==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-APR-05 1ZDN . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2S; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.WALKER,G.V.AVVAKUMOV,S.XUE,E.M.NEWMAN,F.MACKENZIE,M.SUND . 298 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 68.1 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 . 45 15.1 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 19 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 0 0 2 1 2 1 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 . 4 0 0 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A E 0 0 140 0, 0.0 7,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-127.0 55.8 35.2 -3.5 2 7 A N + 0 0 138 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.467 360.0 84.5 -78.3 -4.4 56.0 31.6 -2.2 3 8 A L S S- 0 0 8 1,-0.1 61,-0.1 61,-0.0 5,-0.0 -0.833 95.7-105.4 -95.2 138.1 57.5 33.4 0.8 4 9 A P >> - 0 0 57 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.276 30.6-113.3 -57.0 145.5 55.1 34.8 3.5 5 10 A P H 3> S+ 0 0 95 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.825 117.9 54.6 -53.6 -32.8 54.7 38.7 3.4 6 11 A H H 3> S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.841 106.4 50.6 -73.8 -30.7 56.4 38.9 6.8 7 12 A I H <> S+ 0 0 15 -3,-0.8 4,-2.9 2,-0.2 5,-0.2 0.917 108.7 52.6 -68.3 -43.3 59.4 36.9 5.6 8 13 A I H X S+ 0 0 48 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.953 111.9 45.6 -52.8 -52.2 59.7 39.3 2.6 9 14 A R H X S+ 0 0 132 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.931 114.2 48.0 -56.2 -48.7 59.7 42.3 4.9 10 15 A L H X S+ 0 0 101 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.886 113.1 47.6 -67.3 -38.9 62.2 40.7 7.2 11 16 A V H X S+ 0 0 4 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.954 111.9 49.5 -63.4 -50.3 64.6 39.6 4.5 12 17 A Y H X S+ 0 0 151 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.875 114.0 45.5 -58.4 -43.9 64.5 43.0 2.7 13 18 A K H X S+ 0 0 122 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.899 113.2 49.7 -65.0 -44.1 65.2 44.9 6.0 14 19 A E H X S+ 0 0 46 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.928 110.1 50.1 -67.4 -41.2 68.0 42.4 6.9 15 20 A V H X S+ 0 0 14 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.913 109.5 52.4 -55.8 -44.4 69.6 42.8 3.5 16 21 A T H X S+ 0 0 69 -4,-2.1 4,-1.7 -5,-0.2 3,-0.3 0.942 109.3 49.3 -57.1 -45.6 69.5 46.6 3.9 17 22 A T H X S+ 0 0 70 -4,-2.3 4,-3.2 1,-0.3 -1,-0.2 0.884 109.7 52.1 -63.9 -35.0 71.2 46.4 7.3 18 23 A L H < S+ 0 0 0 -4,-2.3 10,-0.3 2,-0.2 -1,-0.3 0.780 105.8 54.1 -69.0 -30.0 73.8 44.1 5.7 19 24 A T H < S+ 0 0 73 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.873 120.0 33.3 -68.3 -36.6 74.5 46.7 3.0 20 25 A A H < S+ 0 0 82 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.869 135.8 17.3 -87.2 -40.8 75.1 49.4 5.6 21 26 A D S < S+ 0 0 101 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 -0.533 76.7 167.7-138.4 63.7 76.7 47.5 8.5 22 27 A P - 0 0 39 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.347 46.8 -86.3 -77.2 162.9 78.0 44.0 7.3 23 28 A P > - 0 0 18 0, 0.0 3,-1.9 0, 0.0 0, 0.0 -0.275 64.1 -80.3 -55.0 153.2 80.4 41.8 9.4 24 29 A D T 3 S+ 0 0 132 1,-0.2 3,-0.1 -3,-0.1 19,-0.0 -0.314 120.6 20.7 -55.0 138.8 84.1 42.7 9.0 25 30 A G T 3 S+ 0 0 11 1,-0.2 18,-2.7 -3,-0.1 2,-0.4 0.303 106.5 104.2 85.0 -9.0 85.5 41.2 5.7 26 31 A I E < +A 42 0A 3 -3,-1.9 2,-0.3 16,-0.2 16,-0.2 -0.890 42.3 177.4-113.6 135.9 82.0 40.8 4.3 27 32 A K E -A 41 0A 85 14,-2.1 14,-2.6 -2,-0.4 2,-0.3 -0.991 13.7-151.4-131.1 143.9 80.2 42.8 1.5 28 33 A V E -A 40 0A 15 -2,-0.3 12,-0.2 -10,-0.3 10,-0.0 -0.898 6.8-166.6-119.7 147.0 76.7 42.3 0.0 29 34 A F E -A 39 0A 107 10,-2.8 10,-0.9 -2,-0.3 -2,-0.0 -0.753 19.8-153.3-135.2 75.6 75.5 43.2 -3.4 30 35 A P E -A 38 0A 61 0, 0.0 2,-0.6 0, 0.0 8,-0.1 -0.242 9.6-133.2 -62.4 144.0 71.8 42.9 -3.5 31 36 A N - 0 0 68 6,-0.6 6,-0.2 3,-0.4 -2,-0.0 -0.903 8.3-152.0 -94.3 118.4 69.9 42.2 -6.8 32 37 A E S S+ 0 0 190 -2,-0.6 3,-0.2 1,-0.2 -1,-0.1 0.744 93.2 45.7 -65.1 -26.0 67.0 44.6 -7.2 33 38 A E S S+ 0 0 186 1,-0.2 2,-0.6 2,-0.0 -1,-0.2 0.827 114.5 41.1 -89.3 -35.8 65.0 42.0 -9.3 34 39 A D > - 0 0 61 3,-0.2 3,-1.6 1,-0.1 -3,-0.4 -0.851 56.2-177.4-121.1 97.9 65.5 38.8 -7.3 35 40 A L T 3 S+ 0 0 42 -2,-0.6 -1,-0.1 1,-0.3 -3,-0.0 0.728 83.4 60.9 -55.2 -27.0 65.2 39.2 -3.6 36 41 A T T 3 S+ 0 0 28 1,-0.1 25,-2.6 24,-0.1 2,-0.5 0.465 93.9 66.0 -87.7 -1.6 66.0 35.5 -3.2 37 42 A D E < - B 0 60A 26 -3,-1.6 -6,-0.6 23,-0.2 2,-0.5 -0.967 64.7-177.7-126.8 110.2 69.5 35.5 -4.8 38 43 A L E -AB 30 59A 8 21,-2.4 21,-2.1 -2,-0.5 2,-0.3 -0.952 15.2-149.8-120.0 118.2 72.1 37.5 -2.9 39 44 A Q E +AB 29 58A 64 -10,-0.9 -10,-2.8 -2,-0.5 2,-0.3 -0.685 24.3 174.9 -85.6 139.1 75.7 38.0 -4.1 40 45 A V E -AB 28 57A 0 17,-2.6 17,-2.4 -2,-0.3 2,-0.4 -0.943 22.3-149.4-140.1 149.2 78.3 38.4 -1.4 41 46 A T E -AB 27 56A 15 -14,-2.6 -14,-2.1 -2,-0.3 2,-0.4 -0.983 10.4-166.6-119.6 143.0 82.1 38.7 -1.1 42 47 A I E -AB 26 55A 0 13,-2.3 13,-3.1 -2,-0.4 2,-0.3 -0.997 19.9-130.8-124.8 126.2 84.1 37.4 1.9 43 48 A E E - B 0 54A 90 -18,-2.7 11,-0.2 -2,-0.4 8,-0.1 -0.609 30.7-112.7 -70.7 129.2 87.8 38.4 2.5 44 49 A G - 0 0 7 9,-3.4 8,-1.3 -2,-0.3 4,-0.1 -0.531 44.2-113.0 -59.6 121.9 90.0 35.4 3.1 45 50 A P > - 0 0 12 0, 0.0 3,-0.7 0, 0.0 5,-0.2 -0.276 24.6-109.4 -62.8 146.9 91.0 35.9 6.8 46 51 A E T 3 S+ 0 0 86 1,-0.2 4,-0.1 5,-0.1 -3,-0.0 -0.314 105.0 39.3 -61.9 151.6 94.5 36.7 7.7 47 52 A G T 3 S+ 0 0 11 1,-0.3 -1,-0.2 198,-0.1 199,-0.0 0.789 103.0 88.7 77.1 21.5 96.2 33.7 9.5 48 53 A T S X S- 0 0 8 -3,-0.7 3,-1.8 -4,-0.1 -1,-0.3 -0.936 93.2-105.1-140.2 163.2 94.5 31.2 7.2 49 54 A P T 3 S+ 0 0 5 0, 0.0 98,-0.2 0, 0.0 67,-0.1 0.641 119.6 61.4 -65.5 -10.6 95.4 29.6 3.9 50 55 A Y T > S+ 0 0 0 -5,-0.2 3,-1.9 65,-0.2 -6,-0.3 0.331 74.9 142.0 -93.4 5.4 92.8 31.9 2.3 51 56 A A T < + 0 0 50 -3,-1.8 -5,-0.1 1,-0.2 3,-0.1 -0.184 68.7 13.4 -54.2 127.7 94.6 35.1 3.4 52 57 A G T 3 S+ 0 0 79 -8,-1.3 -1,-0.2 1,-0.3 2,-0.1 0.181 98.3 118.9 95.0 -14.9 94.5 37.9 0.8 53 58 A G < - 0 0 5 -3,-1.9 -9,-3.4 -8,-0.1 2,-0.5 -0.470 55.9-144.2 -79.3 150.4 91.8 36.3 -1.4 54 59 A L E -B 43 0A 72 97,-2.1 2,-0.7 -11,-0.2 -11,-0.2 -0.992 19.0-154.7-112.4 118.5 88.4 37.8 -2.1 55 60 A F E -B 42 0A 0 -13,-3.1 -13,-2.3 -2,-0.5 2,-0.3 -0.860 2.0-154.4-104.5 113.2 85.8 35.1 -2.3 56 61 A R E +B 41 0A 124 -2,-0.7 19,-2.2 -15,-0.2 20,-2.2 -0.611 27.5 159.0 -78.5 140.9 82.7 35.7 -4.3 57 62 A M E -BC 40 74A 0 -17,-2.4 -17,-2.6 17,-0.3 2,-0.4 -0.962 25.0-144.0-153.5 166.0 79.7 33.6 -3.2 58 63 A K E -BC 39 73A 55 15,-2.6 15,-2.6 -2,-0.3 2,-0.4 -0.994 3.4-147.8-141.7 154.6 75.9 33.6 -3.4 59 64 A L E -BC 38 72A 1 -21,-2.1 -21,-2.4 -2,-0.4 2,-0.5 -0.952 8.8-159.2-115.2 135.8 73.0 32.6 -1.2 60 65 A L E -BC 37 71A 51 11,-3.1 11,-3.1 -2,-0.4 2,-1.0 -0.984 14.8-140.8-117.3 124.0 69.8 31.3 -2.6 61 66 A L - 0 0 13 -25,-2.6 -25,-0.0 -2,-0.5 -2,-0.0 -0.750 35.7-163.6 -85.0 105.2 66.8 31.6 -0.4 62 67 A G > - 0 0 30 -2,-1.0 3,-0.9 7,-0.2 -1,-0.1 0.235 35.0 -65.4 -80.1-163.3 65.1 28.2 -1.1 63 68 A K T 3 S+ 0 0 185 1,-0.2 2,-0.3 3,-0.0 -2,-0.0 0.956 127.7 33.7 -41.2 -61.6 61.7 26.6 -0.6 64 69 A D T 3> S+ 0 0 94 5,-0.1 4,-3.4 2,-0.1 -1,-0.2 -0.237 83.3 173.3-112.4 43.9 61.8 26.6 3.2 65 70 A F T <4 S+ 0 0 11 -3,-0.9 -58,-0.1 1,-0.3 35,-0.0 -0.795 71.4 17.0 -86.6 135.0 63.7 29.7 4.3 66 71 A P T 4 S+ 0 0 25 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 -0.949 120.7 63.5 -93.1 15.1 63.9 30.5 7.2 67 72 A A T 4 S+ 0 0 68 -3,-0.2 -2,-0.3 33,-0.1 33,-0.1 0.896 120.7 25.0 -60.8 -37.2 62.8 27.0 8.3 68 73 A S S < S- 0 0 28 -4,-3.4 -6,-0.1 32,-0.1 3,-0.1 -0.899 101.8 -95.3-120.2 152.3 66.0 25.8 6.7 69 74 A P - 0 0 11 0, 0.0 -7,-0.2 0, 0.0 -5,-0.1 -0.198 49.1 -93.5 -55.4 156.1 69.3 27.8 6.0 70 75 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.301 44.6-103.1 -58.1 155.7 69.7 29.5 2.6 71 76 A K E -C 60 0A 106 -11,-3.1 -11,-3.1 -3,-0.1 2,-0.4 -0.719 42.8-156.1 -80.5 137.6 71.6 27.4 0.0 72 77 A G E -C 59 0A 5 17,-0.4 17,-2.4 -2,-0.4 2,-0.4 -0.937 15.1-179.7-120.4 139.4 75.2 28.7 -0.3 73 78 A Y E -CD 58 88A 81 -15,-2.6 -15,-2.6 -2,-0.4 2,-0.5 -0.990 25.1-134.7-134.9 136.6 77.8 28.5 -3.1 74 79 A F E -C 57 0A 11 13,-2.9 -17,-0.3 -2,-0.4 4,-0.1 -0.750 16.2-175.2 -75.8 126.0 81.3 29.7 -3.5 75 80 A L S S+ 0 0 53 -19,-2.2 2,-0.5 -2,-0.5 -18,-0.2 0.752 71.4 75.5 -87.8 -34.7 81.6 31.3 -7.0 76 81 A T S S- 0 0 4 -20,-2.2 75,-0.1 -3,-0.1 -21,-0.0 -0.693 99.7-111.5 -74.1 128.4 85.3 31.8 -6.4 77 82 A K + 0 0 138 -2,-0.5 2,-0.3 73,-0.1 73,-0.1 -0.301 47.6 174.4 -61.5 140.3 87.1 28.4 -6.8 78 83 A I - 0 0 20 -4,-0.1 2,-0.7 2,-0.1 9,-0.1 -0.992 37.4-135.2-151.3 150.5 88.4 27.1 -3.4 79 84 A F + 0 0 12 -2,-0.3 68,-0.1 64,-0.2 3,-0.0 -0.918 52.9 139.0-111.0 97.8 90.1 24.0 -1.9 80 85 A H > - 0 0 1 -2,-0.7 3,-2.0 3,-0.4 48,-0.2 -0.985 59.1-126.3-145.8 135.5 88.2 23.6 1.3 81 86 A P T 3 S+ 0 0 0 0, 0.0 44,-2.8 0, 0.0 43,-2.5 0.771 109.1 46.2 -48.4 -37.0 86.9 20.4 3.1 82 87 A N T 3 S+ 0 0 0 41,-0.2 8,-2.8 42,-0.2 2,-0.5 0.313 94.1 85.0 -97.4 7.7 83.3 21.7 3.2 83 88 A V B < -E 89 0B 3 -3,-2.0 -3,-0.4 6,-0.2 6,-0.2 -0.955 68.9-146.1-115.7 123.7 82.9 23.1 -0.3 84 89 A G > - 0 0 12 4,-2.6 3,-1.5 -2,-0.5 41,-0.1 0.029 34.2 -83.5 -81.1-170.2 81.8 20.5 -3.0 85 90 A A T 3 S+ 0 0 104 1,-0.3 -1,-0.1 39,-0.2 40,-0.0 0.738 128.6 44.9 -74.0 -24.4 82.7 20.2 -6.6 86 91 A N T 3 S- 0 0 132 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.192 124.7 -98.7 -98.1 13.7 80.0 22.7 -7.8 87 92 A G S < S+ 0 0 12 -3,-1.5 -13,-2.9 1,-0.3 -2,-0.1 0.461 71.3 155.8 81.5 5.5 81.0 25.2 -5.1 88 93 A E B -D 73 0A 57 -15,-0.2 -4,-2.6 -5,-0.1 2,-0.5 -0.381 41.1-132.1 -65.4 140.1 78.1 24.1 -2.7 89 94 A I B -E 83 0B 4 -17,-2.4 -17,-0.4 -6,-0.2 -6,-0.2 -0.825 40.5 -90.5 -95.2 127.2 78.7 24.8 1.0 90 95 A C > - 0 0 8 -8,-2.8 4,-1.8 -2,-0.5 3,-0.2 -0.090 32.9-153.9 -42.8 117.8 77.9 21.7 3.1 91 96 A V H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.898 91.3 60.6 -63.0 -41.1 74.2 21.9 4.2 92 97 A N H 4 S+ 0 0 114 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.865 106.1 45.8 -58.7 -39.7 74.8 19.8 7.3 93 98 A V H >4 S+ 0 0 3 -3,-0.2 3,-1.8 1,-0.2 -1,-0.2 0.960 112.5 50.6 -66.5 -48.1 77.4 22.4 8.7 94 99 A L H 3< S+ 0 0 5 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.819 107.3 56.7 -60.6 -27.3 75.0 25.4 7.9 95 100 A K T >< S+ 0 0 103 -4,-2.1 3,-2.4 -5,-0.1 -1,-0.3 0.586 74.6 121.3 -81.2 -10.0 72.2 23.5 9.6 96 101 A R T < S- 0 0 35 -3,-1.8 -3,-0.0 -4,-0.4 -4,-0.0 -0.388 96.7 -11.1 -63.3 121.5 74.0 23.1 13.0 97 102 A D T 3 S+ 0 0 38 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.640 97.7 163.6 60.7 18.1 71.9 24.9 15.6 98 103 A W < + 0 0 30 -3,-2.4 2,-0.3 2,-0.0 -1,-0.2 -0.495 8.4 166.9 -67.0 132.9 69.7 26.4 12.8 99 104 A T > - 0 0 61 -2,-0.2 3,-2.2 4,-0.0 -31,-0.1 -0.952 49.1-105.7-137.0 162.8 66.3 27.8 13.8 100 105 A A T 3 S+ 0 0 55 -2,-0.3 -33,-0.1 1,-0.3 -32,-0.1 0.563 113.1 69.8 -67.9 -8.7 63.9 30.0 11.8 101 106 A E T 3 S+ 0 0 171 -34,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.551 84.9 89.3 -82.3 -6.3 64.8 33.1 14.0 102 107 A L < + 0 0 12 -3,-2.2 2,-0.2 -36,-0.2 -4,-0.0 -0.521 59.0 178.0 -85.4 158.2 68.3 33.1 12.3 103 108 A G > - 0 0 9 -2,-0.2 4,-1.6 -38,-0.0 3,-0.1 -0.549 45.4 -56.9-140.5-158.5 68.8 35.0 9.1 104 109 A I H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.884 121.8 60.3 -62.4 -42.1 71.3 36.0 6.5 105 110 A R H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 106.9 46.3 -56.0 -47.1 73.8 37.7 8.9 106 111 A H H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 110.9 53.1 -61.6 -40.8 74.3 34.4 10.8 107 112 A V H X S+ 0 0 2 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.932 110.8 46.2 -61.8 -43.5 74.7 32.4 7.6 108 113 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.884 112.7 49.2 -69.7 -37.1 77.5 34.8 6.3 109 114 A L H X S+ 0 0 25 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.902 109.7 53.2 -65.1 -40.1 79.3 34.8 9.7 110 115 A T H X S+ 0 0 5 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.917 112.0 45.0 -63.4 -41.0 79.2 31.0 9.7 111 116 A I H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.932 112.6 49.6 -68.0 -50.1 80.7 30.9 6.2 112 117 A K H >X S+ 0 0 12 -4,-2.7 3,-1.2 1,-0.2 4,-0.8 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124.3 88.2 30.8 29.0 223 80 B L S S+ 0 0 78 -19,-2.9 2,-0.3 -2,-0.5 -18,-0.2 0.800 72.6 73.8 -84.0 -36.4 87.4 32.2 32.4 224 81 B T S S- 0 0 10 -20,-2.1 75,-0.1 -3,-0.1 -21,-0.1 -0.620 100.0-110.2 -70.2 133.8 83.7 31.4 31.8 225 82 B K + 0 0 129 -2,-0.3 2,-0.3 73,-0.1 73,-0.1 -0.364 47.4 176.3 -64.3 144.6 83.1 27.7 32.1 226 83 B I - 0 0 22 -4,-0.1 2,-0.7 2,-0.1 9,-0.1 -0.994 37.4-135.4-152.1 148.6 82.3 26.2 28.7 227 84 B F + 0 0 17 -2,-0.3 68,-0.1 64,-0.2 64,-0.1 -0.927 53.0 140.1-106.0 99.7 81.7 22.8 27.1 228 85 B H > - 0 0 0 -2,-0.7 3,-2.0 3,-0.4 45,-0.2 -0.981 57.9-127.6-146.2 134.1 83.8 23.0 24.0 229 86 B P T 3 S+ 0 0 0 0, 0.0 44,-2.7 0, 0.0 43,-2.0 0.799 109.5 45.4 -48.1 -37.2 86.0 20.4 22.2 230 87 B N T 3 S+ 0 0 0 41,-0.3 8,-3.1 42,-0.2 2,-0.5 0.175 95.5 86.1-100.5 19.4 89.0 22.7 22.1 231 88 B V B < -J 237 0D 4 -3,-2.0 -3,-0.4 6,-0.2 6,-0.2 -0.987 68.5-144.7-123.3 117.3 88.9 24.0 25.7 232 89 B G > - 0 0 10 4,-2.5 3,-2.0 -2,-0.5 41,-0.1 -0.052 34.7 -87.9 -70.8 178.9 90.6 21.9 28.5 233 90 B A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 39,-0.2 40,-0.0 0.790 129.5 47.4 -61.7 -29.2 89.6 21.2 32.1 234 91 B N T 3 S- 0 0 134 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.314 124.1-101.5 -95.7 10.9 91.4 24.4 33.2 235 92 B G < + 0 0 10 -3,-2.0 -13,-2.4 1,-0.3 -2,-0.1 0.428 68.7 156.5 83.3 0.6 89.9 26.6 30.4 236 93 B E B -I 221 0C 67 -15,-0.2 -4,-2.5 -5,-0.1 2,-0.5 -0.357 41.1-133.4 -59.6 133.6 93.1 26.4 28.3 237 94 B I B -J 231 0D 10 -17,-2.6 -17,-0.4 -6,-0.2 -6,-0.2 -0.790 39.5 -91.2 -90.2 130.4 92.3 27.0 24.6 238 95 B C >> - 0 0 5 -8,-3.1 3,-1.8 -2,-0.5 4,-0.6 -0.157 30.6-135.5 -48.2 129.6 94.0 24.4 22.5 239 96 B V H >> S+ 0 0 73 1,-0.3 4,-1.7 2,-0.2 3,-0.6 0.842 102.8 60.1 -53.2 -39.5 97.5 25.6 21.4 240 97 B N H 3> S+ 0 0 68 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.631 90.6 73.9 -66.6 -12.6 97.0 24.4 17.8 241 98 B V H <4 S+ 0 0 8 -3,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.944 109.8 23.9 -66.5 -51.6 94.0 26.7 17.5 242 99 B L H << S+ 0 0 8 -3,-0.6 -2,-0.2 -4,-0.6 -1,-0.2 0.747 120.0 59.8 -89.6 -24.1 95.9 30.0 17.3 243 100 B K H >< S+ 0 0 112 -4,-1.7 3,-2.2 2,-0.1 2,-0.3 0.750 73.5 104.9 -83.0 -18.2 99.1 28.5 16.0 244 101 B R T 3< S- 0 0 78 -4,-1.3 -4,-0.0 1,-0.3 0, 0.0 -0.477 108.5 -8.8 -59.6 120.8 97.8 27.0 12.8 245 102 B D T 3 S+ 0 0 42 -2,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.617 98.2 162.5 70.3 14.9 99.0 29.4 10.1 246 103 B W < + 0 0 30 -3,-2.2 2,-0.3 2,-0.0 -1,-0.2 -0.444 11.7 176.0 -68.4 136.1 100.2 31.8 12.8 247 104 B T > - 0 0 65 -2,-0.1 3,-2.0 -31,-0.0 -31,-0.1 -0.963 42.1-111.0-132.6 161.2 102.7 34.5 11.7 248 105 B A T 3 S+ 0 0 55 -2,-0.3 -32,-0.1 1,-0.3 -33,-0.1 0.470 110.6 71.2 -70.8 -1.4 104.2 37.4 13.6 249 106 B E T 3 S+ 0 0 149 -34,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.627 84.2 94.0 -80.2 -12.6 102.3 40.0 11.6 250 107 B L < + 0 0 3 -3,-2.0 2,-0.2 -36,-0.2 -4,-0.0 -0.489 56.8 180.0 -85.0 154.1 99.1 38.7 13.4 251 108 B G > - 0 0 9 -2,-0.2 4,-1.9 -38,-0.0 5,-0.1 -0.444 45.6 -63.5-137.2-161.9 97.8 40.4 16.6 252 109 B I H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.885 124.5 58.0 -67.5 -38.2 95.2 40.4 19.3 253 110 B R H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.930 108.7 45.8 -60.9 -43.9 92.4 41.2 16.8 254 111 B H H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.908 110.8 53.5 -62.6 -41.5 93.2 38.1 14.9 255 112 B V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.934 112.3 44.7 -56.3 -47.3 93.5 36.0 18.1 256 113 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.888 112.6 50.1 -68.6 -41.4 90.0 37.2 19.2 257 114 B L H X S+ 0 0 31 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.905 110.8 51.2 -59.5 -45.1 88.4 36.7 15.7 258 115 B T H X S+ 0 0 4 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.915 112.4 44.8 -58.8 -46.5 89.9 33.1 15.7 259 116 B I H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.928 112.9 50.6 -67.6 -45.4 88.4 32.3 19.1 260 117 B K H >X S+ 0 0 19 -4,-2.6 4,-0.9 1,-0.2 3,-0.8 0.945 112.1 48.0 -52.6 -49.0 85.0 33.8 18.3 261 118 B a H 3X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.3 3,-0.4 0.805 104.1 61.8 -64.1 -30.6 85.0 31.7 15.1 262 119 B L H 3< S+ 0 0 1 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.767 96.0 60.1 -67.3 -29.2 86.0 28.7 17.1 263 120 B L H << S+ 0 0 1 -4,-1.3 -1,-0.2 -3,-0.8 -65,-0.2 0.830 111.4 39.8 -63.5 -35.1 82.7 29.0 19.1 264 121 B I H < S+ 0 0 11 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.895 131.0 25.7 -75.1 -45.1 80.9 28.6 15.7 265 122 B H S < S- 0 0 3 -4,-2.6 -1,-0.2 -152,-0.1 -2,-0.1 -0.776 73.7-169.9-127.8 87.9 83.2 25.8 14.4 266 123 B P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.223 21.6-132.1 -63.1 163.7 85.1 23.7 16.9 267 124 B N > - 0 0 10 1,-0.1 3,-2.4 3,-0.1 10,-0.1 -0.779 21.2-176.6-119.9 82.8 87.8 21.3 15.7 268 125 B P G > S+ 0 0 8 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.706 77.0 72.3 -60.4 -17.8 87.1 18.0 17.3 269 126 B E G 3 S+ 0 0 67 1,-0.3 8,-0.0 -3,-0.1 -2,-0.0 0.727 104.7 38.5 -65.3 -24.4 90.3 16.5 15.7 270 127 B S G < S+ 0 0 22 -3,-2.4 2,-0.3 3,-0.0 -1,-0.3 -0.274 90.3 164.9-114.8 46.2 92.4 18.6 18.2 271 128 B A < + 0 0 11 -3,-1.1 -41,-0.3 1,-0.2 3,-0.2 -0.484 31.2 179.0 -80.1 128.7 90.2 18.2 21.2 272 129 B L S S+ 0 0 75 -43,-2.0 2,-0.9 -2,-0.3 -39,-0.2 0.731 91.0 52.2 -83.3 -32.2 91.3 19.0 24.7 273 130 B N S > S- 0 0 37 -44,-2.7 4,-2.1 -45,-0.2 -1,-0.2 -0.825 74.6-177.3-103.2 90.0 87.9 18.0 25.8 274 131 B E H > S+ 0 0 114 -2,-0.9 4,-3.1 1,-0.2 5,-0.2 0.886 80.2 54.5 -59.8 -41.4 87.6 14.5 24.2 275 132 B E H > S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 110.1 46.1 -57.5 -45.5 84.0 13.9 25.4 276 133 B A H > S+ 0 0 0 2,-0.2 4,-2.7 -3,-0.2 -1,-0.2 0.922 113.1 50.6 -62.4 -42.1 82.8 17.2 23.8 277 134 B G H X S+ 0 0 3 -4,-2.1 4,-2.2 -48,-0.2 -2,-0.2 0.929 112.5 47.6 -61.1 -45.0 84.7 16.4 20.6 278 135 B R H X S+ 0 0 135 -4,-3.1 4,-2.4 1,-0.2 5,-0.3 0.906 112.5 46.9 -64.8 -45.1 83.1 12.9 20.5 279 136 B L H X S+ 0 0 31 -4,-2.6 4,-2.8 1,-0.2 8,-0.4 0.906 111.0 53.0 -62.5 -44.5 79.6 14.3 21.1 280 137 B L H < S+ 0 0 2 -4,-2.7 4,-0.3 -5,-0.2 -2,-0.2 0.954 115.9 38.7 -55.3 -49.9 80.0 17.0 18.5 281 138 B L H < S+ 0 0 80 -4,-2.2 3,-0.2 -5,-0.2 -2,-0.2 0.867 130.8 25.9 -70.2 -36.3 81.0 14.4 15.8 282 139 B E H < S+ 0 0 146 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.668 136.5 18.8-107.4 -24.3 78.6 11.6 16.7 283 140 B N >X + 0 0 79 -4,-2.8 4,-2.1 -5,-0.3 3,-1.1 -0.522 63.8 173.0-148.9 73.0 75.7 13.3 18.4 284 141 B Y H 3> S+ 0 0 24 1,-0.3 4,-2.8 -4,-0.3 5,-0.2 0.872 78.2 56.8 -55.5 -45.5 75.6 17.0 17.6 285 142 B E H 3> S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.808 109.0 46.4 -57.5 -32.0 72.3 17.6 19.2 286 143 B E H <> S+ 0 0 84 -3,-1.1 4,-2.4 -7,-0.2 -1,-0.2 0.874 110.0 52.1 -82.1 -39.0 73.5 16.3 22.5 287 144 B Y H X S+ 0 0 1 -4,-2.1 4,-2.6 -8,-0.4 -2,-0.2 0.949 113.3 47.3 -51.4 -48.6 76.8 18.3 22.4 288 145 B A H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.894 110.5 51.2 -65.3 -42.1 74.6 21.4 21.7 289 146 B A H X S+ 0 0 20 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.931 111.9 45.6 -59.9 -50.4 72.3 20.6 24.6 290 147 B R H X S+ 0 0 94 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.921 115.8 47.0 -56.8 -48.6 75.1 20.1 27.1 291 148 B A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.873 112.1 50.7 -64.1 -38.0 76.8 23.3 25.9 292 149 B R H X S+ 0 0 124 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.910 109.3 49.7 -65.2 -44.7 73.5 25.3 25.9 293 150 B L H X S+ 0 0 116 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.929 111.7 48.0 -67.3 -37.2 72.6 24.3 29.5 294 151 B L H X S+ 0 0 46 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.890 108.6 55.3 -65.5 -38.0 76.1 25.2 30.8 295 152 B T H X S+ 0 0 11 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.891 103.3 55.7 -61.4 -40.5 75.8 28.6 28.9 296 153 B E H < S+ 0 0 165 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.915 115.4 38.4 -59.0 -41.0 72.5 29.3 30.8 297 154 B I H < S+ 0 0 128 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.958 133.2 20.8 -71.4 -48.5 74.3 28.8 34.1 298 155 B H H < 0 0 71 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.649 360.0 360.0-103.3 -21.4 77.7 30.5 33.4 299 156 B G < 0 0 37 -4,-2.6 -97,-2.2 -5,-0.3 -1,-0.2 0.395 360.0 360.0 -79.4 360.0 77.2 32.8 30.4