==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JUL-07 2QRL . COMPND 2 MOLECULE: SACCHAROPINE DEHYDROGENASE, NAD+, L-LYSINE- . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR B.ANDI,H.XU,P.F.COOK,A.H.WEST . 371 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.2 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 29 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 3 0 1 0 0 1 0 1 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 5 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 PARALLEL BRIDGES PER LADDER . 2 0 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 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 3 A A 0 0 127 0, 0.0 2,-0.3 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 143.8 68.0 65.6 4.5 2 4 A V - 0 0 11 67,-0.0 31,-2.2 68,-0.0 2,-0.5 -0.695 360.0-151.2-107.9 143.8 65.3 63.1 4.9 3 5 A T E -a 33 0A 25 65,-0.4 67,-2.7 -2,-0.3 2,-0.3 -0.984 15.0-165.7-111.0 123.8 62.9 61.5 2.4 4 6 A L E -ab 34 70A 0 29,-2.5 31,-2.7 -2,-0.5 2,-0.5 -0.830 3.8-160.7-105.1 145.7 59.5 60.4 3.8 5 7 A H E -ab 35 71A 0 65,-2.2 67,-2.5 -2,-0.3 2,-0.9 -0.962 13.5-141.5-131.2 110.8 57.2 58.0 1.8 6 8 A L E -ab 36 72A 8 29,-3.2 31,-2.4 -2,-0.5 67,-0.2 -0.670 18.7-143.4 -82.6 107.0 53.5 58.0 2.9 7 9 A R - 0 0 4 65,-2.6 67,-0.3 -2,-0.9 2,-0.2 -0.446 17.4-116.4 -66.6 128.5 52.3 54.4 2.6 8 10 A A - 0 0 10 -2,-0.2 -1,-0.1 50,-0.1 2,-0.1 -0.518 38.7-110.0 -62.5 133.4 48.7 53.9 1.4 9 11 A E - 0 0 10 -2,-0.2 32,-0.2 7,-0.2 33,-0.1 -0.416 33.3-178.4 -67.7 142.6 46.7 52.3 4.3 10 12 A T + 0 0 75 66,-0.5 -1,-0.1 2,-0.1 67,-0.1 0.445 47.2 112.7-117.8 -12.1 45.6 48.7 3.8 11 13 A K S > S- 0 0 70 65,-0.3 3,-2.4 1,-0.1 64,-0.1 -0.471 88.1 -94.0 -56.1 124.6 43.6 48.3 7.1 12 14 A P T 3 S- 0 0 114 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.199 103.2 -3.2 -50.8 130.3 40.0 47.9 5.9 13 15 A L T 3 S+ 0 0 159 1,-0.2 2,-0.9 -4,-0.1 -2,-0.1 0.522 86.0 150.2 63.9 10.4 38.2 51.2 5.9 14 16 A E < + 0 0 7 -3,-2.4 -1,-0.2 1,-0.2 -5,-0.1 -0.675 10.8 165.4 -74.5 108.5 41.2 53.1 7.4 15 17 A A + 0 0 17 -2,-0.9 28,-2.6 27,-0.1 29,-0.3 0.335 41.2 95.0-106.6 -4.9 40.7 56.6 5.9 16 18 A R - 0 0 19 26,-0.2 2,-0.3 27,-0.1 58,-0.2 -0.425 59.1-149.9 -84.2 167.1 43.1 58.6 8.1 17 19 A A - 0 0 6 307,-0.4 315,-0.2 -2,-0.1 56,-0.1 -0.996 20.0-136.8-141.3 148.4 46.6 59.5 7.1 18 20 A A S S+ 0 0 0 -2,-0.3 2,-0.4 -11,-0.2 317,-0.1 0.781 99.1 36.1 -71.7 -30.4 49.8 60.1 9.1 19 21 A L S S- 0 0 0 53,-0.1 -1,-0.1 -3,-0.1 310,-0.1 -0.981 76.4-157.6-123.6 135.2 50.8 63.1 6.9 20 22 A T > - 0 0 0 -2,-0.4 4,-2.8 308,-0.1 5,-0.2 -0.649 37.2-101.6-103.4 164.2 48.2 65.5 5.5 21 23 A P H > S+ 0 0 12 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.904 125.0 52.4 -53.5 -36.7 48.6 67.7 2.5 22 24 A T H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.925 110.9 44.1 -64.8 -46.0 49.2 70.6 4.9 23 25 A T H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.872 111.9 54.3 -70.1 -31.8 51.9 68.8 6.9 24 26 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.941 108.2 49.5 -61.7 -47.8 53.5 67.6 3.6 25 27 A K H X S+ 0 0 111 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.912 112.4 48.1 -57.8 -44.6 53.7 71.2 2.4 26 28 A K H X S+ 0 0 79 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.900 111.4 48.9 -65.9 -40.3 55.3 72.3 5.7 27 29 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 3,-0.6 0.913 109.8 51.2 -67.1 -41.2 57.9 69.4 5.7 28 30 A I H ><5S+ 0 0 54 -4,-2.8 3,-2.0 1,-0.2 -1,-0.2 0.910 105.8 56.6 -60.1 -39.6 58.8 70.2 2.1 29 31 A A H 3<5S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.765 105.9 51.8 -60.1 -26.6 59.3 73.9 3.2 30 32 A K T <<5S- 0 0 131 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.296 130.9 -95.6 -92.9 5.1 61.8 72.5 5.8 31 33 A G T < 5S+ 0 0 50 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.513 77.0 140.3 95.1 5.8 63.7 70.7 3.1 32 34 A F < - 0 0 16 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.3 -0.457 46.8-136.8 -71.2 150.8 62.2 67.2 3.3 33 35 A K E -a 3 0A 100 -31,-2.2 -29,-2.5 -2,-0.1 2,-0.5 -0.957 26.0-164.0-105.7 132.1 61.5 65.2 0.2 34 36 A I E -a 4 0A 2 -2,-0.5 21,-2.5 19,-0.3 2,-0.4 -0.973 16.0-169.7-129.3 124.6 58.1 63.5 0.3 35 37 A Y E -ac 5 55A 31 -31,-2.7 -29,-3.2 -2,-0.5 2,-0.4 -0.869 11.7-165.2 -99.3 142.8 56.5 60.7 -1.7 36 38 A V E -ac 6 56A 1 19,-2.6 21,-2.2 -2,-0.4 2,-0.3 -0.995 14.1-133.9-131.7 127.2 52.8 60.0 -1.3 37 39 A E E - c 0 57A 5 -31,-2.4 2,-0.2 -2,-0.4 22,-0.1 -0.584 27.4-111.0 -77.0 134.6 51.0 56.9 -2.4 38 40 A D - 0 0 75 19,-2.5 21,-0.2 -2,-0.3 -30,-0.1 -0.488 42.0-174.8 -57.7 124.3 47.7 57.2 -4.3 39 41 A S > - 0 0 16 -2,-0.2 3,-0.8 5,-0.2 5,-0.1 -0.871 23.2-168.2-137.4 104.8 45.1 55.9 -1.9 40 42 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -25,-0.0 0.890 92.9 51.2 -57.8 -40.8 41.4 55.4 -2.8 41 43 A Q T 3 S+ 0 0 69 -32,-0.2 -31,-0.0 -27,-0.1 2,-0.0 0.675 86.3 104.3 -73.2 -20.1 40.3 54.8 0.8 42 44 A S S < S- 0 0 22 -3,-0.8 -26,-0.2 1,-0.1 -27,-0.1 -0.362 73.2-135.6 -59.1 141.8 42.1 58.0 2.2 43 45 A T S S+ 0 0 38 -28,-2.6 2,-0.4 2,-0.1 -1,-0.1 0.672 86.4 83.6 -70.0 -18.5 39.7 60.8 3.0 44 46 A F S S- 0 0 6 -29,-0.3 2,-0.3 -5,-0.1 -5,-0.2 -0.730 84.5-124.2 -88.6 135.3 42.3 63.1 1.2 45 47 A N >> - 0 0 90 -2,-0.4 3,-1.6 1,-0.1 4,-0.9 -0.637 19.7-127.0 -74.7 134.6 42.2 63.5 -2.5 46 48 A I H 3> S+ 0 0 23 -2,-0.3 4,-1.9 1,-0.3 3,-0.5 0.824 107.1 65.2 -52.7 -32.7 45.5 62.7 -4.1 47 49 A N H 3> S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.822 91.8 61.7 -66.1 -28.2 45.5 66.1 -5.9 48 50 A E H <> S+ 0 0 49 -3,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.911 107.0 45.7 -57.0 -43.1 45.7 67.9 -2.5 49 51 A Y H <>S+ 0 0 6 -4,-0.9 5,-2.3 -3,-0.5 4,-0.4 0.902 110.8 53.1 -69.1 -38.2 49.1 66.2 -2.0 50 52 A R H ><5S+ 0 0 127 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.952 109.3 48.0 -60.1 -50.7 50.2 67.0 -5.5 51 53 A Q H 3<5S+ 0 0 167 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.805 106.7 58.8 -58.7 -31.3 49.4 70.7 -5.0 52 54 A A T 3<5S- 0 0 15 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.559 125.3-103.9 -73.0 -11.2 51.4 70.5 -1.7 53 55 A G T < 5 + 0 0 47 -3,-1.9 -19,-0.3 -4,-0.4 -3,-0.2 0.528 68.5 149.8 100.7 5.8 54.4 69.3 -3.7 54 56 A A < - 0 0 9 -5,-2.3 2,-0.7 -21,-0.1 -1,-0.3 -0.403 51.9-118.6 -67.3 147.5 54.5 65.6 -3.0 55 57 A I E -c 35 0A 69 -21,-2.5 -19,-2.6 -2,-0.1 2,-0.4 -0.828 33.6-137.3 -82.9 118.7 55.8 63.1 -5.5 56 58 A I E +c 36 0A 38 -2,-0.7 -19,-0.2 -21,-0.2 -21,-0.0 -0.652 31.5 168.4 -88.4 129.1 52.8 60.9 -6.3 57 59 A V E -c 37 0A 25 -21,-2.2 -19,-2.5 -2,-0.4 3,-0.1 -0.908 37.7 -81.1-136.3 161.2 53.5 57.2 -6.6 58 60 A P > - 0 0 93 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.246 53.9 -92.2 -62.8 150.2 51.4 53.9 -6.8 59 61 A A T 3 S+ 0 0 61 1,-0.3 -52,-0.1 -21,-0.2 -20,-0.1 -0.378 114.4 21.1 -57.1 133.3 49.9 52.3 -3.7 60 62 A G T > S+ 0 0 26 -3,-0.1 3,-1.7 -2,-0.1 -1,-0.3 0.360 82.6 123.6 86.8 -3.3 52.4 49.7 -2.4 61 63 A S G X + 0 0 25 -3,-2.0 3,-1.8 1,-0.3 4,-0.4 0.727 56.7 78.6 -63.2 -18.3 55.4 51.3 -4.1 62 64 A W G > S+ 0 0 11 1,-0.3 3,-1.5 -4,-0.2 -1,-0.3 0.850 79.5 72.8 -56.6 -29.6 57.1 51.6 -0.7 63 65 A K G < S+ 0 0 99 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.712 108.6 29.2 -60.7 -23.6 57.9 47.8 -1.0 64 66 A T G < S+ 0 0 129 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.242 93.1 127.7-118.0 7.8 60.5 48.5 -3.7 65 67 A A S < S- 0 0 11 -3,-1.5 6,-0.1 -4,-0.4 -3,-0.0 -0.356 74.3 -82.7 -66.7 147.2 61.6 52.0 -2.5 66 68 A P > - 0 0 67 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.163 42.7-115.6 -45.9 143.0 65.3 52.8 -1.9 67 69 A R T 3 S+ 0 0 214 1,-0.3 21,-0.4 -3,-0.1 -2,-0.1 0.583 109.6 65.9 -64.6 -16.7 66.3 51.6 1.6 68 70 A D T 3 S+ 0 0 109 19,-0.1 -65,-0.4 2,-0.1 -1,-0.3 0.614 77.8 99.7 -83.1 -13.4 67.1 55.2 2.8 69 71 A R S < S- 0 0 34 -3,-1.8 2,-0.6 -67,-0.1 19,-0.5 -0.541 73.1-132.0 -75.0 139.5 63.4 56.4 2.6 70 72 A I E -b 4 0A 0 -67,-2.7 -65,-2.2 -2,-0.2 2,-0.6 -0.840 20.2-143.1 -91.1 118.8 61.5 56.4 5.9 71 73 A I E -bd 5 89A 0 17,-2.4 19,-2.6 -2,-0.6 2,-0.4 -0.744 19.9-170.4 -88.1 116.8 58.2 54.7 5.3 72 74 A I E +bd 6 90A 0 -67,-2.5 -65,-2.6 -2,-0.6 2,-0.3 -0.913 18.0 144.5-114.3 135.0 55.4 56.4 7.2 73 75 A G - 0 0 0 17,-2.5 -65,-0.1 -2,-0.4 -56,-0.1 -0.929 43.0-129.0-152.5 172.7 51.9 55.1 7.6 74 76 A L S S+ 0 0 0 -2,-0.3 18,-2.7 -67,-0.3 45,-0.1 0.899 78.0 31.5 -95.9 -52.4 49.3 55.1 10.3 75 77 A K S S- 0 0 28 1,-0.2 18,-0.1 16,-0.2 -65,-0.0 -0.346 89.0 -65.1-110.9-176.0 48.1 51.5 10.8 76 78 A E - 0 0 54 -2,-0.1 -66,-0.5 1,-0.1 -65,-0.3 -0.103 42.6-120.7 -63.2 153.9 49.2 47.9 10.6 77 79 A M - 0 0 21 1,-0.1 -1,-0.1 -67,-0.1 -68,-0.0 -0.581 49.3 -73.3 -85.0 164.1 50.3 46.1 7.5 78 80 A P > - 0 0 41 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.343 33.4-140.0 -56.2 130.0 48.5 42.9 6.4 79 81 A E T 3 S+ 0 0 152 1,-0.2 -2,-0.0 -3,-0.1 22,-0.0 0.688 103.2 66.4 -61.8 -17.2 49.3 40.0 8.7 80 82 A T T 3 S+ 0 0 114 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 0.660 79.4 91.8 -81.0 -17.4 49.4 38.0 5.4 81 83 A D < + 0 0 34 -3,-1.4 -4,-0.1 1,-0.1 0, 0.0 -0.680 47.0 165.9 -71.4 130.2 52.5 40.0 4.2 82 84 A T + 0 0 120 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.460 28.9 118.9-125.0 -10.2 55.6 38.0 5.4 83 85 A F S S- 0 0 68 1,-0.1 29,-0.1 28,-0.0 28,-0.0 -0.217 75.1 -88.6 -65.4 150.0 58.5 39.6 3.4 84 86 A P - 0 0 66 0, 0.0 2,-0.7 0, 0.0 25,-0.2 -0.305 33.3-131.3 -61.1 143.0 61.3 41.2 5.4 85 87 A L + 0 0 3 23,-2.4 29,-0.9 1,-0.1 27,-0.3 -0.894 29.1 173.8 -96.3 109.5 60.9 44.9 6.3 86 88 A V + 0 0 78 -2,-0.7 -1,-0.1 27,-0.1 2,-0.1 0.619 50.5 77.7 -92.4 -17.2 64.2 46.6 5.3 87 89 A H S S- 0 0 5 27,-0.1 28,-1.8 1,-0.1 2,-0.6 -0.400 86.9-102.2 -88.0 165.5 63.2 50.3 5.9 88 90 A E E - e 0 115A 45 -19,-0.5 -17,-2.4 -21,-0.4 2,-0.4 -0.820 48.4-160.8 -76.1 124.6 62.8 52.5 8.9 89 91 A H E -de 71 116A 0 26,-3.4 28,-3.1 -2,-0.6 2,-0.5 -0.930 19.3-161.6-113.6 138.4 59.0 52.6 9.5 90 92 A I E +de 72 117A 0 -19,-2.6 -17,-2.5 -2,-0.4 2,-0.3 -0.984 46.1 107.2-111.5 123.1 56.9 55.1 11.4 91 93 A Q E S- e 0 118A 6 26,-1.4 28,-2.2 -2,-0.5 2,-0.7 -0.974 76.3 -85.1-171.3 166.6 53.5 53.6 12.2 92 94 A F + 0 0 13 -18,-2.7 26,-0.1 -2,-0.3 -2,-0.1 -0.886 46.3 170.6 -79.6 117.4 51.1 52.1 14.8 93 95 A A - 0 0 6 -2,-0.7 -1,-0.1 -17,-0.1 -16,-0.1 0.547 28.0-146.8-106.8 -16.2 52.3 48.5 14.8 94 96 A H + 0 0 57 1,-0.1 11,-0.1 -18,-0.0 -2,-0.1 0.911 62.6 114.2 51.7 55.3 50.3 47.2 17.9 95 97 A C + 0 0 0 3,-0.1 3,-0.2 10,-0.1 11,-0.1 0.212 49.0 76.7-141.4 13.2 52.9 44.7 18.9 96 98 A Y S S+ 0 0 13 1,-0.1 -2,-0.0 2,-0.1 -1,-0.0 0.355 87.7 60.5-106.2 0.4 54.3 45.9 22.2 97 99 A K S S- 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.145 119.6 -96.7-121.3 35.8 51.4 44.8 24.4 98 100 A D + 0 0 96 -3,-0.2 3,-0.1 1,-0.2 -3,-0.1 0.710 61.7 176.6 54.1 28.2 51.6 41.0 23.6 99 101 A Q > - 0 0 53 1,-0.2 3,-2.3 2,-0.1 4,-0.2 -0.229 47.8 -79.7 -53.2 145.4 48.9 41.3 20.9 100 102 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 -0.320 121.2 13.1 -51.4 125.0 48.2 38.0 19.1 101 103 A G T 3> S+ 0 0 29 -3,-0.1 4,-1.9 3,-0.0 -1,-0.3 0.560 82.3 136.3 86.3 10.3 51.1 37.6 16.5 102 104 A W H <> S+ 0 0 21 -3,-2.3 4,-2.1 1,-0.2 5,-0.2 0.856 70.6 54.2 -61.5 -36.2 53.3 40.4 18.0 103 105 A Q H > S+ 0 0 72 -4,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.930 107.2 51.1 -63.6 -43.8 56.5 38.3 17.6 104 106 A N H > S+ 0 0 80 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.888 107.6 53.6 -58.6 -41.1 55.7 37.7 13.9 105 107 A V H >X S+ 0 0 48 -4,-1.9 4,-0.9 1,-0.2 3,-0.5 0.950 113.0 42.5 -58.6 -52.0 55.3 41.5 13.4 106 108 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 3,-0.4 0.882 105.8 63.8 -64.9 -37.3 58.7 42.2 14.9 107 109 A M H 3X S+ 0 0 13 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.818 95.0 60.1 -57.9 -31.8 60.3 39.3 13.1 108 110 A R H S+ 0 0 1 -4,-0.9 5,-2.2 -3,-0.4 4,-0.9 0.898 114.0 52.8 -64.9 -45.5 61.8 43.9 10.9 110 112 A I H ><5S+ 0 0 27 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.960 109.5 47.4 -57.0 -52.5 64.4 41.6 12.4 111 113 A K H 3<5S+ 0 0 116 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.867 118.5 41.8 -56.9 -38.8 64.8 39.6 9.2 112 114 A G H 3<5S- 0 0 10 -4,-1.5 -1,-0.3 -27,-0.3 -2,-0.2 0.493 105.4-123.6 -86.9 -5.0 65.1 42.8 7.1 113 115 A H T <<5 + 0 0 174 -3,-1.1 -3,-0.2 -4,-0.9 -27,-0.1 0.797 64.9 146.0 58.2 30.2 67.3 44.8 9.5 114 116 A G < - 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