==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UBIQUITIN CONJUGATION 12-NOV-97 1AYZ . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME RAD6; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR D.K.WORTHYLAKE,S.PRAKASH,L.PRAKASH,C.P.HILL . 459 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 16.3 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 28 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 0 0 0 0 4 1 0 1 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 0 0 3 0 3 3 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 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 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 2 A S 0 0 117 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.3 23.8 24.1 30.0 2 3 A T > - 0 0 37 1,-0.1 4,-2.9 0, 0.0 5,-0.3 -0.864 360.0 -86.4-142.5 172.0 23.6 21.9 26.9 3 4 A P H > S+ 0 0 97 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.965 128.1 46.8 -48.7 -54.7 22.1 18.5 26.0 4 5 A A H > S+ 0 0 1 56,-0.3 4,-2.4 1,-0.2 5,-0.2 0.925 112.4 48.9 -54.0 -49.5 25.2 16.7 27.3 5 6 A R H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.932 111.8 48.7 -60.1 -42.1 25.3 18.6 30.5 6 7 A R H X S+ 0 0 111 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.901 110.2 51.6 -64.1 -41.0 21.6 18.1 31.2 7 8 A R H X S+ 0 0 29 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.906 109.6 51.0 -59.2 -44.4 22.0 14.3 30.5 8 9 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.834 106.0 53.8 -63.3 -34.8 24.9 14.4 33.0 9 10 A M H X S+ 0 0 104 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.903 110.1 48.6 -65.4 -40.4 22.7 16.1 35.6 10 11 A R H X S+ 0 0 147 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.847 108.2 52.8 -66.9 -36.4 20.2 13.2 35.0 11 12 A D H X S+ 0 0 7 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.810 109.1 52.4 -66.7 -30.8 22.9 10.6 35.4 12 13 A F H X S+ 0 0 44 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.871 103.2 54.5 -73.8 -40.1 23.8 12.4 38.7 13 14 A K H X S+ 0 0 127 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.939 108.6 51.2 -58.6 -45.1 20.2 12.2 40.1 14 15 A R H X S+ 0 0 90 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.838 111.7 46.1 -60.6 -36.5 20.3 8.5 39.5 15 16 A M H < S+ 0 0 11 -4,-1.2 4,-0.4 1,-0.2 -1,-0.2 0.828 111.1 53.1 -76.4 -31.6 23.6 8.2 41.4 16 17 A K H < S+ 0 0 150 -4,-2.4 -2,-0.2 2,-0.1 -1,-0.2 0.906 128.0 16.6 -68.3 -41.4 22.4 10.4 44.2 17 18 A E H < S+ 0 0 149 -4,-2.4 2,-0.6 -5,-0.2 -3,-0.2 0.919 136.7 25.9 -97.0 -68.2 19.2 8.2 44.7 18 19 A D S < S+ 0 0 111 -4,-0.5 -2,-0.1 -5,-0.3 -1,-0.1 -0.346 76.2 169.5 -98.8 53.1 19.5 4.8 43.1 19 20 A A - 0 0 42 -2,-0.6 -4,-0.1 -4,-0.4 3,-0.1 -0.472 38.9-112.5 -66.6 126.5 23.3 4.4 43.1 20 21 A P > - 0 0 14 0, 0.0 3,-1.4 0, 0.0 2,-0.1 -0.192 43.2 -83.2 -58.0 152.6 24.2 0.8 42.2 21 22 A P T 3 S+ 0 0 112 0, 0.0 3,-0.1 0, 0.0 19,-0.0 -0.370 110.8 7.4 -61.6 130.0 25.9 -1.4 44.9 22 23 A G T 3 S+ 0 0 33 1,-0.2 18,-2.9 -3,-0.1 2,-0.4 0.353 111.9 93.1 82.2 -6.5 29.6 -0.9 45.4 23 24 A V E < +A 39 0A 7 -3,-1.4 2,-0.3 16,-0.2 16,-0.2 -0.961 43.5 169.2-125.5 140.1 29.8 2.1 43.0 24 25 A S E +A 38 0A 57 14,-2.0 14,-2.6 -2,-0.4 2,-0.3 -0.988 4.1 166.0-144.4 146.7 29.6 5.8 43.7 25 26 A A E +A 37 0A 11 -2,-0.3 12,-0.2 12,-0.3 77,-0.0 -0.984 6.4 177.0-158.5 158.7 30.3 8.8 41.5 26 27 A S E -A 36 0A 58 10,-2.3 10,-2.4 -2,-0.3 2,-0.1 -0.947 27.0-118.6-167.2 139.9 29.8 12.6 41.5 27 28 A P E -A 35 0A 18 0, 0.0 8,-0.2 0, 0.0 5,-0.2 -0.376 47.4 -87.8 -76.4 161.0 30.7 15.6 39.3 28 29 A L E > -A 31 0A 59 6,-1.9 3,-0.6 3,-1.2 6,-0.1 -0.432 41.2-114.7 -65.1 145.3 32.8 18.5 40.6 29 30 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.754 115.2 31.4 -55.8 -20.0 30.5 21.0 42.3 30 31 A D T 3 S+ 0 0 142 1,-0.2 2,-0.3 2,-0.0 -2,-0.0 0.482 120.8 47.0-116.3 -7.2 31.4 23.5 39.5 31 32 A N E X -A 28 0A 49 -3,-0.6 3,-1.4 3,-0.2 -3,-1.2 -0.823 50.3-173.7-144.2 103.6 32.1 21.3 36.4 32 33 A V E 3 S+ 0 0 22 -2,-0.3 -1,-0.1 1,-0.2 26,-0.1 0.561 82.0 72.1 -71.3 -7.6 29.7 18.6 35.4 33 34 A M E 3 S+ 0 0 16 1,-0.1 25,-3.0 24,-0.1 2,-0.5 0.605 93.8 57.1 -84.0 -12.9 32.2 17.5 32.7 34 35 A V E < - B 0 57A 31 -3,-1.4 -6,-1.9 23,-0.2 2,-0.4 -0.979 68.8-178.8-123.8 123.6 34.6 16.0 35.2 35 36 A W E -AB 27 56A 0 21,-3.0 21,-2.7 -2,-0.5 2,-0.4 -0.925 18.3-148.3-123.8 150.3 33.5 13.3 37.6 36 37 A N E +AB 26 55A 66 -10,-2.4 -10,-2.3 -2,-0.4 2,-0.3 -0.876 25.6 175.6-111.3 143.6 35.2 11.4 40.4 37 38 A A E -AB 25 54A 6 17,-1.8 17,-2.4 -2,-0.4 2,-0.3 -0.948 17.2-157.9-146.0 165.9 34.1 7.8 41.1 38 39 A M E -AB 24 53A 29 -14,-2.6 -14,-2.0 -2,-0.3 2,-0.5 -0.986 2.7-161.5-152.5 135.3 35.0 4.8 43.2 39 40 A I E -AB 23 52A 0 13,-2.7 13,-1.9 -2,-0.3 2,-0.5 -0.985 21.9-133.7-118.3 124.6 34.3 1.1 42.9 40 41 A I E - B 0 51A 57 -18,-2.9 11,-0.2 -2,-0.5 3,-0.1 -0.706 36.1-103.3 -79.4 125.6 34.6 -1.0 46.1 41 42 A G - 0 0 2 9,-2.9 8,-2.9 -2,-0.5 -1,-0.1 -0.309 53.9-107.5 -48.8 119.1 36.6 -4.2 45.3 42 43 A P > - 0 0 16 0, 0.0 3,-1.1 0, 0.0 5,-0.1 0.047 34.2 -81.3 -55.6 160.8 33.9 -6.8 45.0 43 44 A A T 3 S+ 0 0 64 1,-0.2 2,-0.8 5,-0.1 5,-0.1 0.782 108.7 10.9 -21.1-103.1 33.0 -9.6 47.4 44 45 A D T 3 S+ 0 0 155 3,-0.1 -1,-0.2 4,-0.1 0, 0.0 -0.225 100.6 107.1 -92.0 49.8 35.1 -12.8 47.2 45 46 A T S X S- 0 0 18 -3,-1.1 3,-1.9 -2,-0.8 68,-0.1 -0.769 84.1-112.2-119.1 158.8 37.8 -11.5 45.0 46 47 A P T 3 S+ 0 0 28 0, 0.0 98,-0.2 0, 0.0 -5,-0.1 0.604 120.1 64.2 -68.4 -4.9 41.4 -10.7 46.0 47 48 A Y T > S+ 0 0 0 65,-0.2 3,-2.4 -5,-0.1 -6,-0.3 0.537 77.2 149.4 -89.0 -12.0 40.3 -7.1 45.2 48 49 A E T < - 0 0 83 -3,-1.9 -5,-0.1 1,-0.3 -7,-0.1 0.089 69.7 -5.0 -32.0 119.1 37.8 -7.3 48.1 49 50 A D T 3 S+ 0 0 92 -8,-2.9 -1,-0.3 1,-0.2 2,-0.2 0.475 88.4 146.9 69.8 9.6 37.1 -4.0 49.8 50 51 A G < - 0 0 0 -3,-2.4 -9,-2.9 -8,-0.1 2,-1.1 -0.508 48.4-134.9 -74.0 141.4 39.7 -2.0 47.9 51 52 A T E -B 40 0A 20 93,-0.5 2,-0.6 -11,-0.2 -11,-0.2 -0.717 29.0-174.1 -97.8 83.4 38.6 1.6 47.3 52 53 A F E -B 39 0A 0 -13,-1.9 -13,-2.7 -2,-1.1 2,-0.3 -0.702 6.3-157.4 -85.5 116.5 39.5 2.0 43.7 53 54 A R E -B 38 0A 68 -2,-0.6 19,-2.9 -15,-0.2 20,-1.6 -0.711 10.1-174.0 -97.8 143.2 39.1 5.5 42.4 54 55 A L E -BC 37 71A 0 -17,-2.4 -17,-1.8 -2,-0.3 2,-0.4 -0.792 18.0-136.6-126.1 171.7 38.6 6.6 38.8 55 56 A L E -BC 36 70A 23 15,-2.7 15,-1.7 -2,-0.3 2,-0.5 -0.999 15.4-166.2-134.4 124.8 38.3 9.9 36.8 56 57 A L E -BC 35 69A 0 -21,-2.7 -21,-3.0 -2,-0.4 2,-0.5 -0.978 2.2-170.8-117.4 127.5 35.7 10.3 34.1 57 58 A E E -BC 34 68A 79 11,-2.5 11,-3.1 -2,-0.5 -23,-0.2 -0.978 9.0-173.8-122.9 118.0 36.0 13.2 31.7 58 59 A F - 0 0 18 -25,-3.0 2,-0.3 -2,-0.5 -25,-0.1 -0.542 5.9-162.8-102.4 172.0 33.1 13.9 29.3 59 60 A D > - 0 0 45 6,-0.3 3,-1.7 -2,-0.2 6,-0.1 -0.837 44.2 -81.1-142.3-178.5 32.5 16.3 26.4 60 61 A E T 3 S+ 0 0 91 1,-0.3 -56,-0.3 -2,-0.3 -55,-0.1 0.460 117.5 69.2 -71.6 -0.8 29.6 17.8 24.5 61 62 A E T >> S+ 0 0 111 5,-0.1 3,-1.8 2,-0.1 4,-1.1 0.519 81.5 152.5 -92.5 -5.1 29.2 14.7 22.3 62 63 A Y T <4 + 0 0 4 -3,-1.7 -55,-0.1 1,-0.3 -54,-0.1 -0.433 56.9 19.1 -67.4 141.6 27.9 12.7 25.3 63 64 A P T 34 S+ 0 0 21 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 -0.941 125.3 54.8 -90.4 11.7 26.1 10.3 25.4 64 65 A N T <4 S+ 0 0 121 -3,-1.8 -2,-0.3 1,-0.2 34,-0.1 0.830 118.3 39.6 -71.2 -29.0 26.7 9.6 21.7 65 66 A K S < S- 0 0 91 -4,-1.1 -6,-0.3 -6,-0.1 -1,-0.2 -0.966 93.7-123.0-120.5 132.6 30.4 9.5 22.5 66 67 A P - 0 0 31 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.213 28.6-106.6 -71.0 164.8 31.7 7.9 25.8 67 68 A P - 0 0 8 0, 0.0 2,-0.6 0, 0.0 -9,-0.2 -0.449 34.9 -98.4 -88.0 164.0 33.7 9.7 28.4 68 69 A H E -C 57 0A 74 -11,-3.1 -11,-2.5 -2,-0.1 2,-0.4 -0.753 47.1-169.7 -83.3 122.9 37.4 9.1 28.9 69 70 A V E +C 56 0A 9 -2,-0.6 17,-0.8 -13,-0.2 2,-0.3 -0.974 14.5 156.8-119.7 132.9 37.7 6.8 31.9 70 71 A K E -CD 55 85A 63 -15,-1.7 -15,-2.7 -2,-0.4 2,-0.3 -0.988 39.8-112.7-151.9 150.7 40.8 5.9 33.8 71 72 A F E -C 54 0A 8 13,-2.4 -17,-0.3 -2,-0.3 4,-0.1 -0.688 15.5-167.9 -83.4 136.2 41.7 4.6 37.3 72 73 A L S S+ 0 0 93 -19,-2.9 -18,-0.2 -2,-0.3 -1,-0.1 0.697 70.1 81.4 -92.7 -24.8 43.6 7.0 39.5 73 74 A S S S- 0 0 6 -20,-1.6 2,-0.3 1,-0.1 -2,-0.1 -0.438 97.9 -97.6 -78.8 153.1 44.4 4.2 41.9 74 75 A E - 0 0 105 69,-0.2 2,-0.3 -2,-0.1 73,-0.1 -0.567 53.0-166.5 -69.7 131.9 47.3 1.9 41.3 75 76 A M - 0 0 23 -2,-0.3 2,-0.3 6,-0.2 9,-0.1 -0.915 30.7-167.0-128.2 154.9 45.8 -1.3 39.7 76 77 A F + 0 0 9 -2,-0.3 5,-0.1 64,-0.1 67,-0.1 -0.804 44.4 124.6-138.1 88.3 46.8 -4.8 38.9 77 78 A H > - 0 0 3 3,-0.4 3,-2.0 -2,-0.3 48,-0.1 -0.986 65.0-124.1-149.7 137.8 44.2 -6.2 36.6 78 79 A P T 3 S+ 0 0 0 0, 0.0 43,-4.0 0, 0.0 44,-1.7 0.742 112.7 49.8 -53.1 -26.3 44.5 -7.8 33.1 79 80 A N T 3 S+ 0 0 14 41,-0.2 8,-3.4 42,-0.2 2,-0.5 0.443 97.2 81.0 -94.3 -1.8 42.0 -5.2 31.7 80 81 A V B < -E 86 0B 3 -3,-2.0 -3,-0.4 6,-0.2 6,-0.2 -0.930 68.3-145.7-114.5 121.7 43.7 -2.1 33.1 81 82 A Y > - 0 0 101 4,-2.9 3,-0.8 -2,-0.5 -6,-0.2 0.036 33.1 -97.5 -69.6-177.8 46.8 -0.5 31.4 82 83 A A T 3 S+ 0 0 113 39,-0.2 -7,-0.1 1,-0.2 -1,-0.1 0.754 122.1 54.5 -75.2 -29.4 49.7 1.2 33.3 83 84 A N T 3 S- 0 0 95 2,-0.1 -1,-0.2 -9,-0.0 3,-0.1 0.268 124.0-101.9 -88.0 8.2 48.3 4.7 32.8 84 85 A G S < S+ 0 0 6 -3,-0.8 -13,-2.4 1,-0.3 -2,-0.1 0.330 76.6 141.6 90.1 -8.0 45.0 3.6 34.4 85 86 A E B -D 70 0A 72 -15,-0.2 -4,-2.9 -5,-0.1 2,-0.4 -0.338 44.5-131.9 -68.4 152.0 43.2 3.3 31.1 86 87 A I B -E 80 0B 5 -17,-0.8 2,-0.9 -6,-0.2 -6,-0.2 -0.854 2.8-142.8-111.5 138.3 40.7 0.4 30.8 87 88 A C + 0 0 27 -8,-3.4 2,-0.3 -2,-0.4 34,-0.1 -0.867 48.1 136.7 -97.9 101.2 40.4 -2.1 27.9 88 89 A L >> - 0 0 17 -2,-0.9 3,-1.5 1,-0.1 4,-0.7 -0.887 51.4-145.0-152.3 116.5 36.6 -2.6 27.7 89 90 A D G >4>S+ 0 0 62 -2,-0.3 5,-2.1 1,-0.3 3,-1.2 0.816 100.7 64.8 -46.5 -39.8 34.6 -2.7 24.5 90 91 A I G 345S+ 0 0 20 1,-0.3 -1,-0.3 4,-0.2 6,-0.2 0.872 105.9 44.6 -51.8 -41.3 31.6 -1.0 26.3 91 92 A L G <45S+ 0 0 15 -3,-1.5 -1,-0.3 4,-0.1 -2,-0.2 0.571 127.8 26.4 -80.2 -15.2 33.9 2.0 26.7 92 93 A Q T X<5S- 0 0 92 -3,-1.2 3,-1.9 -4,-0.7 -3,-0.1 0.230 129.4 -7.4-115.0-121.7 35.0 1.7 23.0 93 94 A N T 3 5S+ 0 0 134 1,-0.3 -3,-0.1 -2,-0.0 -4,-0.1 0.726 129.0 55.4 -55.0 -27.0 33.5 0.3 19.9 94 95 A R T 3 - 0 0 52 -6,-0.2 3,-2.2 -2,-0.1 -31,-0.1 -0.986 33.6-119.8-136.1 144.3 25.7 2.9 23.0 97 98 A P T 3 S+ 0 0 62 0, 0.0 -33,-0.1 0, 0.0 -32,-0.1 0.539 107.6 73.7 -58.2 -9.6 24.0 6.3 23.9 98 99 A T T 3 S+ 0 0 115 -34,-0.1 -34,-0.1 2,-0.0 -3,-0.0 0.670 78.0 98.2 -79.7 -17.9 21.8 4.4 26.4 99 100 A Y < - 0 0 53 -3,-2.2 2,-0.3 -36,-0.2 3,-0.0 -0.286 51.5-179.1 -70.2 155.0 24.7 3.9 28.8 100 101 A D > - 0 0 27 1,-0.1 4,-2.6 -89,-0.0 5,-0.2 -0.837 46.9 -82.6-144.5 177.5 25.2 6.2 31.8 101 102 A V H > S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.937 127.1 52.0 -50.9 -49.3 27.6 6.7 34.6 102 103 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.940 112.4 42.8 -52.0 -58.5 25.9 4.0 36.6 103 104 A S H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.838 113.6 53.5 -59.7 -35.3 26.1 1.4 33.8 104 105 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 5,-0.2 0.972 111.8 44.8 -63.7 -51.6 29.7 2.4 33.0 105 106 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.890 114.0 48.7 -60.3 -42.4 30.7 1.9 36.6 106 107 A T H X S+ 0 0 38 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.929 109.0 52.9 -65.4 -42.2 28.9 -1.4 36.9 107 108 A S H X S+ 0 0 27 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.867 114.1 42.8 -60.8 -37.3 30.4 -2.7 33.7 108 109 A I H X S+ 0 0 2 -4,-1.9 4,-0.5 2,-0.2 3,-0.4 0.847 110.8 55.9 -75.4 -37.6 33.9 -1.9 35.0 109 110 A Q H >X S+ 0 0 36 -4,-2.4 3,-1.9 1,-0.2 4,-0.5 0.939 101.0 59.5 -58.2 -45.9 33.0 -3.3 38.5 110 111 A S H >< S+ 0 0 63 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.811 91.5 68.4 -55.0 -32.8 32.1 -6.5 36.8 111 112 A L H >< S+ 0 0 23 -4,-0.7 3,-1.5 -3,-0.4 -1,-0.3 0.801 90.4 62.7 -60.1 -28.5 35.6 -6.9 35.4 112 113 A F H << S+ 0 0 5 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.830 102.8 49.5 -64.8 -32.0 36.8 -7.4 39.0 113 114 A N T << S+ 0 0 89 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.093 118.9 39.6 -91.9 19.9 34.7 -10.6 39.2 114 115 A D < + 0 0 84 -3,-1.5 2,-1.4 0, 0.0 -1,-0.2 -0.287 56.9 175.7-170.1 70.0 36.2 -11.8 35.8 115 116 A P + 0 0 16 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.045 51.7 113.3 -72.2 38.5 39.9 -11.2 35.2 116 117 A N + 0 0 101 -2,-1.4 2,-0.1 -5,-0.1 3,-0.0 -0.350 37.2 161.1-112.9 55.8 39.6 -13.2 32.0 117 118 A P - 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