==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-FEB-11 3QWP . COMPND 2 MOLECULE: SET AND MYND DOMAIN-CONTAINING PROTEIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DONG,L.DOMBROVSKI,Y.LI,A.WERNIMONT,J.WEIGELT,C.BOUNTRA, . 426 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 1 0 0 0 0 1 2 1 0 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 2 2 0 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 P 0 0 173 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.7 -8.6 -2.6 -20.3 2 4 A L - 0 0 67 1,-0.1 27,-0.1 2,-0.1 26,-0.1 -0.346 360.0-159.1 -77.1 145.3 -5.0 -3.6 -21.1 3 5 A K S S+ 0 0 75 25,-0.5 16,-2.7 -2,-0.1 17,-0.9 0.404 79.9 54.3 -96.5 -3.0 -3.1 -2.2 -24.0 4 6 A V E -A 18 0A 3 14,-0.2 2,-0.3 24,-0.2 14,-0.2 -0.869 63.2-169.9-130.8 160.2 -0.7 -5.2 -23.9 5 7 A E E -A 17 0A 79 12,-1.9 12,-2.6 -2,-0.3 2,-0.2 -0.988 26.9-110.8-149.9 146.2 -1.0 -9.0 -23.9 6 8 A K E +A 16 0A 100 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.449 42.7 169.3 -65.3 142.6 1.1 -12.0 -23.4 7 9 A F E -A 15 0A 30 8,-2.2 8,-2.6 -2,-0.2 2,-0.7 -0.977 38.8-105.2-150.1 162.8 1.9 -14.2 -26.4 8 10 A A E -A 14 0A 79 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.839 38.2-148.3 -89.4 118.5 4.1 -17.0 -27.5 9 11 A T - 0 0 21 4,-2.8 4,-0.2 -2,-0.7 6,-0.0 -0.339 19.8-115.5 -79.6 168.0 6.9 -15.8 -29.8 10 12 A A S S- 0 0 108 1,-0.1 -1,-0.1 2,-0.1 4,-0.1 0.874 101.6 -3.5 -68.2 -40.1 8.5 -17.8 -32.6 11 13 A N S S+ 0 0 138 2,-0.1 -1,-0.1 1,-0.0 3,-0.1 0.238 123.6 61.2-144.2 11.8 11.9 -18.0 -31.0 12 14 A R S S- 0 0 61 1,-0.4 -2,-0.1 245,-0.0 2,-0.1 -0.014 93.8-115.8-134.5 36.5 12.3 -16.1 -27.8 13 15 A G S S- 0 0 34 -4,-0.2 -4,-2.8 -5,-0.1 -1,-0.4 -0.330 72.1 -8.1 74.4-145.5 9.8 -17.7 -25.5 14 16 A N E S+A 8 0A 46 413,-2.8 2,-0.3 -6,-0.2 -6,-0.2 -0.463 71.9 168.1 -81.7 157.3 6.9 -15.7 -24.2 15 17 A G E -A 7 0A 0 -8,-2.6 -8,-2.2 -2,-0.1 2,-0.4 -0.867 33.2-103.4-151.4-175.9 6.6 -12.0 -24.9 16 18 A L E -AB 6 233A 2 217,-0.5 217,-3.0 -2,-0.3 2,-0.3 -0.966 33.3-176.1-118.9 134.6 4.4 -9.0 -24.7 17 19 A R E -AB 5 232A 86 -12,-2.6 -12,-1.9 -2,-0.4 2,-0.2 -0.928 31.8 -95.7-130.9 159.4 2.7 -7.4 -27.7 18 20 A A E -A 4 0A 1 213,-2.1 212,-3.1 210,-0.4 -14,-0.2 -0.540 23.3-172.6 -76.0 135.6 0.5 -4.4 -28.4 19 21 A V S S+ 0 0 55 -16,-2.7 -15,-0.2 -2,-0.2 -1,-0.1 0.530 79.9 26.0 -95.2 -23.9 -3.3 -4.9 -28.4 20 22 A T S S- 0 0 48 -17,-0.9 -1,-0.1 208,-0.1 210,-0.1 -0.930 103.3 -83.6-134.0 155.3 -4.0 -1.3 -29.6 21 23 A P - 0 0 93 0, 0.0 2,-0.4 0, 0.0 207,-0.2 -0.439 51.4-151.5 -59.1 137.5 -1.7 1.1 -31.6 22 24 A L B -C 227 0B 6 205,-3.0 205,-2.3 -2,-0.1 -4,-0.0 -0.904 8.9-155.4-117.3 145.9 0.6 2.9 -29.1 23 25 A R > - 0 0 42 -2,-0.4 3,-2.4 203,-0.2 200,-0.3 -0.848 40.0 -77.5-112.4 161.5 2.2 6.3 -29.2 24 26 A P T 3 S+ 0 0 53 0, 0.0 200,-0.3 0, 0.0 3,-0.1 -0.217 118.1 20.0 -58.1 134.1 5.4 7.5 -27.6 25 27 A G T 3 S+ 0 0 12 198,-3.6 2,-0.2 1,-0.3 199,-0.1 0.246 85.9 143.5 94.5 -12.2 4.9 8.3 -23.9 26 28 A E < - 0 0 49 -3,-2.4 197,-2.3 1,-0.1 2,-0.4 -0.442 53.8-122.6 -64.6 132.3 1.8 6.1 -23.6 27 29 A L E +D 222 0C 39 195,-0.2 195,-0.2 -2,-0.2 3,-0.1 -0.587 34.6 173.2 -75.1 124.6 1.6 4.3 -20.2 28 30 A L E - 0 0 10 193,-3.2 -25,-0.5 1,-0.4 2,-0.3 0.749 59.6 -12.9-106.6 -33.7 1.4 0.5 -20.9 29 31 A F E -D 221 0C 21 192,-1.3 192,-2.9 -27,-0.1 -1,-0.4 -0.968 52.1-158.8-162.2 154.9 1.6 -1.0 -17.4 30 32 A R E +D 220 0C 122 -2,-0.3 2,-0.3 190,-0.2 190,-0.2 -0.987 18.1 173.6-144.0 145.5 2.5 -0.1 -13.9 31 33 A S E -D 219 0C 6 188,-2.2 188,-2.7 -2,-0.3 3,-0.0 -0.962 29.7-143.2-150.9 140.8 3.6 -2.4 -11.1 32 34 A D - 0 0 103 -2,-0.3 2,-0.1 186,-0.2 186,-0.1 -0.534 53.9 -88.0 -86.1 165.0 4.8 -2.5 -7.6 33 35 A P - 0 0 18 0, 0.0 163,-0.2 0, 0.0 3,-0.2 -0.479 13.5-138.7 -71.1 154.9 7.3 -5.4 -7.1 34 36 A L S S- 0 0 6 161,-2.7 2,-0.3 1,-0.3 162,-0.1 0.908 95.9 -14.4 -63.8 -45.2 6.4 -8.9 -6.1 35 37 A A E S+F 195 0D 6 160,-1.0 160,-2.5 74,-0.0 -1,-0.3 -0.961 74.3 172.1-153.4 149.9 9.4 -8.5 -3.9 36 38 A Y E -F 194 0D 38 -2,-0.3 2,-0.3 158,-0.3 158,-0.2 -0.982 8.3-168.9-157.2 160.5 12.3 -6.1 -3.6 37 39 A T E -F 193 0D 2 156,-2.4 156,-2.5 -2,-0.3 2,-0.1 -0.980 34.6 -96.4-145.2 154.3 15.3 -5.2 -1.4 38 40 A V E -F 192 0D 0 -2,-0.3 154,-0.3 154,-0.2 2,-0.2 -0.464 50.2-112.2 -62.1 145.1 17.8 -2.4 -1.0 39 41 A C >> - 0 0 21 152,-2.2 3,-1.6 144,-0.1 4,-1.1 -0.537 27.2-100.1 -86.3 159.8 21.1 -3.3 -2.8 40 42 A K G >4 S+ 0 0 124 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.784 119.6 45.9 -46.2 -46.2 24.4 -3.9 -1.0 41 43 A G G 34 S+ 0 0 9 1,-0.2 -1,-0.3 3,-0.0 150,-0.0 0.755 115.6 45.3 -71.5 -30.5 25.9 -0.5 -1.6 42 44 A S G X> S+ 0 0 0 -3,-1.6 3,-2.6 149,-0.1 4,-2.1 0.484 77.9 122.3 -95.5 -7.6 22.8 1.4 -0.6 43 45 A R B << S+h 46 0E 90 -4,-1.1 4,-0.1 -3,-0.5 23,-0.1 -0.385 87.4 11.9 -58.0 130.4 21.9 -0.5 2.6 44 46 A G T 34 S+ 0 0 28 2,-0.5 -1,-0.3 21,-0.2 13,-0.2 0.530 121.3 72.8 76.5 0.4 21.9 2.0 5.4 45 47 A V T <4 S+ 0 0 42 -3,-2.6 9,-1.4 1,-0.3 2,-0.3 0.686 99.5 33.5-109.6 -39.5 22.0 4.9 3.0 46 48 A V B < S-hI 43 53E 0 -4,-2.1 -2,-0.5 7,-0.2 -1,-0.3 -0.842 97.9 -88.8-115.2 157.9 18.4 4.8 1.5 47 49 A C > - 0 0 0 5,-2.6 4,-2.1 -2,-0.3 21,-0.3 -0.397 29.9-135.8 -63.3 127.7 15.2 3.8 3.2 48 50 A D T 4 S+ 0 0 6 19,-3.4 -1,-0.2 2,-0.2 20,-0.1 0.807 102.2 37.0 -46.2 -40.6 14.5 0.0 2.9 49 51 A R T 4 S+ 0 0 91 18,-0.3 -1,-0.1 3,-0.1 19,-0.1 0.942 130.2 22.5 -84.8 -61.1 10.9 0.8 2.0 50 52 A C T 4 S- 0 0 21 2,-0.1 -2,-0.2 166,-0.1 3,-0.1 0.570 89.8-134.1 -92.8 -8.5 10.8 3.9 -0.1 51 53 A L < + 0 0 3 -4,-2.1 2,-0.3 1,-0.2 165,-0.1 0.671 56.7 140.0 60.0 31.8 14.4 3.8 -1.4 52 54 A L - 0 0 107 133,-0.1 -5,-2.6 -5,-0.0 -1,-0.2 -0.776 53.3-116.5-100.7 144.8 14.9 7.5 -0.7 53 55 A G B +I 46 0E 47 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.402 34.2 176.6 -78.3 145.1 18.2 8.8 0.7 54 56 A K - 0 0 42 -9,-1.4 3,-0.1 1,-0.1 15,-0.0 -0.977 36.9-130.8-142.6 153.0 18.3 10.5 4.1 55 57 A E S S+ 0 0 119 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.939 102.4 29.0 -64.7 -44.9 21.1 11.9 6.2 56 58 A K S S- 0 0 85 13,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.966 73.8-171.6-123.2 122.2 19.9 10.0 9.2 57 59 A L - 0 0 37 -2,-0.5 2,-0.5 -13,-0.2 12,-0.2 -0.879 21.3-127.1-106.4 152.5 18.0 6.7 9.0 58 60 A M E -J 68 0F 77 10,-3.2 10,-2.5 -2,-0.3 2,-0.2 -0.840 25.5-139.4 -99.3 128.5 16.2 4.8 11.8 59 61 A R E -J 67 0F 126 -2,-0.5 2,-0.4 8,-0.2 8,-0.2 -0.546 20.7-105.0 -88.5 149.8 17.2 1.2 12.3 60 62 A C > - 0 0 4 6,-2.7 4,-2.1 -2,-0.2 5,-0.1 -0.586 28.9-144.3 -63.9 128.3 14.9 -1.8 13.1 61 63 A S T 4 S+ 0 0 92 -2,-0.4 -1,-0.1 2,-0.2 -2,-0.0 0.837 91.9 53.4 -71.2 -29.7 15.6 -2.5 16.7 62 64 A Q T 4 S+ 0 0 74 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.0 0.962 130.0 10.4 -71.4 -50.2 15.3 -6.3 16.4 63 65 A C T 4 S- 0 0 13 3,-0.1 -2,-0.2 27,-0.0 -1,-0.1 0.724 79.0-148.2-101.0 -30.0 17.7 -6.9 13.5 64 66 A R S < S+ 0 0 142 -4,-2.1 -3,-0.1 2,-0.1 3,-0.1 0.669 79.5 89.7 63.9 21.4 19.5 -3.5 13.2 65 67 A V + 0 0 20 -5,-0.1 2,-0.2 1,-0.1 -21,-0.2 0.785 66.8 71.6-110.4 -49.9 19.8 -4.3 9.5 66 68 A A - 0 0 0 -23,-0.1 -6,-2.7 -6,-0.1 2,-0.3 -0.547 67.6-170.3 -67.7 133.3 16.6 -2.8 8.0 67 69 A K E -J 59 0F 64 -8,-0.2 -19,-3.4 -2,-0.2 2,-0.3 -0.956 1.8-164.4-132.5 148.1 16.7 1.0 8.0 68 70 A Y E -J 58 0F 1 -10,-2.5 -10,-3.2 -2,-0.3 3,-0.1 -0.940 29.3-135.4-138.4 155.5 14.0 3.5 7.3 69 71 A C S S- 0 0 51 -2,-0.3 2,-0.3 -12,-0.2 -13,-0.1 0.654 87.7 -3.3 -73.2 -26.3 13.4 7.2 6.6 70 72 A S S > S- 0 0 36 -12,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.983 72.8 -97.9-163.3 155.7 10.5 7.5 9.0 71 73 A A H > S+ 0 0 67 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.890 120.9 58.4 -52.1 -37.8 8.2 5.9 11.4 72 74 A K H > S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.955 109.2 43.3 -63.1 -45.6 5.6 5.6 8.6 73 75 A C H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.934 113.5 49.9 -69.0 -41.1 8.1 3.6 6.4 74 76 A Q H < S+ 0 0 56 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.919 116.3 43.1 -62.2 -45.7 9.4 1.3 9.2 75 77 A K H >< S+ 0 0 91 -4,-2.7 3,-1.2 -5,-0.2 -1,-0.2 0.927 114.0 48.8 -66.6 -45.4 5.8 0.5 10.3 76 78 A K H 3< S+ 0 0 66 -4,-2.7 4,-0.3 -5,-0.3 -1,-0.2 0.815 111.4 52.6 -61.8 -33.5 4.5 0.0 6.8 77 79 A A T 3X S+ 0 0 12 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.3 0.535 85.8 89.5 -73.2 -16.0 7.4 -2.3 6.0 78 80 A W H X> S+ 0 0 107 -3,-1.2 4,-2.2 -4,-0.4 3,-0.6 0.913 80.5 53.4 -62.5 -46.2 6.9 -4.5 9.1 79 81 A P H 34 S+ 0 0 89 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.916 117.0 39.0 -54.0 -40.6 4.5 -7.1 7.5 80 82 A D H 34 S+ 0 0 95 -4,-0.3 4,-0.3 -3,-0.2 -2,-0.2 0.589 122.6 44.0 -86.3 -8.6 7.0 -7.8 4.6 81 83 A H H S+ 0 0 41 -4,-0.4 4,-1.1 1,-0.2 3,-0.3 0.913 116.8 47.0 -73.9 -39.6 10.0 -13.0 8.9 84 86 A E H > S+ 0 0 1 -4,-0.3 4,-3.4 1,-0.2 5,-0.3 0.769 101.1 69.5 -68.9 -23.5 13.3 -11.9 7.4 85 87 A C H X S+ 0 0 5 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.951 99.5 46.6 -60.5 -45.5 14.0 -9.9 10.5 86 88 A K H X S+ 0 0 36 -4,-1.0 4,-2.3 -3,-0.3 -1,-0.2 0.845 115.1 47.6 -65.2 -34.6 14.5 -13.1 12.6 87 89 A C H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.956 112.6 46.7 -71.9 -47.3 16.7 -14.5 9.9 88 90 A L H < S+ 0 0 3 -4,-3.4 4,-0.4 1,-0.2 -2,-0.2 0.879 115.4 48.3 -59.3 -40.8 18.8 -11.4 9.6 89 91 A K H >< S+ 0 0 81 -4,-2.8 3,-1.1 -5,-0.3 -1,-0.2 0.933 110.3 51.8 -62.6 -46.8 19.0 -11.3 13.4 90 92 A S H 3< S+ 0 0 45 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.878 112.5 43.5 -60.8 -38.8 20.0 -15.0 13.6 91 93 A C T >< S+ 0 0 10 -4,-2.1 3,-3.1 61,-0.2 -1,-0.3 0.319 90.5 169.2 -99.6 5.6 22.9 -14.8 11.1 92 94 A K T < + 0 0 65 -3,-1.1 3,-0.1 1,-0.4 -3,-0.0 -0.360 62.6 27.0 -52.4 132.3 24.4 -11.5 12.4 93 95 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.923 107.6 86.5 -99.6 17.5 27.0 -10.4 11.6 94 96 A R < - 0 0 60 -3,-3.1 -3,-0.1 -6,-0.1 0, 0.0 -0.532 58.8-161.6 -72.4 137.7 26.7 -12.2 8.2 95 97 A Y - 0 0 55 -2,-0.2 3,-0.1 -3,-0.1 -7,-0.0 -0.998 17.5-128.8-118.7 130.6 24.8 -10.3 5.5 96 98 A P - 0 0 12 0, 0.0 5,-0.0 0, 0.0 53,-0.0 -0.265 28.8 -89.3 -75.7 159.1 23.4 -12.3 2.6 97 99 A P >> - 0 0 55 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.286 43.9-110.8 -51.0 150.1 23.9 -11.7 -1.2 98 100 A D H 3> S+ 0 0 41 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.857 118.4 57.3 -55.8 -42.3 21.1 -9.4 -2.5 99 101 A S H 3> S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.835 106.3 49.6 -58.3 -34.1 19.6 -12.3 -4.5 100 102 A V H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.941 111.7 46.3 -74.4 -40.4 19.3 -14.4 -1.3 101 103 A R H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.936 114.1 51.4 -65.0 -39.8 17.5 -11.6 0.6 102 104 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.935 109.3 47.2 -60.9 -50.4 15.3 -11.0 -2.5 103 105 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.874 107.2 58.4 -65.3 -33.5 14.3 -14.7 -2.8 104 106 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.953 108.5 45.7 -54.9 -48.2 13.6 -14.8 0.9 105 107 A R H X S+ 0 0 23 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.873 110.3 54.3 -65.0 -34.6 11.1 -12.0 0.4 106 108 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.944 109.6 47.0 -59.2 -51.0 9.7 -13.8 -2.6 107 109 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.928 113.3 47.6 -60.7 -43.8 9.0 -16.9 -0.6 108 110 A F H X S+ 0 0 15 -4,-2.5 4,-2.7 1,-0.2 5,-0.5 0.924 112.5 50.0 -67.7 -37.1 7.4 -15.0 2.3 109 111 A K H X S+ 0 0 39 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.906 113.5 45.4 -64.5 -44.3 5.2 -13.0 -0.1 110 112 A L H < S+ 0 0 56 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.862 119.2 41.6 -70.2 -30.1 4.1 -16.2 -1.9 111 113 A M H < S+ 0 0 68 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.861 131.7 18.7 -77.8 -41.4 3.4 -18.1 1.4 112 114 A D H < S+ 0 0 106 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.2 0.566 105.8 80.2-113.2 -21.4 1.8 -15.3 3.4 113 115 A G S < S- 0 0 34 -4,-1.8 3,-0.1 -5,-0.5 -33,-0.0 -0.636 78.2-106.3 -98.0 154.0 0.5 -12.6 1.1 114 116 A A - 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