==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-NOV-98 1QPQ . COMPND 2 MOLECULE: QUINOLINATE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS H37RV; . AUTHOR V.SHARMA,C.GRUBMEYER,J.C.SACCHETTINI,TB STRUCTURAL GENOMICS . 1704 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1252 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 146 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 8.6 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 . 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 . 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 . 117 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 628 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.1 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 0 1 7 16 0 0 4 9 5 0 6 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 6 RESIDUES PER ALPHA HELIX . 6 4 14 6 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 PARALLEL BRIDGES PER LADDER . 1 6 0 6 6 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 6 0 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 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 G 0 0 93 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-155.8 -5.1 23.9 32.9 2 3 A L - 0 0 27 1,-0.1 2,-0.2 4,-0.1 0, 0.0 -0.400 360.0-133.5 -75.9 151.3 -7.3 23.3 29.9 3 4 A S > - 0 0 48 -2,-0.1 4,-3.3 1,-0.1 5,-0.2 -0.483 32.0 -95.0 -94.4 177.0 -11.0 22.9 30.5 4 5 A D H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.859 127.5 44.7 -61.0 -38.4 -13.2 20.2 29.0 5 6 A W H > S+ 0 0 90 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.904 116.5 44.2 -73.9 -44.3 -14.1 22.5 26.1 6 7 A E H > S+ 0 0 12 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.888 113.0 54.1 -67.2 -36.6 -10.6 23.8 25.5 7 8 A L H X S+ 0 0 51 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.940 110.7 44.4 -62.2 -49.9 -9.3 20.2 25.8 8 9 A A H X S+ 0 0 50 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.826 113.8 50.6 -63.5 -37.0 -11.8 18.9 23.2 9 10 A A H X S+ 0 0 12 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.953 110.6 50.6 -65.7 -45.8 -10.9 21.9 21.0 10 11 A A H X S+ 0 0 0 -4,-3.3 4,-3.1 1,-0.2 5,-0.3 0.949 110.8 47.6 -56.3 -51.4 -7.2 21.0 21.5 11 12 A R H X S+ 0 0 109 -4,-2.8 4,-2.4 1,-0.3 -1,-0.2 0.855 111.8 51.1 -59.7 -38.2 -7.8 17.3 20.5 12 13 A A H X S+ 0 0 34 -4,-1.9 4,-1.8 2,-0.2 -1,-0.3 0.911 112.5 46.3 -66.4 -41.1 -9.7 18.4 17.5 13 14 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 3,-0.3 0.969 112.4 48.0 -66.6 -50.3 -6.9 20.7 16.4 14 15 A I H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.3 5,-0.3 0.907 110.7 54.2 -59.6 -37.0 -4.1 18.2 17.0 15 16 A A H X S+ 0 0 52 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.3 0.896 110.5 44.8 -62.8 -40.5 -6.2 15.7 15.1 16 17 A R H X S+ 0 0 52 -4,-1.8 4,-1.8 -3,-0.3 412,-0.3 0.914 112.6 53.4 -69.4 -40.0 -6.5 18.1 12.1 17 18 A G H X S+ 0 0 2 -4,-3.1 4,-1.7 1,-0.2 3,-0.3 0.959 110.5 44.4 -57.1 -55.3 -2.8 18.9 12.3 18 19 A L H X S+ 0 0 17 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.859 109.8 56.0 -58.9 -41.1 -1.6 15.3 12.2 19 20 A D H X S+ 0 0 79 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.865 104.5 53.7 -63.3 -33.0 -3.9 14.4 9.4 20 21 A E H < S+ 0 0 12 -4,-1.8 4,-0.3 -3,-0.3 -1,-0.2 0.943 113.2 43.8 -65.7 -41.3 -2.4 17.2 7.3 21 22 A D H < S+ 0 0 0 -4,-1.7 428,-2.2 1,-0.2 429,-0.9 0.848 121.9 36.0 -69.4 -36.8 1.0 15.7 7.9 22 23 A L H >< S+ 0 0 68 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.508 86.5 98.4 -98.1 -5.6 0.1 12.1 7.3 23 24 A R T 3< S+ 0 0 87 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.759 88.2 44.1 -53.3 -31.2 -2.4 12.6 4.5 24 25 A Y T 3 S- 0 0 79 1,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.549 128.1 -63.4 -95.7 -7.3 0.2 11.8 1.9 25 26 A G S < S- 0 0 23 -3,-1.4 425,-0.6 -4,-0.1 -1,-0.4 -0.818 70.7 -49.3 146.4 176.4 1.9 8.8 3.4 26 27 A P - 0 0 83 0, 0.0 2,-2.5 0, 0.0 3,-0.2 -0.143 68.2 -82.3 -76.2 173.6 3.9 8.0 6.5 27 28 A D >> + 0 0 8 1,-0.2 4,-2.1 2,-0.1 3,-0.7 -0.481 54.3 178.5 -75.6 79.3 6.9 9.8 7.8 28 29 A V H 3> S+ 0 0 21 -2,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.873 71.4 55.7 -53.3 -41.8 9.3 8.1 5.4 29 30 A T H 3> S+ 0 0 1 420,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.830 111.5 40.6 -66.2 -34.4 12.4 9.9 6.5 30 31 A T H <> S+ 0 0 0 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.843 113.4 54.8 -83.7 -28.1 12.1 9.0 10.2 31 32 A L H < S+ 0 0 76 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.899 112.0 45.0 -65.8 -39.5 11.1 5.5 9.5 32 33 A A H < S+ 0 0 31 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.747 123.7 33.2 -77.0 -21.5 14.2 5.2 7.3 33 34 A T H < S+ 0 0 14 -4,-0.9 -2,-0.2 -5,-0.2 -3,-0.2 0.733 112.2 50.7-107.3 -29.7 16.6 6.8 9.9 34 35 A V S < S- 0 0 2 -4,-2.9 -1,-0.2 -5,-0.1 2,-0.1 -0.944 75.2-128.6-120.8 129.3 15.4 5.9 13.4 35 36 A P > - 0 0 71 0, 0.0 3,-2.1 0, 0.0 62,-0.4 -0.451 22.5-116.5 -71.5 153.1 14.6 2.5 14.7 36 37 A A T 3 S+ 0 0 55 1,-0.3 62,-0.1 -2,-0.1 61,-0.1 0.811 114.8 57.0 -55.9 -33.5 11.4 1.6 16.4 37 38 A S T 3 S+ 0 0 108 58,-0.1 -1,-0.3 59,-0.1 -3,-0.0 0.596 81.9 118.8 -77.4 -10.6 13.3 0.9 19.6 38 39 A A < + 0 0 24 -3,-2.1 58,-1.4 57,-0.1 59,-0.4 -0.277 37.8 179.0 -62.1 146.4 14.9 4.3 19.8 39 40 A T E +A 95 0A 91 56,-0.3 2,-0.3 57,-0.1 56,-0.2 -0.991 1.5 173.5-147.9 140.0 14.3 6.5 22.8 40 41 A T E -A 94 0A 35 54,-2.6 54,-2.5 -2,-0.3 2,-0.5 -0.898 34.5-120.7-141.7 173.7 15.5 10.0 23.7 41 42 A T E +A 93 0A 67 -2,-0.3 2,-0.3 52,-0.3 52,-0.3 -0.927 42.3 178.6-114.2 130.5 15.3 12.9 26.1 42 43 A A E -A 92 0A 2 50,-2.4 50,-2.5 -2,-0.5 2,-0.4 -0.956 15.9-145.3-135.6 157.3 14.2 15.9 24.2 43 44 A S E -AB 91 283A 23 240,-2.7 240,-3.3 -2,-0.3 2,-0.8 -0.965 13.4-139.1-130.9 141.9 13.5 19.5 25.2 44 45 A L E +AB 90 282A 1 46,-2.7 45,-3.0 -2,-0.4 46,-1.0 -0.914 39.9 178.4 -89.8 110.7 11.1 22.1 24.0 45 46 A V E -AB 88 281A 8 236,-2.9 236,-3.0 -2,-0.8 43,-0.2 -0.982 26.3-124.5-124.4 135.2 13.3 25.1 24.1 46 47 A T E - B 0 280A 0 41,-2.1 234,-0.3 -2,-0.4 3,-0.1 -0.389 6.0-159.2 -71.6 144.9 12.5 28.7 23.2 47 48 A R S S+ 0 0 54 232,-3.3 1319,-0.3 39,-0.1 2,-0.3 0.441 81.8 23.4 -96.2 -5.2 14.7 30.5 20.7 48 49 A E S S- 0 0 46 231,-0.8 2,-0.2 37,-0.4 39,-0.2 -0.929 89.7 -87.6-152.3 169.4 13.4 33.8 22.1 49 50 A A + 0 0 46 -2,-0.3 2,-0.3 -3,-0.1 230,-0.1 -0.513 62.5 101.9 -83.9 155.5 11.8 35.4 25.1 50 51 A G E -D 83 0B 0 33,-2.0 33,-4.0 -2,-0.2 2,-0.4 -0.980 68.6 -58.7 164.3-166.8 8.1 35.5 25.8 51 52 A V E -D 82 0B 5 63,-0.4 2,-0.4 -2,-0.3 67,-0.3 -0.897 48.4-131.3-110.2 135.7 5.3 34.0 27.8 52 53 A V + 0 0 0 29,-1.9 28,-3.8 -2,-0.4 2,-0.3 -0.756 33.2 160.5 -94.1 137.7 4.5 30.3 27.5 53 54 A A + 0 0 0 57,-0.4 61,-0.2 -2,-0.4 60,-0.1 -0.981 51.8 37.3-151.5 145.2 1.1 29.0 26.8 54 55 A G >> + 0 0 0 -2,-0.3 4,-0.8 59,-0.1 3,-0.5 0.632 57.9 138.4 91.6 15.6 -0.3 25.7 25.4 55 56 A L H 3> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.815 72.7 59.4 -62.4 -30.9 2.2 23.2 27.0 56 57 A D H 3> S+ 0 0 39 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.869 96.9 60.1 -65.3 -34.9 -0.7 20.9 27.7 57 58 A V H <> S+ 0 0 0 -3,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.833 101.9 54.9 -62.2 -26.2 -1.4 20.8 24.0 58 59 A A H X S+ 0 0 0 -4,-0.8 4,-1.7 -3,-0.5 3,-0.4 0.950 108.1 46.6 -70.2 -50.8 2.1 19.4 23.6 59 60 A L H X S+ 0 0 22 -4,-1.6 4,-2.6 1,-0.2 3,-0.3 0.940 110.0 54.9 -57.3 -43.9 1.4 16.6 26.0 60 61 A L H X S+ 0 0 12 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.794 104.5 54.0 -60.3 -32.4 -2.0 15.9 24.2 61 62 A T H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.4 -1,-0.2 0.891 109.6 47.5 -69.2 -39.2 -0.2 15.6 20.8 62 63 A L H X>S+ 0 0 0 -4,-1.7 4,-3.5 -3,-0.3 5,-1.3 0.969 107.7 55.3 -66.9 -48.7 2.1 12.9 22.3 63 64 A N H X5S+ 0 0 44 -4,-2.6 4,-0.9 1,-0.3 -1,-0.2 0.915 111.4 46.0 -48.5 -45.7 -0.9 11.1 23.9 64 65 A E H <5S+ 0 0 108 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.882 125.2 30.2 -65.9 -38.7 -2.3 10.9 20.4 65 66 A V H <5S+ 0 0 49 -4,-2.0 -2,-0.2 -3,-0.3 -3,-0.2 0.904 136.3 19.7 -89.2 -47.6 1.0 9.8 18.8 66 67 A L H <5S- 0 0 27 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.1 0.535 101.9-121.2-100.6 -12.5 2.8 7.8 21.5 67 68 A G ><< - 0 0 30 -5,-1.3 3,-2.4 -4,-0.9 4,-0.3 0.162 38.4 -74.5 83.6 152.2 0.0 6.9 23.8 68 69 A T G > S+ 0 0 98 1,-0.3 3,-0.8 -5,-0.2 -1,-0.2 0.851 135.6 45.2 -50.5 -42.4 -0.0 7.8 27.5 69 70 A N G 3 S+ 0 0 169 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.085 93.1 86.5 -92.3 24.6 2.6 5.2 28.4 70 71 A G G < S+ 0 0 23 -3,-2.4 25,-1.1 1,-0.1 2,-0.3 0.569 93.8 23.1-100.4 -5.7 4.7 6.2 25.4 71 72 A Y E < -C 94 0A 41 -3,-0.8 2,-0.4 -4,-0.3 23,-0.2 -0.966 60.4-139.9-154.4 167.2 6.6 9.0 27.1 72 73 A R E -C 93 0A 134 21,-3.0 21,-3.0 -2,-0.3 2,-0.9 -0.997 13.9-142.2-138.3 127.5 7.8 10.5 30.4 73 74 A V E +C 92 0A 53 -2,-0.4 19,-0.3 19,-0.2 3,-0.1 -0.815 19.8 176.9 -92.3 106.8 7.8 14.1 31.3 74 75 A L E - 0 0 68 17,-1.3 2,-0.3 -2,-0.9 18,-0.2 0.837 68.8 -3.2 -77.0 -33.7 11.0 14.7 33.4 75 76 A D E +C 91 0A 106 16,-2.5 16,-2.9 -3,-0.1 2,-0.3 -0.992 61.6 175.1-160.1 151.2 10.4 18.4 33.7 76 77 A R E -C 90 0A 61 -2,-0.3 14,-0.3 14,-0.3 2,-0.2 -0.990 23.1-129.9-156.9 156.9 8.1 21.2 32.6 77 78 A V - 0 0 28 12,-2.7 2,-0.3 -2,-0.3 12,-0.1 -0.584 37.6-102.9-101.5 162.8 7.4 24.8 33.1 78 79 A E > - 0 0 132 -2,-0.2 3,-1.4 1,-0.1 -26,-0.2 -0.649 36.5-101.2 -90.6 149.3 4.0 26.2 34.0 79 80 A D T 3 S+ 0 0 32 -2,-0.3 -26,-0.2 1,-0.2 3,-0.1 -0.396 110.4 37.4 -60.5 144.0 1.8 27.9 31.4 80 81 A G T 3 S+ 0 0 35 -28,-3.8 2,-0.3 1,-0.3 -1,-0.2 0.452 82.5 143.0 92.5 0.3 2.0 31.7 31.9 81 82 A A < - 0 0 29 -3,-1.4 -29,-1.9 -29,-0.3 2,-0.5 -0.582 52.8-128.6 -79.6 135.9 5.7 31.7 32.7 82 83 A R E -D 51 0B 153 -2,-0.3 -31,-0.3 -31,-0.2 -1,-0.1 -0.728 37.9-165.3 -82.2 127.5 7.8 34.5 31.5 83 84 A V E -D 50 0B 4 -33,-4.0 -33,-2.0 -2,-0.5 6,-0.0 -0.901 17.0-137.2-131.1 139.2 10.7 32.8 29.7 84 85 A P > - 0 0 51 0, 0.0 3,-1.6 0, 0.0 -38,-0.2 -0.398 42.7 -85.8 -82.7 167.0 14.2 33.8 28.4 85 86 A P T 3 S+ 0 0 28 0, 0.0 2,-0.8 0, 0.0 -37,-0.4 0.895 119.2 32.7 -41.3 -74.9 15.7 32.7 25.1 86 87 A G T 3 S+ 0 0 0 1279,-0.2 2,-0.2 -39,-0.2 -39,-0.1 0.121 87.3 142.9 -81.2 34.5 17.4 29.4 25.6 87 88 A E < - 0 0 57 -3,-1.6 -41,-2.1 -2,-0.8 2,-0.7 -0.459 50.6-132.2 -75.1 141.1 14.8 28.3 28.2 88 89 A A E -A 45 0A 34 -43,-0.2 -43,-0.3 1,-0.2 3,-0.2 -0.842 21.0-175.6 -94.3 111.0 13.7 24.6 28.4 89 90 A L E S- 0 0 0 -45,-3.0 -12,-2.7 -2,-0.7 2,-0.3 0.803 71.6 -1.3 -75.4 -35.4 9.9 24.7 28.6 90 91 A M E -AC 44 76A 1 -46,-1.0 -46,-2.7 -14,-0.3 2,-0.5 -0.946 59.6-159.0-160.9 135.4 9.6 20.9 29.0 91 92 A T E +AC 43 75A 30 -16,-2.9 -16,-2.5 -2,-0.3 -17,-1.3 -0.982 24.9 167.2-119.8 128.8 12.0 18.0 29.0 92 93 A L E -AC 42 73A 0 -50,-2.5 -50,-2.4 -2,-0.5 2,-0.5 -0.902 32.6-135.8-138.4 168.7 10.7 14.5 28.3 93 94 A E E +AC 41 72A 64 -21,-3.0 -21,-3.0 -2,-0.3 2,-0.3 -0.997 43.7 139.7-127.4 121.4 11.9 11.0 27.5 94 95 A A E -AC 40 71A 3 -54,-2.5 -54,-2.6 -2,-0.5 2,-0.2 -0.957 58.1 -66.1-153.8 174.2 10.0 9.3 24.7 95 96 A Q E > -A 39 0A 61 -25,-1.1 4,-1.7 -2,-0.3 -56,-0.3 -0.502 46.5-135.2 -66.0 132.1 10.3 7.0 21.7 96 97 A T H > S+ 0 0 6 -58,-1.4 4,-2.2 -2,-0.2 5,-0.2 0.913 98.7 53.4 -59.3 -46.9 12.2 8.9 19.1 97 98 A R H > S+ 0 0 66 -62,-0.4 4,-1.4 -59,-0.4 -1,-0.2 0.885 108.3 50.8 -57.3 -41.3 10.0 8.1 16.1 98 99 A G H > S+ 0 0 3 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 109.6 50.9 -63.2 -44.4 6.9 9.3 17.9 99 100 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.927 108.5 50.3 -58.3 -49.5 8.6 12.6 18.8 100 101 A L H < S+ 0 0 11 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.771 113.4 45.9 -64.7 -26.2 9.8 13.4 15.2 101 102 A T H < S+ 0 0 22 -4,-1.4 4,-0.4 -5,-0.2 -1,-0.2 0.828 117.1 43.1 -84.5 -33.8 6.3 12.8 13.8 102 103 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 3,-0.2 0.761 94.2 88.9 -77.8 -31.6 4.6 14.8 16.5 103 104 A E H X S+ 0 0 18 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.804 84.7 43.5 -33.5 -66.4 7.1 17.7 16.5 104 105 A R H > S+ 0 0 31 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.920 117.1 45.5 -58.5 -44.7 5.8 20.1 13.8 105 106 A T H > S+ 0 0 4 -4,-0.4 4,-1.7 -3,-0.2 -1,-0.2 0.895 116.0 47.7 -65.4 -38.6 2.2 19.9 14.9 106 107 A M H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.977 114.2 45.3 -67.4 -51.1 3.2 20.3 18.6 107 108 A L H X S+ 0 0 6 -4,-3.1 4,-2.0 1,-0.2 5,-0.2 0.830 109.8 55.5 -59.8 -42.9 5.5 23.2 17.8 108 109 A N H X S+ 0 0 16 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.875 111.6 43.9 -59.6 -41.4 3.0 25.0 15.6 109 110 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 -3,-0.2 5,-0.3 0.978 118.1 40.0 -70.0 -56.5 0.3 24.9 18.3 110 111 A V H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -57,-0.4 0.780 114.7 54.2 -66.0 -26.8 2.4 26.0 21.3 111 112 A G H X S+ 0 0 1 -4,-2.0 167,-2.2 -5,-0.3 4,-2.1 0.911 111.7 45.1 -71.3 -42.6 4.3 28.5 19.2 112 113 A H H X S+ 0 0 13 -4,-1.5 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