -2.0 62.1 78.6 -11.0 96 99 A F < - 0 0 7 -5,-0.8 -1,-0.4 -6,-0.3 149,-0.2 -0.494 61.3-127.1 -79.0 153.3 59.6 77.8 -8.3 97 100 A D S S+ 0 0 95 147,-0.2 2,-0.4 1,-0.2 148,-0.2 0.885 88.6 24.4 -64.0 -39.9 58.5 80.5 -5.9 98 101 A E E -C 244 0C 51 146,-2.2 146,-2.8 -7,-0.1 2,-0.4 -0.985 58.2-169.7-138.1 132.9 59.3 78.6 -2.8 99 102 A C E -C 243 0C 8 -2,-0.4 2,-0.4 144,-0.2 144,-0.2 -0.922 7.5-167.9-115.3 149.2 61.6 75.8 -1.7 100 103 A L E -C 242 0C 7 142,-2.1 142,-2.3 -2,-0.4 2,-0.2 -0.995 18.7-127.1-136.9 134.9 61.5 74.0 1.7 101 104 A L E -C 241 0C 27 -2,-0.4 2,-0.3 140,-0.2 140,-0.2 -0.513 26.3-178.2 -85.3 143.3 64.1 71.6 3.1 102 105 A S E -C 240 0C 11 138,-3.3 138,-2.9 -2,-0.2 3,-0.1 -0.906 38.8-112.3-136.6 161.8 63.3 68.1 4.3 103 106 A Q S S- 0 0 18 -2,-0.3 2,-0.3 136,-0.3 3,-0.1 0.651 93.7 -11.0 -74.3 -13.6 65.3 65.3 5.9 104 107 A S S > S- 0 0 11 135,-0.2 4,-1.9 1,-0.1 136,-0.4 -0.978 70.3 -97.8-168.4 170.7 64.9 63.0 2.8 105 108 A G H > S+ 0 0 8 134,-0.3 4,-2.0 -2,-0.3 5,-0.2 0.921 121.4 55.5 -62.2 -45.3 63.1 62.6 -0.5 106 109 A W H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.945 109.9 44.7 -54.2 -53.0 60.7 60.2 1.2 107 110 A N H > S+ 0 0 8 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.883 106.5 59.6 -59.5 -40.0 59.8 62.8 3.8 108 111 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.947 112.3 40.8 -53.5 -45.2 59.5 65.5 1.2 109 112 A N H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.908 117.7 44.5 -72.4 -47.4 56.8 63.4 -0.5 110 113 A V H X S+ 0 0 3 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.942 114.3 50.2 -59.1 -50.5 54.9 62.3 2.6 111 114 A G H X S+ 0 0 0 -4,-3.1 4,-1.4 -5,-0.2 -2,-0.2 0.915 112.1 46.4 -57.0 -46.9 55.0 65.7 4.2 112 115 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.4 5,-0.2 0.880 112.1 49.5 -66.1 -40.5 53.6 67.5 1.2 113 116 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.869 109.7 52.9 -66.6 -37.2 50.8 64.9 0.6 114 117 A Q H < S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 112.0 47.1 -62.8 -35.4 49.8 65.2 4.2 115 118 A T H < S+ 0 0 0 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.869 118.5 35.4 -81.0 -37.8 49.6 68.9 3.9 116 119 A I H < S+ 0 0 0 -4,-2.1 2,-0.3 -5,-0.1 -2,-0.2 0.694 104.6 89.4 -91.0 -14.7 47.6 69.2 0.7 117 120 A C < - 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