==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 08-MAR-11 2YBF . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 B; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.G.HIBBERT,T.K.SIXMA . 171 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 64.9 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 . 25 14.6 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 6 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 1 0 0 0 1 1 1 1 0 0 0 0 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 . 2 0 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 T > 0 0 80 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 154.1 30.0 9.3 -6.5 2 4 A P H > + 0 0 78 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.886 360.0 55.3 -55.4 -42.1 28.9 12.1 -8.8 3 5 A A H > S+ 0 0 0 56,-0.4 4,-2.1 1,-0.2 5,-0.1 0.914 109.0 46.2 -58.4 -46.3 28.3 14.5 -5.8 4 6 A R H > S+ 0 0 107 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.864 111.4 51.9 -67.4 -37.1 31.9 14.0 -4.6 5 7 A R H X S+ 0 0 148 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.903 111.6 47.9 -63.2 -41.7 33.3 14.5 -8.1 6 8 A R H X S+ 0 0 28 -4,-2.3 4,-2.1 1,-0.2 3,-0.2 0.888 107.3 55.3 -65.4 -40.4 31.4 17.7 -8.4 7 9 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.823 102.7 55.5 -69.0 -30.6 32.4 19.1 -5.0 8 10 A M H X S+ 0 0 118 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.863 109.0 49.0 -66.1 -34.4 36.1 18.7 -5.9 9 11 A R H X S+ 0 0 145 -4,-1.1 4,-2.2 -3,-0.2 -2,-0.2 0.896 107.5 54.0 -70.2 -41.4 35.4 20.9 -8.9 10 12 A D H X S+ 0 0 4 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.906 110.4 48.3 -55.3 -43.8 33.6 23.5 -6.7 11 13 A F H X S+ 0 0 73 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.909 109.7 50.2 -66.1 -44.5 36.7 23.6 -4.5 12 14 A K H X S+ 0 0 113 -4,-1.9 4,-2.3 1,-0.2 3,-0.5 0.874 106.8 55.5 -62.4 -39.2 39.2 24.0 -7.4 13 15 A R H X S+ 0 0 105 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.860 103.1 56.1 -63.0 -35.9 37.1 26.9 -8.9 14 16 A L H < S+ 0 0 10 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.804 111.4 43.8 -63.4 -30.8 37.3 28.7 -5.6 15 17 A Q H < S+ 0 0 101 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.854 117.6 43.0 -82.3 -38.4 41.1 28.6 -5.8 16 18 A E H < S+ 0 0 136 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.863 130.9 22.7 -75.1 -39.4 41.5 29.5 -9.5 17 19 A D S < S- 0 0 98 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.645 83.1-163.7-129.6 71.2 38.9 32.3 -9.4 18 20 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.388 15.9-132.5 -65.4 125.9 38.6 33.5 -5.8 19 21 A P > - 0 0 23 0, 0.0 3,-0.7 0, 0.0 2,-0.3 -0.509 25.5-109.2 -74.4 147.9 35.5 35.6 -5.2 20 22 A V T 3 S+ 0 0 98 1,-0.2 151,-0.1 -2,-0.2 148,-0.1 -0.593 94.2 7.0 -80.3 133.9 36.0 38.9 -3.3 21 23 A G T 3 S+ 0 0 2 149,-0.7 18,-2.8 147,-0.4 2,-0.3 0.457 115.2 76.9 80.6 0.5 34.7 39.0 0.3 22 24 A V E < +A 38 0A 1 -3,-0.7 2,-0.3 16,-0.2 16,-0.2 -0.955 49.2 176.7-138.2 160.9 33.7 35.4 0.7 23 25 A S E -A 37 0A 4 14,-2.0 14,-2.3 -2,-0.3 2,-0.3 -0.985 1.9-178.7-158.0 156.8 35.4 32.0 1.2 24 26 A G E +A 36 0A 7 -2,-0.3 12,-0.2 12,-0.2 77,-0.0 -0.982 5.7 163.6-158.9 149.3 34.5 28.3 1.7 25 27 A A E -A 35 0A 25 10,-2.3 10,-3.0 -2,-0.3 139,-0.0 -0.978 43.7 -82.7-160.8 154.3 36.2 24.9 2.4 26 28 A P E -A 34 0A 42 0, 0.0 2,-0.3 0, 0.0 8,-0.3 -0.260 47.5-116.7 -55.2 143.3 35.4 21.3 3.5 27 29 A S E > -A 30 0A 1 6,-3.0 3,-2.4 3,-0.8 6,-0.2 -0.688 69.1 -41.7 -84.5 139.0 35.2 20.8 7.3 28 30 A E T 3 S- 0 0 124 -2,-0.3 129,-0.0 1,-0.3 6,-0.0 -0.159 119.8 -33.4 44.1-113.3 37.9 18.4 8.7 29 31 A N T 3 S+ 0 0 166 0, 0.0 2,-0.8 0, 0.0 -1,-0.3 0.208 110.7 108.7-118.3 12.4 38.0 15.5 6.2 30 32 A N E X -A 27 0A 68 -3,-2.4 3,-1.2 3,-0.2 -3,-0.8 -0.823 44.2-172.7-101.3 107.7 34.3 15.5 5.2 31 33 A I E 3 S+ 0 0 22 -2,-0.8 -1,-0.1 1,-0.2 -3,-0.1 0.688 83.8 63.4 -67.7 -20.9 33.7 16.7 1.7 32 34 A M E 3 S+ 0 0 23 1,-0.1 25,-2.4 -5,-0.1 2,-0.4 0.511 100.9 54.6 -87.1 -6.0 29.9 16.7 2.2 33 35 A Q E < S- B 0 56A 55 -3,-1.2 -6,-3.0 -6,-0.2 2,-0.3 -0.979 71.2-173.5-129.9 121.1 30.0 19.4 5.0 34 36 A W E -AB 26 55A 0 21,-2.9 21,-2.7 -2,-0.4 2,-0.3 -0.840 17.9-142.3-114.4 149.3 31.7 22.8 4.4 35 37 A N E -AB 25 54A 1 -10,-3.0 -10,-2.3 -2,-0.3 2,-0.3 -0.783 27.2-177.8 -97.4 150.7 32.5 25.8 6.5 36 38 A A E -AB 24 53A 0 17,-2.2 17,-2.7 -2,-0.3 2,-0.4 -0.985 18.5-154.3-148.7 157.1 32.1 29.3 5.0 37 39 A V E -AB 23 52A 0 -14,-2.3 -14,-2.0 -2,-0.3 2,-0.4 -0.999 5.9-170.0-133.3 136.6 32.6 33.0 5.7 38 40 A I E -AB 22 51A 0 13,-2.3 13,-2.1 -2,-0.4 2,-0.4 -0.996 14.6-144.9-124.3 124.6 30.8 36.1 4.2 39 41 A F E - B 0 50A 6 -18,-2.8 11,-0.2 -2,-0.4 8,-0.1 -0.715 28.9-111.4 -81.3 136.7 32.0 39.6 4.8 40 42 A G - 0 0 0 9,-1.8 8,-1.1 6,-0.4 4,-0.1 -0.537 44.8-106.1 -64.8 128.2 29.3 42.3 5.1 41 43 A P > - 0 0 19 0, 0.0 3,-1.1 0, 0.0 6,-0.3 -0.276 33.2-104.2 -65.1 142.2 29.6 44.4 2.0 42 44 A E T 3 S+ 0 0 124 1,-0.2 4,-0.0 5,-0.1 -3,-0.0 -0.313 105.9 33.2 -60.4 144.6 31.0 48.0 2.3 43 45 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.2 2,-0.0 0, 0.0 0.532 103.8 96.6 83.2 8.7 28.4 50.8 2.2 44 46 A T S X S- 0 0 15 -3,-1.1 3,-1.9 -4,-0.1 -1,-0.3 -0.818 90.2-107.1-122.9 163.2 25.8 48.6 3.9 45 47 A P T 3 S+ 0 0 25 0, 0.0 98,-0.1 0, 0.0 -5,-0.1 0.746 121.0 58.1 -58.0 -23.6 24.6 48.2 7.5 46 48 A F T > S+ 0 0 1 -5,-0.2 3,-2.2 -7,-0.1 -6,-0.4 0.434 76.9 140.2 -86.7 -1.4 26.4 44.9 7.5 47 49 A E T < S+ 0 0 80 -3,-1.9 -5,-0.1 -6,-0.3 3,-0.1 -0.116 70.6 13.7 -48.0 134.2 29.8 46.5 6.6 48 50 A D T 3 S+ 0 0 81 -8,-1.1 -1,-0.3 1,-0.3 2,-0.1 0.349 90.3 139.4 77.2 -1.0 32.8 44.9 8.5 49 51 A G < - 0 0 0 -3,-2.2 -9,-1.8 -8,-0.1 2,-0.4 -0.479 41.6-156.4 -70.5 142.6 30.8 41.9 9.7 50 52 A T E -B 39 0A 9 93,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.750 20.9-170.5-120.7 81.7 32.6 38.5 9.6 51 53 A F E -B 38 0A 0 -13,-2.1 -13,-2.3 -2,-0.4 2,-0.4 -0.559 10.1-149.3 -88.8 133.5 29.8 36.0 9.3 52 54 A K E +B 37 0A 8 -2,-0.3 19,-3.3 -15,-0.2 20,-1.8 -0.824 19.4 175.6-104.0 135.8 30.3 32.3 9.7 53 55 A L E -BC 36 70A 0 -17,-2.7 -17,-2.2 -2,-0.4 2,-0.4 -0.878 22.2-140.5-131.2 164.8 28.1 29.7 7.9 54 56 A V E -BC 35 69A 5 15,-2.3 15,-2.1 -2,-0.3 2,-0.4 -0.984 12.9-159.4-124.9 139.4 27.8 25.9 7.4 55 57 A I E -BC 34 68A 0 -21,-2.7 -21,-2.9 -2,-0.4 2,-0.5 -0.982 3.8-164.6-120.1 130.0 26.9 24.2 4.1 56 58 A E E -BC 33 67A 82 11,-2.4 11,-2.1 -2,-0.4 2,-0.3 -0.965 6.4-166.6-119.7 123.1 25.5 20.6 3.9 57 59 A F - 0 0 17 -25,-2.4 2,-0.2 -2,-0.5 -25,-0.0 -0.729 6.3-148.4-104.9 154.9 25.4 18.7 0.6 58 60 A S > - 0 0 34 -2,-0.3 3,-1.6 6,-0.3 6,-0.1 -0.701 35.3-102.0-110.8 170.9 23.6 15.5 -0.2 59 61 A E T 3 S+ 0 0 77 1,-0.3 -56,-0.4 -2,-0.2 -55,-0.1 0.588 119.4 65.8 -68.2 -9.7 24.5 12.7 -2.7 60 62 A E T >> S+ 0 0 118 -58,-0.1 3,-2.2 2,-0.1 4,-0.6 0.544 82.8 147.2 -89.0 -8.8 21.9 14.3 -5.1 61 63 A Y T <4 + 0 0 2 -3,-1.6 -55,-0.2 1,-0.3 -54,-0.1 -0.451 56.3 31.2 -60.3 138.3 24.0 17.5 -5.5 62 64 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 -0.949 123.1 51.3 -92.5 11.6 24.2 19.2 -7.9 63 65 A N T <4 S+ 0 0 136 -3,-2.2 -2,-0.3 1,-0.1 -3,-0.0 0.715 115.7 46.4 -77.9 -20.9 20.6 18.3 -8.9 64 66 A K S < S- 0 0 102 -4,-0.6 -6,-0.3 -6,-0.1 -1,-0.1 -0.976 93.0-118.3-120.2 134.0 19.5 19.2 -5.4 65 67 A P - 0 0 24 0, 0.0 25,-0.1 0, 0.0 -5,-0.1 -0.358 30.0-116.3 -67.2 150.8 20.5 22.5 -3.7 66 68 A P - 0 0 7 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.361 27.3-108.6 -74.2 165.8 22.5 22.2 -0.4 67 69 A T E -C 56 0A 72 -11,-2.1 -11,-2.4 -2,-0.1 2,-0.4 -0.858 35.5-164.3 -92.7 132.6 21.2 23.6 2.9 68 70 A V E +C 55 0A 11 -2,-0.5 17,-0.8 -13,-0.2 2,-0.4 -0.974 9.7 177.1-121.1 132.8 22.9 26.8 4.0 69 71 A R E -CD 54 84A 81 -15,-2.1 -15,-2.3 -2,-0.4 2,-0.4 -0.999 28.4-127.5-134.1 138.7 22.8 28.2 7.6 70 72 A F E -C 53 0A 4 13,-2.3 -17,-0.3 -2,-0.4 4,-0.1 -0.670 16.8-173.5 -72.6 133.2 24.4 31.2 9.3 71 73 A L + 0 0 26 -19,-3.3 -18,-0.2 -2,-0.4 -1,-0.2 0.773 68.2 78.0 -90.8 -40.8 26.1 30.1 12.5 72 74 A S S S- 0 0 5 -20,-1.8 2,-0.1 1,-0.1 74,-0.1 -0.348 103.8 -91.1 -60.5 148.4 26.8 33.7 13.5 73 75 A K - 0 0 127 69,-0.1 2,-0.3 72,-0.0 -1,-0.1 -0.393 53.1-167.2 -61.1 139.4 23.9 35.6 14.9 74 76 A M - 0 0 26 7,-0.2 2,-0.3 6,-0.1 9,-0.1 -0.948 25.3-166.5-134.7 150.4 22.0 37.4 12.1 75 77 A F + 0 0 23 -2,-0.3 5,-0.1 64,-0.1 67,-0.1 -0.852 40.9 125.8-137.4 99.8 19.3 40.1 11.8 76 78 A H > - 0 0 1 3,-0.4 3,-1.8 -2,-0.3 49,-0.2 -0.981 63.7-119.7-157.4 140.1 17.9 40.2 8.3 77 79 A P T 3 S+ 0 0 2 0, 0.0 44,-2.3 0, 0.0 43,-1.2 0.799 113.2 44.6 -56.3 -31.8 14.3 40.0 6.9 78 80 A N T 3 S+ 0 0 0 42,-0.2 8,-3.0 41,-0.2 2,-0.5 0.198 96.2 88.3 -99.7 14.6 15.1 36.8 4.8 79 81 A V B < -E 85 0B 6 -3,-1.8 -3,-0.4 6,-0.2 6,-0.2 -0.961 69.9-137.5-119.4 121.6 17.0 34.9 7.5 80 82 A Y > - 0 0 124 4,-2.6 3,-1.9 -2,-0.5 41,-0.1 -0.177 30.8-100.6 -69.1 166.7 15.2 32.6 10.0 81 83 A A T 3 S+ 0 0 114 39,-0.3 -7,-0.2 1,-0.3 -1,-0.1 0.830 123.0 54.1 -58.5 -35.2 15.9 32.5 13.7 82 84 A D T 3 S- 0 0 96 -9,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.374 124.8-100.7 -82.8 4.7 17.9 29.3 13.2 83 85 A G S < S+ 0 0 7 -3,-1.9 -13,-2.3 1,-0.3 -2,-0.1 0.341 74.6 144.2 94.7 -6.1 20.1 30.9 10.6 84 86 A S B -D 69 0A 35 -15,-0.2 -4,-2.6 -5,-0.1 2,-0.5 -0.340 42.4-133.5 -66.0 150.2 18.4 29.4 7.5 85 87 A I B -E 79 0B 9 -17,-0.8 2,-1.2 -6,-0.2 -6,-0.2 -0.921 7.6-147.9-118.5 123.2 18.1 31.6 4.5 86 88 A C + 0 0 43 -8,-3.0 2,-0.4 -2,-0.5 34,-0.1 -0.772 43.1 146.8 -84.9 94.7 15.1 32.3 2.2 87 89 A L > - 0 0 18 -2,-1.2 3,-1.7 1,-0.1 4,-0.3 -0.999 49.5-135.1-131.9 129.7 16.8 32.8 -1.1 88 90 A D G > >S+ 0 0 77 -2,-0.4 5,-2.4 1,-0.3 3,-1.9 0.865 102.4 55.2 -54.4 -43.9 15.1 31.7 -4.3 89 91 A I G 3 5S+ 0 0 16 1,-0.3 6,-0.3 4,-0.2 -1,-0.3 0.619 104.4 55.1 -70.0 -13.4 18.1 30.0 -5.9 90 92 A L G < 5S+ 0 0 6 -3,-1.7 -1,-0.3 4,-0.1 -2,-0.2 0.388 123.8 19.8 -93.7 0.5 18.6 27.8 -2.8 91 93 A Q T X 5S- 0 0 127 -3,-1.9 3,-1.4 -4,-0.3 -3,-0.1 0.146 133.4 -3.0-130.2-110.1 15.0 26.6 -3.1 92 94 A N T 3 5S+ 0 0 145 1,-0.3 -3,-0.2 -2,-0.0 -4,-0.1 0.664 130.1 51.6 -71.8 -17.9 12.6 26.6 -6.1 93 95 A R T 3 - 0 0 34 -6,-0.3 3,-1.7 -31,-0.0 -31,-0.1 -0.987 35.4-123.1-139.5 146.3 20.0 25.1 -11.0 96 98 A P T 3 S+ 0 0 61 0, 0.0 -33,-0.1 0, 0.0 -32,-0.1 0.656 105.9 72.8 -65.2 -13.9 22.9 22.7 -11.3 97 99 A T T 3 S+ 0 0 112 2,-0.0 2,-0.2 -35,-0.0 -3,-0.0 0.706 80.5 89.5 -70.8 -20.3 25.1 25.5 -12.8 98 100 A Y < + 0 0 78 -3,-1.7 2,-0.2 -36,-0.2 3,-0.0 -0.514 57.7 175.0 -78.6 147.3 25.3 27.2 -9.4 99 101 A D > - 0 0 10 -2,-0.2 4,-2.5 -89,-0.1 5,-0.2 -0.726 49.1 -76.3-139.7-175.7 28.1 26.2 -7.1 100 102 A V H > S+ 0 0 0 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.918 127.6 51.6 -56.1 -46.1 29.7 27.1 -3.7 101 103 A S H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 114.3 41.3 -56.3 -48.5 31.2 30.3 -5.2 102 104 A S H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.819 112.0 55.4 -73.8 -31.5 28.0 31.6 -6.7 103 105 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.925 110.1 46.3 -63.3 -46.8 25.8 30.6 -3.7 104 106 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.901 113.3 47.5 -65.1 -43.3 28.1 32.6 -1.4 105 107 A T H X S+ 0 0 44 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.839 110.5 53.7 -68.4 -32.3 28.1 35.7 -3.6 106 108 A S H X S+ 0 0 42 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.904 110.5 45.9 -64.4 -43.3 24.3 35.5 -4.0 107 109 A I H X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.902 110.3 54.8 -65.3 -41.6 23.9 35.4 -0.2 108 110 A Q H X S+ 0 0 35 -4,-2.4 4,-0.6 1,-0.2 3,-0.4 0.916 108.9 47.7 -55.6 -46.4 26.4 38.4 0.0 109 111 A S H X S+ 0 0 64 -4,-2.1 4,-0.7 1,-0.2 3,-0.4 0.825 105.5 59.7 -65.2 -33.0 24.2 40.3 -2.4 110 112 A L H >< S+ 0 0 20 -4,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.829 90.4 71.7 -64.4 -32.0 21.1 39.5 -0.5 111 113 A L H 3< S+ 0 0 4 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.893 111.3 27.0 -53.5 -46.6 22.5 41.2 2.7 112 114 A D H 3< S+ 0 0 80 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.445 123.5 55.0 -96.2 -0.6 22.1 44.7 1.2 113 115 A E S << S- 0 0 132 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.1 -0.539 75.6-177.5-128.6 67.2 19.1 43.8 -1.1 114 116 A P - 0 0 13 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.321 27.1-126.3 -68.4 148.3 16.4 42.2 1.1 115 117 A N > - 0 0 78 3,-0.2 3,-1.3 1,-0.1 -2,-0.0 -0.850 17.0-162.3 -93.4 112.2 13.2 40.8 -0.3 116 118 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 13,-0.1 0.745 83.7 61.8 -70.6 -21.7 10.3 42.5 1.5 117 119 A N T 3 S+ 0 0 144 1,-0.2 -2,-0.0 2,-0.0 8,-0.0 0.259 96.6 61.7 -89.3 11.6 7.7 39.9 0.4 118 120 A S < - 0 0 41 -3,-1.3 2,-2.0 3,-0.1 3,-0.2 -0.561 68.4-176.6-132.7 70.5 9.5 37.0 2.2 119 121 A P + 0 0 76 0, 0.0 3,-0.3 0, 0.0 -41,-0.2 -0.434 19.6 156.0 -79.3 76.5 9.5 37.9 5.9 120 122 A A S S+ 0 0 21 -2,-2.0 2,-0.6 -43,-1.2 -39,-0.3 0.865 83.7 35.7 -63.1 -39.6 11.5 35.0 7.5 121 123 A N S > S- 0 0 33 -44,-2.3 4,-2.3 -3,-0.2 -1,-0.3 -0.920 79.8-167.4-113.6 101.5 12.3 37.4 10.3 122 124 A S H > S+ 0 0 85 -2,-0.6 4,-1.6 -3,-0.3 -1,-0.1 0.785 84.0 50.4 -65.0 -31.0 9.2 39.5 10.7 123 125 A Q H > S+ 0 0 126 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.882 111.4 47.5 -73.2 -40.5 10.8 42.2 13.0 124 126 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.888 112.4 51.3 -65.8 -38.8 13.7 42.7 10.7 125 127 A A H X S+ 0 0 5 -4,-2.3 4,-1.2 -48,-0.2 -2,-0.2 0.861 112.4 46.1 -64.4 -37.5 11.2 43.0 7.8 126 128 A Q H X S+ 0 0 79 -4,-1.6 4,-3.1 2,-0.2 5,-0.4 0.916 114.3 45.7 -72.6 -47.4 9.1 45.6 9.6 127 129 A L H < S+ 0 0 25 -4,-2.5 8,-0.3 1,-0.2 -2,-0.2 0.906 109.7 55.5 -64.3 -41.8 12.1 47.7 10.8 128 130 A Y H < S+ 0 0 66 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.875 116.9 36.9 -56.2 -39.7 13.6 47.6 7.3 129 131 A Q H < S+ 0 0 121 -4,-1.2 -2,-0.2 -5,-0.2 3,-0.2 0.898 132.5 22.7 -79.7 -44.2 10.4 49.0 5.8 130 132 A E S < S+ 0 0 147 -4,-3.1 2,-1.0 1,-0.2 -3,-0.2 0.951 129.5 23.8 -90.7 -67.5 9.4 51.4 8.6 131 133 A N > + 0 0 58 -5,-0.4 4,-1.5 1,-0.2 3,-0.4 -0.692 54.2 169.6-110.3 88.8 12.3 52.5 10.6 132 134 A K H > S+ 0 0 107 -2,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.764 78.8 63.6 -68.4 -25.3 15.5 52.1 8.8 133 135 A R H > S+ 0 0 214 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.925 108.1 40.9 -62.2 -46.7 17.3 54.1 11.5 134 136 A E H > S+ 0 0 65 -3,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.694 108.6 62.5 -75.4 -22.0 16.5 51.3 14.0 135 137 A Y H X S+ 0 0 7 -4,-1.5 4,-1.9 -8,-0.3 -2,-0.2 0.927 103.6 47.4 -66.9 -45.9 17.3 48.6 11.4 136 138 A E H X S+ 0 0 103 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.826 109.9 53.7 -65.7 -32.6 20.9 49.7 11.1 137 139 A K H X S+ 0 0 147 -4,-1.0 4,-1.2 2,-0.2 -1,-0.2 0.890 109.8 46.6 -68.7 -41.1 21.3 49.8 15.0 138 140 A R H X S+ 0 0 123 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.853 113.4 49.2 -69.1 -35.1 20.0 46.2 15.4 139 141 A V H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.830 103.6 61.6 -71.6 -32.5 22.3 45.1 12.5 140 142 A S H X S+ 0 0 58 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.886 99.6 55.0 -59.9 -41.1 25.3 46.9 14.1 141 143 A A H X S+ 0 0 37 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.928 108.9 46.0 -59.4 -48.0 25.1 44.8 17.3 142 144 A I H X S+ 0 0 5 -4,-1.1 4,-1.0 2,-0.2 -1,-0.2 0.728 108.0 58.4 -72.4 -20.7 25.3 41.5 15.3 143 145 A V H < S+ 0 0 11 -4,-1.4 3,-0.4 2,-0.2 -93,-0.4 0.948 109.2 44.2 -65.4 -51.5 28.2 43.0 13.3 144 146 A E H >< S+ 0 0 126 -4,-2.1 3,-1.6 1,-0.2 4,-0.5 0.909 111.1 54.7 -55.6 -47.1 30.2 43.5 16.5 145 147 A Q H >< S+ 0 0 98 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.776 96.5 66.3 -61.2 -28.5 29.2 40.0 17.8 146 148 A S T 3< S+ 0 0 1 -4,-1.0 3,-0.5 -3,-0.4 -1,-0.3 0.576 91.4 65.1 -71.7 -9.7 30.6 38.3 14.6 147 149 A W T < S+ 0 0 144 -3,-1.6 -1,-0.2 -4,-0.3 3,-0.2 0.801 109.3 32.3 -84.4 -33.3 34.2 39.4 15.6 148 150 A N S < S+ 0 0 148 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 -0.323 86.6 124.3-115.7 49.3 34.6 37.3 18.8 149 151 A D 0 0 30 -3,-0.5 -1,-0.1 -99,-0.1 6,-0.1 0.713 360.0 360.0 -90.8 -28.4 32.4 34.5 17.5 150 152 A S 0 0 40 -3,-0.2 5,-0.1 4,-0.1 -1,-0.0 -0.759 360.0 360.0 -87.4 360.0 34.6 31.4 17.8 151 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 152 341 B K > 0 0 219 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -76.0 30.0 24.6 20.1 153 342 B Y H > + 0 0 52 2,-0.2 4,-1.6 1,-0.1 -3,-0.0 0.942 360.0 47.0 -75.2 -49.7 30.6 24.1 16.3 154 343 B R H 4 S+ 0 0 72 1,-0.2 7,-0.2 2,-0.2 -1,-0.1 0.885 114.1 49.0 -58.1 -41.9 32.3 27.5 15.7 155 344 B K H >4 S+ 0 0 157 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.914 109.6 50.1 -66.6 -45.0 34.5 27.0 18.8 156 345 B K H 3< S+ 0 0 157 -4,-1.5 3,-0.2 1,-0.3 -1,-0.2 0.791 116.5 42.9 -64.9 -28.5 35.6 23.5 17.8 157 346 B H T 3X S+ 0 0 11 -4,-1.6 4,-2.6 1,-0.2 -1,-0.3 -0.098 76.2 128.8-107.8 34.5 36.5 24.7 14.3 158 347 B K H <> S+ 0 0 122 -3,-1.4 4,-2.1 1,-0.2 5,-0.2 0.919 73.9 46.4 -57.1 -50.8 38.2 27.9 15.4 159 348 B S H > S+ 0 0 92 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 112.7 50.8 -58.9 -44.0 41.4 27.4 13.4 160 349 B E H > S+ 0 0 57 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.906 111.3 47.0 -64.2 -42.4 39.4 26.4 10.3 161 350 B F H X S+ 0 0 2 -4,-2.6 4,-2.5 -7,-0.2 -1,-0.2 0.852 107.8 56.1 -68.8 -34.9 37.2 29.5 10.4 162 351 B Q H X S+ 0 0 94 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.879 105.2 52.0 -66.0 -38.3 40.1 31.9 11.0 163 352 B L H X S+ 0 0 119 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.902 112.7 46.8 -58.8 -41.0 41.8 30.6 7.8 164 353 B L H X S+ 0 0 15 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.853 109.0 53.1 -71.3 -37.7 38.4 31.4 6.0 165 354 B V H X S+ 0 0 8 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.932 109.4 49.6 -61.5 -45.4 38.1 34.8 7.6 166 355 B D H X S+ 0 0 76 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.882 111.1 49.4 -60.5 -41.3 41.7 35.7 6.4 167 356 B Q H < S+ 0 0 80 -4,-1.7 3,-0.3 1,-0.2 -146,-0.3 0.888 112.5 47.2 -65.9 -39.5 40.8 34.5 2.8 168 357 B A H < S+ 0 0 0 -4,-2.1 -147,-0.4 1,-0.2 -1,-0.2 0.746 104.0 62.9 -74.1 -25.3 37.6 36.6 2.8 169 358 B R H >< S+ 0 0 116 -4,-1.7 3,-2.3 -5,-0.2 -1,-0.2 0.802 76.4 108.3 -68.8 -32.5 39.3 39.7 4.1 170 359 B K T 3< S+ 0 0 150 -4,-1.0 -149,-0.7 -3,-0.3 -3,-0.0 -0.211 92.0 4.3 -51.6 129.5 41.6 40.0 1.0 171 360 B G T 3 0 0 78 1,-0.2 -1,-0.3 -151,-0.1 -2,-0.1 0.518 360.0 360.0 73.7 6.8 40.7 43.0 -1.2 172 361 B Y < 0 0 85 -3,-2.3 -1,-0.2 -131,-0.0 -3,-0.0 -0.632 360.0 360.0 -79.0 360.0 38.0 44.1 1.3