==== 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 2QX4 . 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) . 19347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 74.6 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 . 42 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.0 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 . 20 4.3 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 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 73 0, 0.0 28,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -22.3 8.6 8.4 47.9 2 2 A G + 0 0 73 32,-0.1 2,-0.3 33,-0.0 32,-0.1 -0.405 360.0 101.1-141.7 49.4 5.7 5.9 47.7 3 3 A K - 0 0 90 30,-0.1 32,-2.5 2,-0.0 2,-0.4 -0.921 66.6-125.9-136.4 159.0 5.6 5.8 43.9 4 4 A K E -a 35 0A 87 -2,-0.3 91,-2.8 89,-0.2 92,-1.5 -0.915 23.9-166.7-109.9 135.3 6.8 3.5 41.1 5 5 A V E -ab 36 96A 2 30,-3.0 32,-2.3 -2,-0.4 2,-0.5 -0.980 8.2-163.7-125.5 133.3 9.1 4.8 38.3 6 6 A L E -ab 37 97A 2 90,-2.4 92,-2.8 -2,-0.4 2,-0.6 -0.972 6.8-162.4-112.4 127.9 10.0 3.1 35.0 7 7 A I E -ab 38 98A 1 30,-2.8 32,-2.8 -2,-0.5 2,-0.7 -0.964 3.5-159.3-110.4 121.2 13.0 4.5 33.2 8 8 A V E -ab 39 99A 0 90,-3.0 92,-2.6 -2,-0.6 2,-0.4 -0.911 20.5-167.0-102.6 114.5 13.1 3.5 29.5 9 9 A Y E -ab 40 100A 3 30,-2.5 32,-2.1 -2,-0.7 33,-0.4 -0.882 18.5-176.3-113.9 130.8 16.7 4.0 28.6 10 10 A A + 0 0 0 90,-2.5 2,-0.3 -2,-0.4 102,-0.1 -0.650 37.8 109.5-131.1 77.2 18.3 4.1 25.1 11 11 A H - 0 0 26 -2,-0.3 31,-0.2 90,-0.1 32,-0.2 -0.989 52.6-144.9-147.2 141.0 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 0.689 81.7 66.7 -77.1 -21.0 24.7 1.9 23.9 13 13 A E > - 0 0 20 1,-0.1 3,-2.2 283,-0.1 6,-0.5 -0.900 58.1-161.0-117.6 115.4 27.3 3.0 26.4 14 14 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 281,-0.1 0.814 97.3 53.8 -54.3 -35.1 27.1 2.8 30.2 15 15 A K T 3 S+ 0 0 139 4,-0.1 5,-0.0 3,-0.0 280,-0.0 0.461 88.8 110.7 -83.0 1.7 29.9 5.4 30.5 16 16 A S S <> S- 0 0 14 -3,-2.2 4,-2.0 1,-0.1 5,-0.1 -0.152 84.8-107.9 -72.8 170.1 28.0 7.9 28.4 17 17 A F H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.883 124.8 52.2 -63.7 -38.8 26.4 11.2 29.5 18 18 A N H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 106.1 54.3 -62.4 -40.0 23.0 9.5 29.0 19 19 A G H > S+ 0 0 0 -6,-0.5 4,-2.7 1,-0.2 -2,-0.2 0.900 108.5 49.5 -58.5 -42.8 24.3 6.7 31.2 20 20 A S H X S+ 0 0 51 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.900 110.1 49.3 -63.8 -41.8 25.1 9.2 33.9 21 21 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.874 112.8 48.3 -65.4 -39.2 21.7 10.9 33.7 22 22 A K H X S+ 0 0 36 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.937 112.9 48.6 -66.9 -43.6 20.0 7.5 33.9 23 23 A N H X S+ 0 0 65 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.897 109.4 49.8 -66.6 -39.6 22.2 6.5 36.9 24 24 A V H X S+ 0 0 20 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.865 109.4 53.7 -67.4 -31.3 21.6 9.7 38.8 25 25 A A H X S+ 0 0 1 -4,-1.5 4,-2.6 -5,-0.2 5,-0.3 0.933 111.1 45.2 -66.1 -44.3 17.9 9.3 38.3 26 26 A V H X S+ 0 0 38 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.946 114.8 49.5 -62.8 -45.3 18.1 5.7 39.7 27 27 A D H X S+ 0 0 107 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.943 116.9 39.5 -58.8 -50.3 20.3 7.0 42.6 28 28 A E H X S+ 0 0 12 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.908 116.5 47.2 -71.7 -42.3 18.0 9.9 43.6 29 29 A L H <>S+ 0 0 0 -4,-2.6 5,-2.1 -5,-0.3 4,-0.4 0.890 114.8 48.7 -66.9 -35.6 14.6 8.2 43.1 30 30 A S H ><5S+ 0 0 60 -4,-2.3 3,-1.5 -5,-0.3 -2,-0.2 0.904 107.3 54.7 -68.5 -41.4 15.9 5.2 45.1 31 31 A R H 3<5S+ 0 0 161 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.870 104.5 56.5 -58.0 -36.5 17.2 7.5 47.9 32 32 A Q T 3<5S- 0 0 33 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.656 122.3-108.2 -70.2 -14.4 13.7 8.9 48.1 33 33 A G T < 5 + 0 0 50 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.509 69.7 145.4 98.6 4.5 12.3 5.5 48.7 34 34 A C < - 0 0 11 -5,-2.1 2,-0.5 -6,-0.2 -1,-0.3 -0.411 55.1-113.9 -74.7 159.2 10.7 5.1 45.3 35 35 A T E -a 4 0A 72 -32,-2.5 -30,-3.0 -2,-0.1 2,-0.4 -0.767 40.5-166.6 -89.6 127.7 10.4 1.8 43.5 36 36 A V E +a 5 0A 34 -2,-0.5 2,-0.4 -32,-0.2 -30,-0.2 -0.974 17.1 176.9-129.4 134.3 12.5 2.0 40.3 37 37 A T E -a 6 0A 62 -32,-2.3 -30,-2.8 -2,-0.4 2,-0.4 -0.987 11.8-158.5-130.3 141.5 12.8 -0.2 37.2 38 38 A V E -a 7 0A 49 -2,-0.4 2,-0.8 -32,-0.2 -30,-0.2 -0.983 9.1-158.3-125.2 128.2 15.0 0.4 34.2 39 39 A S E -a 8 0A 0 -32,-2.8 -30,-2.5 -2,-0.4 2,-1.3 -0.907 12.1-165.5-101.4 100.6 14.4 -1.0 30.7 40 40 A D E > -a 9 0A 48 -2,-0.8 4,-2.1 1,-0.2 5,-0.2 -0.716 6.9-166.6 -87.8 91.6 17.9 -0.7 29.2 41 41 A L T 4>S+ 0 0 0 -32,-2.1 5,-2.5 -2,-1.3 4,-0.4 0.854 78.8 45.9 -55.4 -45.9 16.8 -1.3 25.6 42 42 A Y T >45S+ 0 0 30 -33,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.899 113.4 50.4 -65.6 -38.6 20.2 -1.9 23.9 43 43 A A T 345S+ 0 0 79 1,-0.3 -1,-0.2 -32,-0.2 -2,-0.2 0.834 111.7 48.9 -66.1 -31.7 21.3 -4.3 26.7 44 44 A M T 3<5S- 0 0 78 -4,-2.1 -1,-0.3 2,-0.0 -2,-0.2 0.521 106.1-131.5 -80.1 -7.5 18.0 -6.1 26.3 45 45 A N T < 5 - 0 0 105 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.889 35.4-155.1 51.9 41.4 18.6 -6.2 22.4 46 46 A F < - 0 0 5 -5,-2.5 -1,-0.2 -6,-0.2 68,-0.1 -0.195 11.9-118.8 -52.7 129.7 15.0 -5.0 22.4 47 47 A E - 0 0 50 -3,-0.2 -1,-0.1 1,-0.2 71,-0.1 -0.551 30.5-178.3 -72.4 117.2 13.2 -5.8 19.1 48 48 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 293,-0.2 0.713 48.3 99.7 -89.4 -21.4 12.2 -2.6 17.3 49 49 A R - 0 0 13 292,-0.1 2,-1.0 293,-0.1 -2,-0.0 -0.495 66.9-138.8 -75.4 135.2 10.4 -4.1 14.3 50 50 A A + 0 0 1 -2,-0.3 2,-0.3 2,-0.0 17,-0.1 -0.775 48.2 148.9 -87.6 102.7 6.6 -4.3 14.2 51 51 A T > - 0 0 29 -2,-1.0 3,-1.9 16,-0.1 4,-0.1 -0.821 64.9 -97.2-134.2 175.6 6.1 -7.8 12.6 52 52 A D G > S+ 0 0 75 1,-0.3 3,-1.2 -2,-0.3 -2,-0.0 0.609 112.1 76.4 -70.3 -7.8 3.8 -10.7 12.6 53 53 A K G 3 S+ 0 0 146 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.594 78.9 75.3 -75.0 -7.5 6.1 -12.4 15.1 54 54 A D G < S+ 0 0 4 -3,-1.9 27,-2.1 26,-0.1 2,-0.4 0.570 91.4 59.5 -80.6 -6.4 4.5 -10.1 17.7 55 55 A I B < -F 80 0B 12 -3,-1.2 25,-0.2 25,-0.2 4,-0.1 -0.985 58.3-178.5-122.3 131.2 1.4 -12.2 17.7 56 56 A T + 0 0 106 23,-3.1 24,-0.1 -2,-0.4 -1,-0.1 0.634 59.2 70.2-104.5 -16.9 1.5 -15.9 18.6 57 57 A G S S- 0 0 34 22,-0.6 2,-0.2 1,-0.2 -2,-0.1 -0.103 100.9 -55.3 -90.7-170.2 -2.1 -16.9 18.1 58 58 A T - 0 0 141 1,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.479 62.0-120.8 -64.8 127.7 -4.4 -17.4 15.2 59 59 A L - 0 0 48 -2,-0.2 -1,-0.1 1,-0.1 11,-0.0 -0.420 6.0-134.4 -72.2 148.5 -4.5 -14.2 13.1 60 60 A S S S+ 0 0 72 1,-0.3 -1,-0.1 -2,-0.1 5,-0.0 0.866 103.3 17.0 -67.9 -37.3 -7.8 -12.4 12.6 61 61 A N > + 0 0 77 5,-0.1 3,-0.9 1,-0.1 -1,-0.3 -0.706 69.6 176.6-138.4 83.7 -7.1 -12.0 8.9 62 62 A P T 3 S+ 0 0 98 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.508 76.8 60.3 -66.5 -5.5 -4.3 -14.3 7.9 63 63 A E T 3 S+ 0 0 141 1,-0.3 2,-0.4 -4,-0.0 183,-0.1 0.747 114.3 26.6 -95.8 -24.6 -4.5 -13.3 4.2 64 64 A V S < S- 0 0 50 -3,-0.9 2,-0.4 181,-0.1 -1,-0.3 -0.875 83.0-142.8-140.0 101.4 -3.8 -9.6 4.6 65 65 A F + 0 0 17 -2,-0.4 2,-0.5 -3,-0.2 179,-0.1 -0.523 19.5 179.5 -72.1 124.1 -1.7 -8.7 7.6 66 66 A N > - 0 0 49 -2,-0.4 4,-2.8 -5,-0.1 5,-0.3 -0.975 15.1-157.7-124.5 109.3 -2.6 -5.4 9.4 67 67 A Y H > S+ 0 0 16 -2,-0.5 4,-2.5 1,-0.2 5,-0.3 0.883 90.0 49.5 -57.2 -44.0 -0.3 -4.9 12.4 68 68 A G H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.940 115.0 43.8 -62.8 -46.8 -2.6 -2.5 14.3 69 69 A V H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.943 116.1 46.8 -64.6 -47.2 -5.6 -4.8 13.9 70 70 A E H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.883 113.9 46.1 -67.7 -37.0 -3.7 -8.0 14.8 71 71 A T H X S+ 0 0 6 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.863 110.0 54.5 -74.2 -31.7 -1.9 -6.6 17.8 72 72 A H H X S+ 0 0 31 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.954 114.4 41.2 -63.0 -47.0 -5.2 -5.0 19.2 73 73 A E H X S+ 0 0 55 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.935 113.3 53.0 -64.5 -45.4 -6.8 -8.5 19.0 74 74 A A H X>S+ 0 0 2 -4,-2.5 5,-2.9 1,-0.2 4,-1.3 0.840 106.9 53.6 -60.8 -34.5 -3.8 -10.2 20.3 75 75 A Y H <5S+ 0 0 57 -4,-2.2 3,-0.4 3,-0.2 -1,-0.2 0.954 110.8 45.2 -64.8 -46.8 -3.7 -7.9 23.3 76 76 A K H <5S+ 0 0 122 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.871 118.9 43.1 -64.3 -34.5 -7.4 -8.7 24.1 77 77 A Q H <5S- 0 0 124 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.581 109.4-121.7 -86.5 -11.7 -6.7 -12.4 23.6 78 78 A R T <5S+ 0 0 234 -4,-1.3 -3,-0.2 -3,-0.4 -4,-0.1 0.908 76.1 123.0 67.8 46.0 -3.3 -12.4 25.5 79 79 A S < + 0 0 20 -5,-2.9 -23,-3.1 -8,-0.1 -22,-0.6 0.072 31.6 123.4-123.3 24.1 -1.4 -13.7 22.5 80 80 A L B S-F 55 0B 14 -6,-0.6 -25,-0.2 -25,-0.2 -26,-0.1 -0.515 76.1 -87.1 -81.3 153.5 1.2 -10.9 22.2 81 81 A A >> - 0 0 16 -27,-2.1 4,-1.8 -2,-0.2 3,-0.9 -0.289 39.2-119.4 -57.3 144.6 4.9 -11.8 22.3 82 82 A S H 3> S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.766 108.6 64.6 -62.8 -27.4 6.1 -11.8 25.8 83 83 A D H 3> S+ 0 0 47 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.895 106.5 46.4 -64.7 -31.3 8.7 -9.1 25.4 84 84 A I H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 3,-0.3 0.949 113.1 46.6 -73.7 -48.0 5.8 -6.7 24.7 85 85 A T H X S+ 0 0 52 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.866 106.3 59.9 -65.7 -31.1 3.8 -7.8 27.6 86 86 A D H X S+ 0 0 94 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.915 109.7 43.5 -58.8 -42.9 6.8 -7.6 29.9 87 87 A E H X S+ 0 0 2 -4,-1.3 4,-2.4 -3,-0.3 -2,-0.2 0.907 109.2 56.3 -70.5 -38.3 7.1 -3.9 29.1 88 88 A Q H X S+ 0 0 3 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.877 104.6 53.9 -60.5 -35.5 3.3 -3.4 29.4 89 89 A K H X S+ 0 0 121 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.922 108.5 49.2 -65.5 -41.3 3.5 -4.7 33.0 90 90 A K H X S+ 0 0 55 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.915 114.8 44.1 -63.1 -43.0 6.2 -2.2 33.8 91 91 A V H < S+ 0 0 0 -4,-2.4 3,-0.3 2,-0.2 -2,-0.2 0.920 109.9 55.7 -67.5 -43.6 4.2 0.6 32.4 92 92 A R H < S+ 0 0 122 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.889 112.9 42.0 -56.7 -41.1 1.0 -0.5 34.0 93 93 A E H < S+ 0 0 102 -4,-2.1 -1,-0.2 -5,-0.2 -89,-0.2 0.735 96.5 98.7 -81.4 -19.9 2.6 -0.5 37.4 94 94 A A < - 0 0 2 -4,-1.2 -89,-0.2 -3,-0.3 3,-0.1 -0.392 49.4-168.1 -74.9 144.0 4.5 2.8 37.0 95 95 A D S S+ 0 0 54 -91,-2.8 46,-2.4 1,-0.3 2,-0.4 0.677 85.3 25.6 -93.7 -27.4 3.3 6.2 38.3 96 96 A L E -bc 5 141A 1 -92,-1.5 -90,-2.4 44,-0.2 2,-0.5 -0.997 66.3-161.0-139.4 134.7 6.0 8.0 36.3 97 97 A V E -bc 6 142A 0 44,-2.2 46,-2.2 -2,-0.4 2,-0.5 -0.975 9.2-167.3-119.7 119.3 7.7 6.9 33.1 98 98 A I E -bc 7 143A 1 -92,-2.8 -90,-3.0 -2,-0.5 2,-0.6 -0.907 6.9-155.2-104.2 132.1 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 -0.933 9.9-168.6-107.3 122.7 12.5 8.3 28.8 100 100 A Q E +bc 9 145A 2 -92,-2.6 -90,-2.5 -2,-0.6 46,-0.2 -0.942 28.2 128.6-114.4 116.8 16.3 8.8 28.7 101 101 A F E - c 0 146A 1 44,-2.0 46,-1.3 -2,-0.6 2,-0.3 -0.998 56.4-107.3-165.1 156.8 17.8 9.1 25.3 102 102 A P E - c 0 147A 12 0, 0.0 2,-0.3 0, 0.0 46,-0.2 -0.686 50.3-104.4 -84.6 141.6 20.1 11.1 22.9 103 103 A L - 0 0 25 44,-2.9 2,-0.5 -2,-0.3 5,-0.2 -0.539 37.4-170.4 -68.3 126.5 18.1 12.9 20.2 104 104 A Y B > S-G 107 0C 35 3,-2.5 3,-1.4 -2,-0.3 244,-0.1 -0.981 75.0 -17.8-119.9 116.3 18.5 11.1 16.8 105 105 A W T 3 S- 0 0 34 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.925 125.0 -58.7 50.8 46.8 17.1 13.0 13.8 106 106 A F T 3 S+ 0 0 14 1,-0.2 -1,-0.3 299,-0.1 2,-0.2 0.671 129.2 66.2 56.7 25.9 15.1 15.2 16.2 107 107 A S B < S-G 104 0C 9 -3,-1.4 -3,-2.5 294,-0.1 -1,-0.2 -0.692 97.1 -56.7-147.9-164.1 13.3 12.2 17.6 108 108 A V - 0 0 0 -2,-0.2 -5,-0.1 -5,-0.2 5,-0.1 -0.576 60.5 -94.3 -87.6 152.4 14.0 9.0 19.5 109 109 A P >> - 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-1.2 -0.347 44.0-107.8 -58.9 150.9 16.6 6.4 18.5 110 110 A A H 3> S+ 0 0 1 1,-0.3 4,-2.3 169,-0.2 235,-0.2 0.775 117.5 60.4 -54.6 -31.9 14.9 3.7 16.5 111 111 A I H 3> S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.885 111.3 41.2 -66.5 -34.6 15.2 1.1 19.2 112 112 A L H <> S+ 0 0 0 -3,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.845 110.2 56.5 -78.5 -33.7 13.1 3.4 21.5 113 113 A K H X S+ 0 0 4 -4,-2.3 4,-3.1 1,-0.2 228,-0.2 0.917 106.8 53.3 -61.8 -34.5 10.8 4.2 18.6 114 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.874 103.9 53.6 -66.8 -36.5 10.3 0.5 18.4 115 115 A W H X>S+ 0 0 1 -4,-1.1 4,-2.7 2,-0.2 5,-0.6 0.938 111.8 46.1 -61.9 -45.4 9.4 0.3 22.0 116 116 A M H X5S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.978 113.8 48.1 -61.1 -52.1 6.7 3.0 21.4 117 117 A D H <5S+ 0 0 12 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.871 122.7 31.6 -56.5 -43.4 5.4 1.2 18.3 118 118 A R H <5S+ 0 0 3 -4,-2.5 3,-0.3 -5,-0.2 -1,-0.2 0.812 121.3 43.3 -89.6 -34.9 5.2 -2.2 19.9 119 119 A V H <5S+ 0 0 0 -4,-2.7 2,-1.9 -5,-0.3 -3,-0.2 0.874 102.9 64.3 -82.2 -35.9 4.4 -1.6 23.5 120 120 A L S <>> - 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