==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-AUG-07 2QWX . COMPND 2 MOLECULE: RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.CALAMINI,B.D.SANTARSIERO,J.A.BOUTIN,A.D.MESECAR . 460 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.7 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 . 6 1.3 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 . 40 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 4.8 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 1 1 0 0 0 2 3 1 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 0 2 2 2 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 A 0 0 68 0, 0.0 33,-0.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 170.9 8.5 7.1 47.8 2 2 A G + 0 0 80 31,-0.6 2,-0.3 1,-0.3 32,-0.1 0.702 360.0 97.6 69.2 16.8 5.0 5.5 47.6 3 3 A K - 0 0 84 30,-0.2 32,-2.6 2,-0.0 2,-0.4 -0.986 65.6-141.8-140.6 149.5 5.6 5.8 43.8 4 4 A K E -a 35 0A 88 -2,-0.3 91,-3.5 30,-0.2 92,-1.6 -0.941 17.7-167.1-114.5 130.4 6.8 3.5 41.0 5 5 A V E -ab 36 96A 2 30,-3.0 32,-2.3 -2,-0.4 2,-0.5 -0.954 8.7-163.8-121.3 136.8 9.1 4.8 38.2 6 6 A L E -ab 37 97A 2 90,-2.4 92,-2.8 -2,-0.4 2,-0.6 -0.976 6.3-162.8-115.8 127.1 10.0 3.1 34.9 7 7 A I E -ab 38 98A 1 30,-2.8 32,-2.7 -2,-0.5 2,-0.7 -0.965 3.5-160.1-109.2 118.1 13.0 4.6 33.1 8 8 A V E -ab 39 99A 0 90,-2.8 92,-2.6 -2,-0.6 2,-0.4 -0.905 20.8-166.3 -99.2 113.6 13.1 3.5 29.4 9 9 A Y E -ab 40 100A 3 30,-2.7 32,-2.1 -2,-0.7 33,-0.4 -0.899 18.7-174.8-115.0 129.9 16.7 4.0 28.5 10 10 A A + 0 0 0 90,-2.6 2,-0.3 -2,-0.4 102,-0.1 -0.666 38.6 108.8-126.9 76.4 18.3 4.1 25.0 11 11 A H - 0 0 26 -2,-0.3 31,-0.2 90,-0.1 32,-0.2 -0.990 52.2-145.7-147.2 142.5 22.0 4.4 24.9 12 12 A Q S S+ 0 0 36 -2,-0.3 284,-0.1 1,-0.1 271,-0.1 0.660 81.5 66.4 -77.6 -20.6 24.7 1.9 23.9 13 13 A E > - 0 0 19 1,-0.1 3,-2.0 283,-0.1 6,-0.5 -0.914 57.9-161.5-116.6 114.9 27.4 3.1 26.3 14 14 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 281,-0.1 0.820 96.8 54.8 -58.2 -32.4 27.1 2.8 30.1 15 15 A K T 3 S+ 0 0 137 4,-0.1 280,-0.0 5,-0.0 5,-0.0 0.422 89.1 111.0 -83.1 3.8 29.9 5.4 30.5 16 16 A S S <> S- 0 0 13 -3,-2.0 4,-2.1 1,-0.1 5,-0.1 -0.192 85.1-108.3 -74.0 169.0 28.0 8.0 28.3 17 17 A F H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.909 124.0 52.6 -62.2 -41.3 26.4 11.2 29.4 18 18 A N H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.916 107.0 52.4 -60.1 -41.2 23.0 9.5 28.9 19 19 A G H > S+ 0 0 0 -6,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.895 108.7 50.1 -60.7 -39.4 24.2 6.7 31.1 20 20 A S H X S+ 0 0 48 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.892 110.1 49.6 -66.0 -39.8 25.1 9.2 33.8 21 21 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.892 112.4 48.4 -65.1 -40.5 21.7 10.9 33.6 22 22 A K H X S+ 0 0 37 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.940 113.0 47.9 -64.9 -43.8 20.0 7.5 33.9 23 23 A N H X S+ 0 0 65 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.872 109.0 51.4 -68.6 -37.8 22.2 6.5 36.8 24 24 A V H X S+ 0 0 25 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.858 109.7 52.2 -68.1 -30.7 21.6 9.7 38.7 25 25 A A H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.930 111.6 45.5 -67.3 -42.7 17.9 9.3 38.2 26 26 A V H X S+ 0 0 39 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.944 114.6 49.6 -63.5 -45.6 18.0 5.7 39.6 27 27 A D H X S+ 0 0 109 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.937 116.8 39.6 -59.2 -48.3 20.3 7.0 42.5 28 28 A E H X S+ 0 0 14 -4,-2.8 4,-1.9 2,-0.2 6,-0.2 0.926 117.5 45.6 -71.8 -44.7 18.0 9.9 43.5 29 29 A L H <>S+ 0 0 0 -4,-2.6 5,-2.1 -5,-0.3 4,-0.4 0.901 114.7 50.8 -65.8 -35.6 14.6 8.2 43.0 30 30 A S H ><5S+ 0 0 72 -4,-2.4 3,-1.5 -5,-0.3 -2,-0.2 0.917 108.1 52.4 -63.2 -45.3 16.1 5.2 44.9 31 31 A R H 3<5S+ 0 0 162 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.854 104.6 56.6 -60.5 -36.2 17.2 7.5 47.7 32 32 A Q T 3<5S- 0 0 37 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.630 121.3-108.2 -71.2 -13.7 13.7 8.9 48.0 33 33 A G T < 5 + 0 0 47 -3,-1.5 -31,-0.6 -4,-0.4 -3,-0.2 0.508 69.5 146.0 97.7 5.3 12.3 5.5 48.6 34 34 A C < - 0 0 11 -5,-2.1 2,-0.5 -33,-0.2 -1,-0.3 -0.401 54.8-114.4 -73.9 158.9 10.7 5.1 45.2 35 35 A T E -a 4 0A 68 -32,-2.6 -30,-3.0 -2,-0.1 2,-0.4 -0.777 40.7-167.4 -90.2 130.0 10.4 1.8 43.4 36 36 A V E +a 5 0A 41 -2,-0.5 2,-0.4 -32,-0.2 -30,-0.2 -0.981 16.9 177.4-130.4 136.6 12.5 2.0 40.2 37 37 A T E -a 6 0A 61 -32,-2.3 -30,-2.8 -2,-0.4 2,-0.4 -0.984 12.0-157.4-132.9 140.7 12.8 -0.2 37.1 38 38 A V E -a 7 0A 48 -2,-0.4 2,-0.8 -32,-0.2 -30,-0.2 -0.985 8.9-158.3-122.7 129.4 15.0 0.4 34.1 39 39 A S E -a 8 0A 0 -32,-2.7 -30,-2.7 -2,-0.4 2,-1.3 -0.907 12.4-165.6-101.4 101.3 14.4 -1.0 30.6 40 40 A D E > -a 9 0A 47 -2,-0.8 4,-2.0 1,-0.2 5,-0.2 -0.741 6.6-166.5 -90.5 91.6 17.9 -0.7 29.1 41 41 A L T 4>S+ 0 0 0 -32,-2.1 5,-2.5 -2,-1.3 4,-0.4 0.843 79.0 45.8 -55.0 -45.4 16.8 -1.3 25.5 42 42 A Y T >45S+ 0 0 22 -33,-0.4 3,-1.2 -31,-0.2 -1,-0.2 0.905 113.1 50.5 -67.8 -36.5 20.2 -1.9 23.9 43 43 A A T 345S+ 0 0 73 1,-0.3 -1,-0.2 -32,-0.2 -2,-0.2 0.828 111.7 48.8 -68.5 -29.6 21.3 -4.3 26.6 44 44 A M T 3<5S- 0 0 79 -4,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.489 106.5-129.8 -83.4 -4.4 18.1 -6.2 26.2 45 45 A N T < 5 - 0 0 120 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.910 35.6-155.7 51.8 42.3 18.6 -6.3 22.4 46 46 A F < - 0 0 5 -5,-2.5 -1,-0.2 -6,-0.2 68,-0.1 -0.240 11.9-120.5 -54.8 130.7 15.0 -5.0 22.3 47 47 A E - 0 0 50 -3,-0.2 -1,-0.1 1,-0.1 71,-0.1 -0.576 29.8-178.5 -75.9 118.9 13.2 -5.8 19.0 48 48 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 293,-0.2 0.684 48.0 100.7 -91.8 -17.1 12.2 -2.6 17.3 49 49 A R - 0 0 15 292,-0.1 2,-1.0 293,-0.1 -2,-0.0 -0.525 66.7-138.4 -78.4 133.2 10.4 -4.1 14.2 50 50 A A + 0 0 1 -2,-0.3 2,-0.3 3,-0.0 17,-0.1 -0.751 48.6 148.3 -86.3 102.1 6.6 -4.3 14.1 51 51 A T > - 0 0 30 -2,-1.0 3,-2.1 16,-0.1 4,-0.1 -0.846 65.1 -97.0-134.9 174.4 6.1 -7.7 12.6 52 52 A D G > S+ 0 0 76 1,-0.3 3,-1.3 -2,-0.3 -2,-0.0 0.641 112.1 75.8 -67.2 -12.0 3.8 -10.7 12.5 53 53 A K G 3 S+ 0 0 148 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.614 79.9 74.1 -71.7 -9.3 6.1 -12.4 15.0 54 54 A D G < S+ 0 0 4 -3,-2.1 27,-2.1 26,-0.1 2,-0.4 0.568 92.6 59.0 -79.9 -6.8 4.5 -10.1 17.6 55 55 A I B < -F 80 0B 12 -3,-1.3 25,-0.2 25,-0.2 4,-0.1 -0.987 58.3-179.8-122.2 127.9 1.3 -12.2 17.6 56 56 A T + 0 0 106 23,-3.2 24,-0.1 -2,-0.4 -1,-0.1 0.621 58.4 72.6-103.6 -13.9 1.5 -15.8 18.4 57 57 A G S S- 0 0 31 22,-0.6 2,-0.2 1,-0.2 -2,-0.1 -0.161 100.4 -57.1 -92.4-172.3 -2.1 -16.8 18.0 58 58 A T - 0 0 142 1,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.456 61.7-122.1 -63.2 129.3 -4.5 -17.4 15.1 59 59 A L - 0 0 50 -2,-0.2 -1,-0.1 1,-0.1 11,-0.0 -0.438 5.4-134.5 -73.4 150.1 -4.5 -14.2 13.1 60 60 A S S S+ 0 0 68 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.810 102.6 19.7 -74.0 -29.0 -7.9 -12.5 12.5 61 61 A N > + 0 0 71 5,-0.1 3,-0.6 1,-0.1 -1,-0.3 -0.697 68.0 175.4-142.3 85.8 -7.1 -12.0 8.9 62 62 A P T 3 S+ 0 0 92 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.530 76.9 61.1 -67.3 -9.7 -4.4 -14.3 7.7 63 63 A E T 3 S+ 0 0 129 1,-0.3 2,-0.4 183,-0.0 183,-0.1 0.794 115.1 25.2 -87.8 -32.7 -4.7 -13.2 4.1 64 64 A V S < S- 0 0 49 -3,-0.6 2,-0.4 181,-0.1 -1,-0.3 -0.914 81.7-141.5-138.8 105.9 -3.8 -9.5 4.6 65 65 A F + 0 0 18 -2,-0.4 2,-0.5 -3,-0.2 179,-0.1 -0.560 19.6 179.5 -75.3 123.5 -1.7 -8.7 7.6 66 66 A N > - 0 0 52 -2,-0.4 4,-2.8 -5,-0.2 5,-0.3 -0.967 15.4-157.5-124.4 107.2 -2.6 -5.4 9.4 67 67 A Y H > S+ 0 0 15 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.889 90.2 49.4 -53.8 -46.0 -0.3 -4.8 12.4 68 68 A G H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 114.6 43.5 -60.7 -48.1 -2.7 -2.6 14.2 69 69 A V H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.929 116.1 47.6 -64.2 -45.9 -5.7 -4.9 13.9 70 70 A E H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.888 113.4 46.1 -67.6 -36.6 -3.7 -8.0 14.7 71 71 A T H X S+ 0 0 5 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.854 110.0 54.5 -75.6 -29.9 -2.0 -6.6 17.8 72 72 A H H X S+ 0 0 31 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.951 113.9 41.4 -65.1 -46.7 -5.2 -5.1 19.1 73 73 A E H X S+ 0 0 67 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.948 113.5 53.0 -65.0 -44.5 -6.8 -8.5 18.9 74 74 A A H X>S+ 0 0 2 -4,-2.7 5,-2.5 1,-0.2 4,-1.5 0.869 106.8 53.5 -59.1 -38.1 -3.7 -10.2 20.3 75 75 A Y H <5S+ 0 0 58 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.958 111.2 45.3 -60.9 -47.7 -3.7 -7.9 23.3 76 76 A K H <5S+ 0 0 120 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.837 119.2 41.6 -65.0 -32.3 -7.3 -8.7 24.1 77 77 A Q H <5S- 0 0 125 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.578 109.5-120.7 -90.2 -11.3 -6.7 -12.5 23.6 78 78 A R T <5S+ 0 0 232 -4,-1.5 -3,-0.2 -3,-0.4 -4,-0.1 0.917 76.2 122.9 67.9 48.7 -3.3 -12.5 25.4 79 79 A S < + 0 0 21 -5,-2.5 -23,-3.2 -8,-0.1 -22,-0.6 0.030 32.4 122.6-124.9 23.0 -1.4 -13.7 22.4 80 80 A L B S-F 55 0B 13 -6,-0.5 -25,-0.2 -25,-0.2 -26,-0.1 -0.535 76.5 -85.9 -80.3 156.3 1.2 -10.9 22.1 81 81 A A >> - 0 0 15 -27,-2.1 4,-1.8 -2,-0.2 3,-1.0 -0.316 39.4-119.7 -58.2 144.1 4.9 -11.8 22.2 82 82 A S H 3> S+ 0 0 87 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.770 108.6 64.4 -63.0 -26.5 6.2 -11.8 25.8 83 83 A D H 3> S+ 0 0 48 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.882 106.7 45.3 -66.3 -32.5 8.7 -9.1 25.3 84 84 A I H <> S+ 0 0 0 -3,-1.0 4,-2.5 2,-0.2 3,-0.3 0.956 112.9 49.3 -71.1 -48.5 5.8 -6.7 24.6 85 85 A T H X S+ 0 0 67 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.847 106.9 56.5 -57.8 -37.0 3.8 -8.0 27.6 86 86 A D H X S+ 0 0 92 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.909 110.0 45.0 -63.6 -41.7 6.8 -7.6 29.9 87 87 A E H X S+ 0 0 1 -4,-1.4 4,-2.3 -3,-0.3 -2,-0.2 0.919 109.3 55.7 -70.1 -39.3 7.1 -3.9 29.0 88 88 A Q H X S+ 0 0 4 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.879 104.2 54.1 -60.4 -35.7 3.4 -3.4 29.3 89 89 A K H X S+ 0 0 123 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.934 108.6 49.2 -64.6 -42.6 3.5 -4.8 32.9 90 90 A K H X S+ 0 0 55 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.901 114.3 44.9 -63.1 -40.4 6.2 -2.2 33.8 91 91 A V H < S+ 0 0 0 -4,-2.3 3,-0.3 2,-0.2 -2,-0.2 0.921 109.7 54.9 -69.2 -42.5 4.2 0.6 32.3 92 92 A R H < S+ 0 0 122 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.868 113.1 43.1 -59.4 -35.7 1.0 -0.5 33.9 93 93 A E H < S+ 0 0 109 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.743 95.9 97.8 -83.9 -21.5 2.6 -0.5 37.3 94 94 A A < - 0 0 2 -4,-1.3 -89,-0.2 -3,-0.3 3,-0.1 -0.380 49.1-168.3 -73.4 143.3 4.5 2.8 36.9 95 95 A D S S+ 0 0 53 -91,-3.5 46,-2.5 1,-0.3 2,-0.4 0.702 85.7 25.9 -92.0 -27.4 3.3 6.1 38.2 96 96 A L E -bc 5 141A 0 -92,-1.6 -90,-2.4 44,-0.2 2,-0.5 -0.998 66.1-161.3-139.6 132.4 6.0 8.0 36.2 97 97 A V E -bc 6 142A 0 44,-2.2 46,-2.2 -2,-0.4 2,-0.5 -0.977 9.9-167.4-117.5 118.2 7.7 6.9 33.0 98 98 A I E -bc 7 143A 1 -92,-2.8 -90,-2.8 -2,-0.5 2,-0.6 -0.919 6.9-155.3-105.1 130.6 11.0 8.7 32.2 99 99 A F E -bc 8 144A 1 44,-2.8 46,-3.3 -2,-0.5 2,-0.6 -0.930 9.6-168.4-105.9 122.9 12.5 8.3 28.7 100 100 A Q E +bc 9 145A 2 -92,-2.6 -90,-2.6 -2,-0.6 46,-0.2 -0.942 28.1 129.8-116.1 116.9 16.3 8.8 28.6 101 101 A F E - c 0 146A 0 44,-2.2 46,-1.5 -2,-0.6 2,-0.3 -0.997 56.1-108.3-164.4 155.1 17.8 9.2 25.2 102 102 A P E - c 0 147A 13 0, 0.0 2,-0.3 0, 0.0 46,-0.2 -0.682 50.3-104.6 -83.8 142.8 20.1 11.1 22.8 103 103 A L - 0 0 25 44,-2.9 2,-0.5 -2,-0.3 5,-0.2 -0.525 37.7-170.9 -69.0 127.0 18.1 12.9 20.1 104 104 A Y B > S-G 107 0C 34 3,-2.6 3,-1.1 -2,-0.3 244,-0.1 -0.976 73.0 -18.5-121.4 116.4 18.5 11.1 16.7 105 105 A W T 3 S- 0 0 37 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.931 125.1 -55.8 51.4 49.6 17.1 13.0 13.8 106 106 A F T 3 S+ 0 0 10 1,-0.2 -1,-0.3 299,-0.1 2,-0.2 0.679 129.9 60.9 61.5 20.0 15.0 15.3 16.0 107 107 A S B < S-G 104 0C 9 -3,-1.1 -3,-2.6 294,-0.1 -1,-0.2 -0.692 97.4 -53.7-151.2-164.8 13.3 12.2 17.5 108 108 A V - 0 0 0 -2,-0.2 -5,-0.1 -5,-0.2 5,-0.1 -0.585 60.9 -94.8 -86.3 151.9 14.0 9.0 19.5 109 109 A P >> - 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-1.1 -0.360 44.3-107.7 -57.4 148.9 16.6 6.4 18.4 110 110 A A H 3> S+ 0 0 0 1,-0.3 4,-2.4 169,-0.2 5,-0.2 0.786 117.7 60.6 -52.9 -34.3 14.9 3.7 16.4 111 111 A I H 3> S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.912 110.9 41.5 -63.7 -36.1 15.2 1.1 19.2 112 112 A L H <> S+ 0 0 0 -3,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.851 110.0 56.7 -77.6 -33.0 13.1 3.4 21.4 113 113 A K H X S+ 0 0 4 -4,-2.3 4,-3.0 1,-0.2 228,-0.2 0.911 106.4 52.7 -62.8 -35.7 10.8 4.2 18.5 114 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.849 104.6 53.9 -66.0 -38.0 10.2 0.4 18.3 115 115 A W H X>S+ 0 0 1 -4,-1.1 4,-2.7 2,-0.2 5,-0.6 0.940 111.8 45.8 -59.2 -47.3 9.4 0.3 22.0 116 116 A M H X5S+ 0 0 3 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.973 114.5 47.8 -58.6 -52.3 6.8 3.0 21.3 117 117 A D H <5S+ 0 0 12 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.869 122.9 30.7 -58.2 -40.3 5.4 1.2 18.2 118 118 A R H <5S+ 0 0 3 -4,-2.5 3,-0.3 -5,-0.2 -1,-0.2 0.792 121.3 44.6 -94.6 -33.5 5.1 -2.2 19.8 119 119 A V H <5S+ 0 0 0 -4,-2.7 2,-2.0 -5,-0.3 -3,-0.2 0.888 103.0 63.2 -80.9 -37.9 4.4 -1.6 23.5 120 120 A L S <>> - 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