==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-FEB-12 4DQW . COMPND 2 MOLECULE: INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR G.LABESSE,H.MUNIER-LEHMANN . 819 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40048.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 550 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 8.4 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 52 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.8 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 0 4 0 1 1 8 2 4 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 9 4 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 . 9 2 4 1 3 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 . 4 0 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 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 0 230 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 25.8 -65.2 -39.7 -20.1 2 2 A L - 0 0 143 2,-0.1 2,-1.3 0, 0.0 0, 0.0 -0.912 360.0-122.3 -93.6 136.5 -63.7 -39.8 -16.6 3 3 A R + 0 0 235 -2,-0.5 2,-0.5 2,-0.0 0, 0.0 -0.605 46.6 156.7 -97.3 84.1 -60.4 -38.0 -16.9 4 4 A I - 0 0 119 -2,-1.3 3,-0.1 1,-0.2 -2,-0.1 -0.912 24.0-166.6-105.4 127.7 -57.5 -40.2 -15.8 5 5 A S - 0 0 124 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.941 61.0 -49.1 -77.6 -47.3 -54.1 -39.4 -17.2 6 6 A Q - 0 0 95 2,-0.0 2,-0.5 0, 0.0 -1,-0.2 -0.930 59.0 -77.4-165.3-179.0 -52.3 -42.6 -16.2 7 7 A E - 0 0 136 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.0 -0.930 48.4-152.6 -97.0 130.5 -51.6 -45.2 -13.5 8 8 A A - 0 0 30 -2,-0.5 2,-0.4 309,-0.0 308,-0.1 -0.843 2.3-146.7-110.2 140.9 -48.9 -43.8 -11.1 9 9 A L - 0 0 32 -2,-0.4 309,-1.7 306,-0.3 308,-0.4 -0.824 8.2-165.4-110.5 140.2 -46.5 -45.8 -9.1 10 10 A T > - 0 0 39 -2,-0.4 3,-1.6 307,-0.2 4,-0.3 -0.542 46.1 -83.9-105.3-176.0 -44.9 -45.2 -5.6 11 11 A F G > S+ 0 0 4 1,-0.3 3,-1.4 -2,-0.2 329,-0.0 0.864 125.0 55.6 -59.3 -43.9 -41.9 -46.8 -4.0 12 12 A D G 3 S+ 0 0 82 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.482 99.4 64.1 -70.8 -3.8 -43.9 -49.9 -2.6 13 13 A D G < S+ 0 0 45 -3,-1.6 401,-2.5 400,-0.1 2,-0.3 0.538 103.7 46.3 -92.7 -10.4 -45.1 -50.7 -6.2 14 14 A V E < -A 413 0A 4 -3,-1.4 2,-0.3 -4,-0.3 399,-0.2 -0.918 55.6-166.4-135.8 157.4 -41.7 -51.5 -7.6 15 15 A L E -A 412 0A 88 397,-2.2 397,-2.8 -2,-0.3 2,-0.3 -0.978 31.7-107.9-137.2 150.6 -38.4 -53.3 -6.9 16 16 A L E -A 411 0A 42 -2,-0.3 395,-0.2 395,-0.2 332,-0.0 -0.631 28.8-133.8 -83.3 133.4 -34.9 -53.1 -8.6 17 17 A I - 0 0 61 393,-2.2 393,-0.4 -2,-0.3 2,-0.0 -0.731 24.7-118.5 -89.3 126.2 -33.9 -56.1 -10.8 18 18 A P - 0 0 93 0, 0.0 379,-0.3 0, 0.0 2,-0.2 -0.338 36.3-172.5 -69.5 147.9 -30.3 -57.3 -10.2 19 19 A G - 0 0 36 377,-2.6 2,-0.1 376,-0.1 379,-0.1 -0.792 37.4 -60.5-134.3 172.2 -27.8 -57.2 -13.0 20 20 A Y - 0 0 189 -2,-0.2 2,-0.5 377,-0.1 -1,-0.0 -0.382 59.3-165.9 -59.3 128.4 -24.3 -58.2 -14.1 21 21 A S + 0 0 49 -2,-0.1 377,-0.1 1,-0.1 378,-0.1 -0.961 32.3 162.1-134.7 117.0 -22.0 -56.6 -11.6 22 22 A E + 0 0 152 -2,-0.5 2,-0.4 376,-0.2 -1,-0.1 0.630 65.4 69.5-102.5 -21.1 -18.3 -56.1 -11.7 23 23 A V S S- 0 0 45 371,-0.2 375,-0.2 372,-0.1 5,-0.1 -0.860 76.8-129.2-106.7 135.6 -17.8 -53.3 -9.0 24 24 A L >> - 0 0 99 -2,-0.4 3,-2.5 1,-0.1 4,-0.7 -0.430 26.6-109.3 -80.4 153.7 -18.4 -53.9 -5.3 25 25 A P G >4 S+ 0 0 50 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.871 119.6 54.8 -47.4 -44.4 -20.6 -51.6 -3.2 26 26 A K G 34 S+ 0 0 148 1,-0.2 366,-0.0 366,-0.0 365,-0.0 0.669 109.2 49.8 -64.9 -16.6 -17.6 -50.1 -1.4 27 27 A D G <4 S+ 0 0 102 -3,-2.5 -1,-0.2 364,-0.1 2,-0.1 0.423 84.7 104.1-106.2 -3.0 -16.0 -49.2 -4.8 28 28 A V S << S- 0 0 6 -3,-1.2 2,-0.4 -4,-0.7 373,-0.2 -0.493 71.2-119.3 -77.7 154.7 -18.9 -47.4 -6.5 29 29 A S - 0 0 45 371,-2.7 373,-0.4 -2,-0.1 -2,-0.1 -0.828 22.9-174.5-100.0 132.5 -18.9 -43.6 -6.8 30 30 A L + 0 0 7 -2,-0.4 -1,-0.1 11,-0.2 371,-0.1 0.342 39.0 128.8-105.6 2.1 -21.7 -41.6 -5.2 31 31 A K + 0 0 137 11,-0.1 371,-0.4 12,-0.1 10,-0.3 -0.366 28.8 150.8 -68.9 139.3 -20.9 -38.1 -6.4 32 32 A T E -B 40 0B 13 8,-3.1 8,-1.4 10,-0.1 2,-0.4 -0.696 41.6 -87.2-145.1-167.9 -23.7 -36.2 -8.1 33 33 A R E -B 39 0B 111 6,-0.2 6,-0.3 -2,-0.2 301,-0.1 -0.973 17.4-175.1-117.7 136.9 -25.1 -32.7 -8.7 34 34 A L E S- 0 0 0 4,-2.5 2,-0.3 -2,-0.4 5,-0.2 0.831 83.6 -4.8 -86.7 -45.9 -27.4 -30.6 -6.5 35 35 A T E > S-B 38 0B 0 3,-1.5 3,-1.7 258,-0.1 -1,-0.4 -0.897 89.1 -88.0-139.0 171.5 -27.8 -27.8 -9.1 36 36 A R T 3 S+ 0 0 123 256,-2.0 257,-0.1 -2,-0.3 3,-0.0 0.768 130.4 32.1 -57.3 -22.3 -26.2 -27.2 -12.4 37 37 A G T 3 S+ 0 0 45 1,-0.1 2,-0.4 255,-0.1 -1,-0.3 0.251 109.3 73.0-116.2 12.3 -23.3 -25.4 -10.6 38 38 A I E < -B 35 0B 0 -3,-1.7 -4,-2.5 174,-0.0 -3,-1.5 -0.987 60.0-161.2-133.0 126.7 -23.1 -27.2 -7.3 39 39 A E E -B 33 0B 122 -2,-0.4 2,-0.4 -6,-0.3 -6,-0.2 -0.876 1.1-163.3-112.4 135.8 -21.7 -30.8 -6.8 40 40 A L E -B 32 0B 0 -8,-1.4 -8,-3.1 -2,-0.4 26,-0.2 -0.874 18.7-147.8-110.6 147.1 -22.3 -33.1 -3.9 41 41 A N S S+ 0 0 48 24,-1.3 -11,-0.2 167,-0.4 25,-0.2 0.700 92.5 36.5 -84.0 -23.4 -20.2 -36.1 -3.1 42 42 A I S S- 0 0 7 23,-1.8 2,-1.7 2,-0.2 -1,-0.1 -0.979 86.5-121.0-126.7 150.3 -23.3 -37.8 -1.8 43 43 A P S S+ 0 0 0 0, 0.0 314,-2.2 0, 0.0 2,-0.4 -0.213 71.2 119.2 -80.0 51.3 -26.9 -37.6 -3.0 44 44 A L E +c 357 0C 0 -2,-1.7 23,-1.1 312,-0.2 2,-0.4 -0.960 32.5 171.8-124.6 133.3 -28.3 -36.3 0.2 45 45 A V E -cd 358 67C 1 312,-2.3 314,-2.1 -2,-0.4 2,-0.3 -0.999 24.9-136.1-132.2 135.3 -30.1 -33.0 1.1 46 46 A S E -cd 359 68C 0 21,-2.1 23,-1.0 -2,-0.4 314,-0.2 -0.735 31.6-108.6 -92.6 143.7 -31.8 -32.2 4.4 47 47 A A - 0 0 6 312,-2.1 2,-1.7 -2,-0.3 6,-0.7 -0.198 21.5-109.5 -80.2 159.2 -35.2 -30.5 4.3 48 48 A A + 0 0 20 22,-0.1 2,-0.3 4,-0.1 24,-0.3 -0.577 69.4 128.2 -87.0 75.8 -36.2 -26.9 5.2 49 49 A M >> - 0 0 78 -2,-1.7 3,-1.9 20,-0.2 4,-1.1 -0.984 66.2-127.9-132.8 144.5 -38.1 -27.6 8.4 50 50 A D T 34 S+ 0 0 83 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.666 115.0 52.0 -63.4 -17.5 -37.8 -26.0 11.9 51 51 A T T 34 S+ 0 0 75 318,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.513 123.2 25.4 -90.0 -5.8 -37.6 -29.6 13.2 52 52 A V T <4 S+ 0 0 0 -3,-1.9 2,-0.7 1,-0.2 5,-0.2 0.746 109.6 39.4-124.5 -72.4 -34.8 -30.6 10.8 53 53 A T < + 0 0 0 -4,-1.1 18,-1.7 -6,-0.7 2,-0.2 -0.821 55.2 130.1-111.7 105.9 -32.3 -28.1 9.2 54 54 A E S > S- 0 0 55 -2,-0.7 4,-2.6 16,-0.2 3,-0.3 -0.595 77.5 -71.1-119.4-170.2 -30.8 -25.1 11.0 55 55 A A H > S+ 0 0 4 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.881 127.7 59.6 -49.2 -46.7 -27.0 -24.2 11.1 56 56 A R H > S+ 0 0 134 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.908 116.6 30.1 -55.3 -50.3 -26.1 -27.1 13.4 57 57 A L H > S+ 0 0 0 311,-0.4 4,-3.1 -3,-0.3 5,-0.3 0.848 113.3 64.1 -78.3 -37.6 -27.3 -29.9 11.0 58 58 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 10,-0.3 0.889 105.8 46.6 -47.5 -47.0 -26.6 -27.8 7.9 59 59 A I H X S+ 0 0 25 -4,-2.7 4,-2.8 -5,-0.2 3,-0.3 0.973 111.2 50.9 -56.6 -57.1 -22.9 -28.0 8.9 60 60 A A H X S+ 0 0 9 -4,-1.4 4,-2.1 1,-0.3 -2,-0.2 0.873 111.0 48.5 -51.8 -46.0 -23.1 -31.8 9.5 61 61 A M H X>S+ 0 0 0 -4,-3.1 5,-2.6 2,-0.2 4,-0.8 0.847 111.2 49.6 -64.7 -39.4 -24.7 -32.4 6.1 62 62 A A H ><5S+ 0 0 0 -4,-1.7 148,-2.5 -3,-0.3 3,-0.8 0.938 112.3 47.9 -65.4 -45.2 -22.1 -30.3 4.3 63 63 A Q H 3<5S+ 0 0 19 -4,-2.8 145,-0.2 146,-0.3 146,-0.2 0.847 108.0 55.2 -63.2 -36.8 -19.3 -32.2 6.2 64 64 A E H 3<5S- 0 0 50 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.692 127.7 -97.5 -69.1 -21.1 -20.8 -35.6 5.3 65 65 A G T <<5S+ 0 0 0 -4,-0.8 -23,-1.8 -3,-0.8 -24,-1.3 0.338 97.0 81.2 117.8 -2.7 -20.8 -34.6 1.6 66 66 A G S - 0 0 35 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.119 48.9-112.7 -55.7 157.0 -36.8 -13.7 11.4 76 76 A I H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.934 117.9 45.9 -58.1 -49.0 -34.9 -12.6 8.2 77 77 A E H > S+ 0 0 113 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.795 111.1 54.4 -67.4 -27.9 -31.8 -11.6 10.2 78 78 A Q H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.942 108.7 46.9 -69.3 -48.3 -31.9 -14.8 12.2 79 79 A Q H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.861 113.1 49.3 -60.8 -39.3 -32.0 -17.0 9.0 80 80 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.882 107.2 54.9 -70.2 -37.4 -29.1 -15.1 7.5 81 81 A A H X S+ 0 0 28 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.806 106.2 52.6 -64.6 -30.9 -27.1 -15.4 10.7 82 82 A E H X S+ 0 0 20 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.916 108.5 49.6 -66.2 -44.9 -27.6 -19.2 10.5 83 83 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.907 110.0 52.4 -58.8 -42.3 -26.2 -19.0 6.9 84 84 A R H X S+ 0 0 75 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.933 105.3 54.9 -57.1 -47.5 -23.3 -17.0 8.3 85 85 A K H < S+ 0 0 111 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.920 112.6 41.6 -53.6 -48.0 -22.6 -19.7 10.9 86 86 A V H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 131,-0.5 0.916 115.1 49.9 -69.2 -42.7 -22.3 -22.5 8.3 87 87 A K H 3< S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.728 116.3 42.2 -69.8 -22.7 -20.3 -20.4 5.8 88 88 A K T 3< S+ 0 0 104 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.2 0.365 87.6 124.7-103.4 4.4 -17.8 -19.3 8.5 89 89 A H < - 0 0 57 -3,-1.0 2,-0.3 -4,-0.4 128,-0.3 -0.503 33.7-177.8 -79.6 125.7 -17.4 -22.7 10.2 90 90 A E > - 0 0 107 3,-0.4 3,-1.7 -2,-0.4 5,-0.1 -0.896 41.8 -88.9-109.0 147.4 -14.0 -24.3 10.7 91 91 A T T 3 S- 0 0 55 -2,-0.3 112,-0.1 1,-0.3 3,-0.1 -0.363 103.4 -6.9 -72.2 161.5 -13.7 -27.7 12.4 92 92 A A T 3 S+ 0 0 19 110,-0.2 2,-0.5 107,-0.2 -1,-0.3 0.551 100.9 121.1 -28.8 76.0 -13.4 -27.7 15.9 93 93 A I < - 0 0 44 -3,-1.7 2,-0.9 102,-0.1 -3,-0.4 -0.988 50.2-154.6-123.1 122.7 -13.1 -23.9 16.3 94 94 A V B -K 194 0D 58 100,-2.3 100,-2.5 -2,-0.5 -3,-0.0 -0.872 16.5-174.5 -77.7 108.7 -15.5 -21.9 18.4 95 95 A R S S+ 0 0 128 -2,-0.9 -1,-0.1 1,-0.2 100,-0.1 0.423 78.7 37.2 -92.5 6.2 -14.9 -18.6 16.5 96 96 A D S S+ 0 0 148 98,-0.1 -1,-0.2 2,-0.0 3,-0.1 -0.413 82.0 176.4-149.7 63.6 -17.1 -16.7 19.0 97 97 A P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 24,-0.1 -0.265 42.3 -93.3 -69.9 157.0 -16.4 -18.1 22.4 98 98 A V - 0 0 40 22,-0.1 2,-0.2 1,-0.0 -2,-0.0 -0.539 55.1-167.7 -69.9 135.4 -18.0 -16.7 25.5 99 99 A T - 0 0 55 -2,-0.2 2,-0.2 22,-0.2 24,-0.2 -0.694 17.9-159.6-121.4 170.6 -15.5 -14.1 27.0 100 100 A V B -n 123 0E 6 22,-2.4 24,-2.8 -2,-0.2 3,-0.0 -0.759 15.7-129.0-135.0-167.7 -14.8 -12.1 30.1 101 101 A T > - 0 0 49 22,-0.3 3,-3.4 -2,-0.2 47,-0.4 -0.992 29.4-103.9-152.7 140.3 -12.8 -8.9 30.9 102 102 A P T 3 S+ 0 0 27 0, 0.0 47,-2.4 0, 0.0 46,-0.4 0.796 120.0 47.2 -40.1 -41.2 -10.2 -8.0 33.6 103 103 A S T 3 S+ 0 0 87 45,-0.2 2,-0.4 44,-0.2 0, 0.0 0.414 78.5 116.7 -88.1 3.3 -12.7 -6.0 35.5 104 104 A T S < S- 0 0 19 -3,-3.4 44,-1.6 1,-0.1 45,-0.1 -0.587 71.3-118.5 -74.2 127.1 -15.6 -8.6 35.6 105 105 A K B > -R 147 0F 119 -2,-0.4 4,-1.1 42,-0.2 3,-0.2 -0.202 13.5-119.5 -68.4 156.8 -16.1 -9.5 39.2 106 106 A I H > S+ 0 0 18 40,-2.0 4,-2.4 1,-0.2 5,-0.2 0.779 113.6 64.3 -71.9 -28.4 -15.6 -13.1 40.3 107 107 A I H > S+ 0 0 113 39,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.937 104.0 47.5 -51.2 -51.1 -19.2 -13.2 41.5 108 108 A E H > S+ 0 0 86 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.827 109.6 54.9 -59.8 -33.7 -20.2 -12.7 37.7 109 109 A L H X S+ 0 0 0 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.960 107.5 45.8 -70.5 -52.1 -17.7 -15.4 36.7 110 110 A L H X S+ 0 0 81 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.894 114.8 51.7 -52.5 -43.6 -19.1 -18.2 39.0 111 111 A Q H X S+ 0 0 110 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.895 111.2 45.1 -58.4 -45.2 -22.5 -17.1 37.7 112 112 A M H >X S+ 0 0 35 -4,-2.1 4,-1.4 1,-0.2 3,-1.3 0.973 109.7 55.7 -62.0 -90.0 -21.6 -17.3 34.0 113 113 A A H 3X>S+ 0 0 14 -4,-0.9 4,-1.7 1,-0.3 5,-0.8 0.527 109.0 45.0 40.2 -94.5 -19.9 -20.6 34.5 114 114 A R H 3<5S+ 0 0 179 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.914 111.3 54.0 -40.9 -59.3 -22.9 -22.3 36.0 115 115 A E H <<5S+ 0 0 156 -4,-2.1 -2,-0.3 -3,-1.3 -1,-0.2 0.828 117.9 36.4 -54.7 -33.6 -25.3 -20.7 33.3 116 116 A Y H <5S- 0 0 104 -4,-1.4 -1,-0.2 2,-0.3 -3,-0.2 0.696 99.8-126.8 -96.7 -26.1 -23.1 -22.2 30.5 117 117 A G T <5S+ 0 0 71 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.599 81.1 82.0 81.8 10.6 -21.9 -25.5 31.9 118 118 A F < - 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