==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 24-APR-13 4KC2 . COMPND 2 MOLECULE: FUCOSYLGLYCOPROTEIN ALPHA-N-ACETYLGALACTOSAMINYLT . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.CUESTA-SEIJO,S.WANG,D.LAFONT,S.VIDAL,M.M.PALCIC . 289 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.9 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 . 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 . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 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 PARALLEL BRIDGES PER LADDER . 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 58 A A 0 0 52 0, 0.0 3,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 175.7 10.5 34.7 -20.4 2 59 A I + 0 0 61 1,-0.2 3,-0.1 146,-0.1 147,-0.0 -0.294 360.0 25.6-106.8-164.2 7.5 32.4 -20.7 3 60 A G S S+ 0 0 76 -2,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.605 89.6 138.5 9.7 50.8 4.3 32.6 -22.8 4 61 A E - 0 0 131 -3,-0.2 -1,-0.1 1,-0.1 51,-0.0 -0.756 67.8 -72.2-110.2 161.8 6.2 34.6 -25.4 5 62 A F - 0 0 186 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 -0.281 55.7-147.0 -50.5 129.5 6.1 34.3 -29.2 6 63 A M - 0 0 67 -3,-0.0 3,-0.1 3,-0.0 -1,-0.1 -0.918 0.8-139.3-113.9 125.0 7.9 31.1 -30.0 7 64 A V - 0 0 86 -2,-0.5 47,-0.1 47,-0.2 2,-0.0 -0.221 40.1 -78.8 -69.3 165.2 10.0 30.5 -33.2 8 65 A S - 0 0 107 1,-0.1 -1,-0.1 46,-0.0 0, 0.0 -0.326 43.1-114.3 -66.1 144.4 9.9 27.2 -35.1 9 66 A L - 0 0 68 -3,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.488 36.1-113.8 -68.5 149.1 11.8 24.1 -34.0 10 67 A P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.356 46.3 -72.7 -75.0 166.2 14.6 23.1 -36.3 11 68 A R - 0 0 223 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.398 60.1-174.7 -52.1 131.5 14.6 19.8 -38.2 12 69 A M - 0 0 53 -3,-0.1 2,-0.6 -2,-0.1 -3,-0.0 -0.994 20.7-146.0-134.9 143.5 15.1 17.0 -35.7 13 70 A V + 0 0 117 -2,-0.3 -2,-0.0 3,-0.0 3,-0.0 -0.946 40.7 134.7-111.0 115.5 15.6 13.2 -36.3 14 71 A Y - 0 0 105 -2,-0.6 -2,-0.1 32,-0.0 30,-0.0 -0.971 60.1 -69.6-153.4 162.4 14.1 11.0 -33.5 15 72 A P - 0 0 112 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.282 56.4-109.6 -58.8 136.0 12.0 7.9 -33.1 16 73 A Q - 0 0 162 1,-0.1 -3,-0.0 -3,-0.0 2,-0.0 -0.445 35.5-106.5 -63.5 134.6 8.4 8.3 -34.1 17 74 A P - 0 0 99 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.375 30.9-130.8 -58.1 143.1 5.9 8.3 -31.2 18 75 A K > - 0 0 153 3,-0.2 3,-1.6 1,-0.2 -2,-0.0 -0.864 18.1-168.7-104.1 103.0 4.0 5.0 -31.1 19 76 A V T 3 S+ 0 0 138 -2,-0.8 -1,-0.2 1,-0.3 0, 0.0 0.832 88.2 45.9 -57.7 -36.8 0.2 5.7 -30.8 20 77 A L T 3 S+ 0 0 163 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.113 102.1 75.3-100.3 20.8 -0.7 2.1 -30.1 21 78 A T S < S- 0 0 79 -3,-1.6 -3,-0.2 3,-0.0 -1,-0.1 -0.966 78.5-132.5-131.5 116.2 2.1 1.5 -27.5 22 79 A P - 0 0 74 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.393 11.9-137.1 -61.7 142.1 1.8 2.9 -24.0 23 80 A C S S+ 0 0 65 1,-0.2 2,-0.3 19,-0.1 0, 0.0 0.760 93.5 19.7 -73.6 -25.7 5.0 4.7 -22.9 24 81 A R - 0 0 13 3,-0.1 -1,-0.2 18,-0.1 5,-0.1 -0.988 56.4-177.0-139.8 138.7 4.7 3.0 -19.5 25 82 A K S S+ 0 0 195 -2,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.413 85.2 51.6-108.6 -2.4 2.7 -0.1 -18.6 26 83 A D S S+ 0 0 87 1,-0.1 2,-0.3 252,-0.1 -1,-0.1 0.523 107.5 40.6-112.4 -12.4 3.4 -0.1 -14.9 27 84 A V S S- 0 0 29 12,-0.0 2,-0.5 251,-0.0 -3,-0.1 -0.937 80.3-101.6-139.8 158.4 2.5 3.5 -13.8 28 85 A L - 0 0 95 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.715 32.2-178.8 -76.3 123.1 0.1 6.3 -14.2 29 86 A V + 0 0 42 -2,-0.5 8,-2.6 1,-0.2 2,-0.3 0.432 65.2 40.4-107.5 -1.6 1.6 8.9 -16.6 30 87 A V B S-A 36 0A 60 6,-0.3 -1,-0.2 8,-0.1 230,-0.0 -0.987 77.3-128.0-146.5 135.5 -1.2 11.5 -16.6 31 88 A T > - 0 0 3 4,-3.1 3,-2.0 -2,-0.3 6,-0.0 -0.299 34.9-103.9 -72.8 165.4 -3.4 12.8 -13.8 32 89 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.629 125.1 56.1 -66.7 -11.6 -7.3 12.8 -14.1 33 90 A W T 3 S- 0 0 66 2,-0.1 -2,-0.1 225,-0.1 224,-0.0 0.110 125.5-104.6-102.1 19.9 -7.0 16.6 -14.7 34 91 A L S < S+ 0 0 143 -3,-2.0 225,-0.0 1,-0.2 -4,-0.0 0.792 71.5 144.7 66.7 33.7 -4.6 15.9 -17.6 35 92 A A - 0 0 2 223,-0.1 -4,-3.1 225,-0.0 -1,-0.2 -0.893 53.3-114.8 -95.5 129.4 -1.3 16.9 -16.0 36 93 A P B -A 30 0A 62 0, 0.0 225,-2.5 0, 0.0 2,-0.6 -0.356 17.3-143.7 -57.3 138.6 1.7 14.8 -17.0 37 94 A I E -b 261 0B 5 -8,-2.6 2,-0.8 223,-0.2 225,-0.2 -0.970 26.0-129.2-102.4 117.8 3.2 12.6 -14.3 38 95 A V E +b 262 0B 5 223,-2.6 225,-1.8 -2,-0.6 2,-0.3 -0.601 44.0 149.7 -83.5 106.5 6.9 12.7 -15.1 39 96 A W > - 0 0 11 -2,-0.8 3,-2.0 223,-0.1 4,-0.4 -0.915 56.7 -86.6-122.8 156.1 8.7 9.3 -15.3 40 97 A E T 3 S+ 0 0 49 -2,-0.3 240,-0.1 1,-0.2 241,-0.0 -0.412 117.8 36.1 -58.9 134.3 11.6 8.1 -17.3 41 98 A G T 3 S+ 0 0 34 2,-0.4 -1,-0.2 -2,-0.1 3,-0.0 0.229 96.7 85.6 101.2 -11.0 10.2 7.0 -20.7 42 99 A T S < S+ 0 0 50 -3,-2.0 2,-0.3 1,-0.1 -2,-0.1 0.697 87.6 47.3 -90.9 -22.0 7.5 9.6 -20.9 43 100 A F - 0 0 42 -4,-0.4 2,-0.7 4,-0.0 -2,-0.4 -0.905 62.8-141.1-129.4 148.9 9.7 12.4 -22.4 44 101 A N > - 0 0 50 -2,-0.3 4,-1.9 1,-0.1 3,-0.4 -0.938 19.7-161.5-100.1 108.0 12.2 13.1 -25.2 45 102 A I H > S+ 0 0 40 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.763 85.2 61.6 -66.2 -25.7 14.7 15.4 -23.5 46 103 A D H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 106.2 44.9 -67.4 -44.1 16.1 16.6 -26.9 47 104 A I H > S+ 0 0 39 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.956 115.9 47.1 -61.6 -50.0 12.7 18.0 -28.0 48 105 A L H X S+ 0 0 30 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.897 109.0 53.4 -61.4 -43.8 12.1 19.6 -24.6 49 106 A N H X S+ 0 0 44 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.907 109.8 49.8 -56.4 -43.8 15.6 21.2 -24.4 50 107 A E H X S+ 0 0 64 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.948 110.7 49.0 -57.0 -52.7 15.0 22.8 -27.8 51 108 A Q H X S+ 0 0 83 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.918 117.5 39.9 -56.0 -47.0 11.6 24.2 -26.7 52 109 A F H <>S+ 0 0 17 -4,-2.6 5,-1.7 1,-0.2 3,-0.4 0.835 113.1 52.6 -77.7 -32.8 13.0 25.7 -23.5 53 110 A R H ><5S+ 0 0 107 -4,-2.7 3,-2.1 -5,-0.2 -1,-0.2 0.890 103.7 58.6 -66.3 -39.4 16.4 26.9 -25.0 54 111 A L H 3<5S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.3 -47,-0.2 0.721 106.8 48.6 -62.3 -21.5 14.5 28.8 -27.7 55 112 A Q T 3<5S- 0 0 59 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.364 110.2-126.5 -95.7 4.3 12.7 30.7 -25.0 56 113 A N T < 5 - 0 0 81 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.922 38.0-159.8 44.5 55.0 16.0 31.4 -23.2 57 114 A T < - 0 0 1 -5,-1.7 32,-1.2 91,-0.1 2,-0.5 -0.368 13.1-159.4 -67.7 134.5 14.6 30.0 -20.0 58 115 A T E -c 89 0B 10 30,-0.1 90,-2.6 -2,-0.1 91,-1.6 -0.980 5.8-158.8-114.2 128.4 16.2 30.9 -16.6 59 116 A I E -cd 90 149B 0 30,-2.9 32,-2.4 -2,-0.5 2,-0.4 -0.920 2.1-154.6-110.0 126.3 15.6 28.6 -13.7 60 117 A G E -cd 91 150B 0 89,-3.1 91,-2.4 -2,-0.5 2,-0.5 -0.817 6.2-160.4 -93.1 138.1 16.0 29.7 -10.1 61 118 A L E -cd 92 151B 0 30,-2.4 32,-3.1 -2,-0.4 2,-0.4 -0.979 6.0-159.5-120.6 117.3 16.7 27.1 -7.4 62 119 A T E +cd 93 152B 1 89,-3.1 91,-2.1 -2,-0.5 2,-0.3 -0.784 15.4 169.3 -98.9 141.1 16.0 28.0 -3.8 63 120 A V E -cd 94 153B 0 30,-2.1 32,-2.7 -2,-0.4 2,-0.5 -0.990 23.2-142.8-150.8 136.7 17.6 26.2 -0.9 64 121 A F E +c 95 0B 16 89,-0.5 91,-0.4 -2,-0.3 2,-0.4 -0.901 16.0 177.3-106.6 127.7 17.8 26.9 2.9 65 122 A A E +c 96 0B 0 30,-3.3 32,-0.6 -2,-0.5 33,-0.4 -0.748 16.8 167.7-129.2 82.1 20.9 26.2 4.8 66 123 A I > - 0 0 10 -2,-0.4 3,-1.8 30,-0.2 30,-0.1 -0.798 54.9 -33.6-103.6 137.7 20.2 27.3 8.4 67 124 A K G > S+ 0 0 79 -2,-0.4 3,-1.4 1,-0.3 4,-0.1 -0.294 133.9 2.6 55.4-125.9 22.4 26.5 11.4 68 125 A K G > S+ 0 0 167 1,-0.3 3,-1.7 2,-0.1 -1,-0.3 0.678 116.5 80.7 -66.8 -17.9 24.0 23.0 11.0 69 126 A Y G X + 0 0 88 -3,-1.8 3,-1.6 1,-0.3 4,-0.3 0.556 67.1 85.0 -69.8 -7.1 22.5 22.4 7.6 70 127 A V G X S+ 0 0 22 -3,-1.4 3,-1.4 1,-0.3 4,-0.4 0.784 76.5 72.8 -60.4 -24.8 25.2 24.6 6.0 71 128 A A G < S+ 0 0 82 -3,-1.7 4,-0.3 1,-0.3 -1,-0.3 0.708 91.0 56.5 -62.0 -21.9 27.2 21.3 6.0 72 129 A F G <> S+ 0 0 59 -3,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.577 84.9 84.3 -86.6 -12.2 25.0 19.9 3.2 73 130 A L H <> S+ 0 0 0 -3,-1.4 4,-2.9 -4,-0.3 5,-0.3 0.867 81.0 57.3 -63.7 -41.8 25.7 22.8 0.7 74 131 A K H > S+ 0 0 117 -4,-0.4 4,-2.4 -3,-0.2 -1,-0.2 0.952 114.5 36.7 -58.2 -53.0 29.0 21.6 -0.8 75 132 A L H > S+ 0 0 60 -4,-0.3 4,-2.4 2,-0.2 84,-0.3 0.892 116.1 55.2 -67.1 -40.2 27.6 18.2 -2.0 76 133 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 83,-0.3 0.953 114.5 38.2 -55.4 -54.9 24.2 19.8 -2.9 77 134 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.865 114.8 53.3 -67.9 -41.4 25.7 22.4 -5.2 78 135 A E H X S+ 0 0 65 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.2 0.901 113.9 42.5 -59.8 -45.1 28.4 20.2 -6.7 79 136 A T H X S+ 0 0 19 -4,-2.4 4,-1.5 2,-0.2 3,-0.4 0.841 109.9 56.8 -73.7 -32.7 25.9 17.6 -7.7 80 137 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 3,-0.2 0.905 102.6 57.7 -59.9 -40.3 23.4 20.2 -9.0 81 138 A E H < S+ 0 0 30 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.819 111.7 40.7 -58.2 -32.5 26.3 21.4 -11.2 82 139 A K H < S+ 0 0 159 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.697 133.3 16.3 -90.1 -19.8 26.4 17.9 -12.8 83 140 A H H < S+ 0 0 52 -4,-1.5 80,-2.7 -3,-0.2 2,-0.7 0.611 95.0 92.6-128.1 -18.1 22.7 17.2 -13.0 84 141 A F B < S-i 163 0C 0 -4,-2.9 80,-0.2 -5,-0.2 -1,-0.1 -0.791 108.0 -38.3 -99.9 110.2 20.4 20.2 -12.7 85 142 A M S > S- 0 0 1 78,-2.7 3,-2.2 -2,-0.7 -1,-0.2 0.802 75.9-169.5 53.7 37.2 19.3 22.0 -15.8 86 143 A V T 3 S+ 0 0 87 1,-0.3 -1,-0.2 77,-0.2 3,-0.1 -0.376 71.3 26.5 -62.6 129.6 22.7 21.6 -17.5 87 144 A G T 3 S+ 0 0 61 1,-0.4 -1,-0.3 22,-0.2 2,-0.2 0.158 108.7 90.5 101.9 -16.8 22.8 23.8 -20.7 88 145 A H S < S- 0 0 8 -3,-2.2 -1,-0.4 1,-0.0 2,-0.4 -0.654 89.3 -88.7-109.0 163.2 20.2 26.3 -19.3 89 146 A R E -c 58 0B 105 -32,-1.2 -30,-2.9 -2,-0.2 2,-0.4 -0.601 49.1-173.8 -71.7 127.5 20.5 29.5 -17.3 90 147 A V E -ce 59 111B 1 20,-1.5 22,-2.3 -2,-0.4 2,-0.5 -0.984 17.0-169.9-127.9 136.4 20.5 28.8 -13.6 91 148 A H E -ce 60 112B 2 -32,-2.4 -30,-2.4 -2,-0.4 2,-0.4 -0.971 13.4-154.8-124.6 113.3 20.4 31.1 -10.6 92 149 A Y E -ce 61 113B 1 20,-3.2 22,-2.8 -2,-0.5 2,-0.6 -0.746 3.3-161.9 -85.9 133.5 21.0 29.5 -7.2 93 150 A Y E -ce 62 114B 0 -32,-3.1 -30,-2.1 -2,-0.4 2,-0.7 -0.944 5.3-168.0-116.2 108.5 19.5 31.3 -4.2 94 151 A V E -ce 63 115B 0 20,-2.6 22,-3.3 -2,-0.6 2,-0.5 -0.866 3.7-161.6-101.0 109.7 21.1 30.1 -0.9 95 152 A F E +ce 64 116B 0 -32,-2.7 -30,-3.3 -2,-0.7 2,-0.3 -0.810 29.0 150.3 -89.2 123.9 19.2 31.3 2.1 96 153 A T E -ce 65 117B 0 20,-2.2 22,-2.0 -2,-0.5 -30,-0.2 -0.993 55.1-142.0-153.0 154.8 21.4 31.1 5.3 97 154 A D S S+ 0 0 44 -32,-0.6 23,-0.1 -2,-0.3 -31,-0.1 0.415 102.7 54.6 -91.4 -2.0 22.1 32.6 8.7 98 155 A Q > + 0 0 65 -33,-0.4 3,-2.0 1,-0.1 4,-0.3 -0.621 57.2 170.5-132.5 75.0 25.9 32.0 8.0 99 156 A P G > S+ 0 0 49 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.827 81.0 59.4 -55.0 -31.4 27.0 33.7 4.7 100 157 A A G 3 S+ 0 0 107 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.665 98.5 58.8 -71.8 -17.4 30.6 33.0 5.6 101 158 A A G < S+ 0 0 42 -3,-2.0 -1,-0.3 2,-0.1 -3,-0.0 0.387 74.5 113.4 -94.2 1.0 30.0 29.2 5.7 102 159 A V S < S- 0 0 22 -3,-1.2 -31,-0.1 -4,-0.3 -32,-0.0 -0.656 71.5-123.7 -73.8 119.9 28.7 28.9 2.1 103 160 A P - 0 0 35 0, 0.0 2,-1.3 0, 0.0 -2,-0.1 -0.326 17.1-113.9 -65.8 148.2 31.3 26.8 0.2 104 161 A R - 0 0 245 -2,-0.0 2,-0.4 2,-0.0 -30,-0.0 -0.695 42.7-175.5 -83.4 92.7 33.0 28.2 -2.9 105 162 A V - 0 0 31 -2,-1.3 2,-0.4 1,-0.0 -31,-0.0 -0.786 26.3-121.0 -97.7 133.3 31.6 25.9 -5.5 106 163 A T - 0 0 132 -2,-0.4 2,-0.3 1,-0.0 -25,-0.1 -0.576 32.4-153.4 -74.4 126.2 32.9 26.2 -9.1 107 164 A L - 0 0 50 -2,-0.4 3,-0.1 4,-0.1 4,-0.1 -0.805 11.2-120.1-108.1 144.7 30.0 26.9 -11.5 108 165 A G > - 0 0 34 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 -0.245 53.3 -71.7 -68.0 164.1 29.5 26.2 -15.2 109 166 A T T 3 S+ 0 0 150 1,-0.2 -22,-0.2 -20,-0.0 -1,-0.2 -0.262 119.4 25.1 -59.9 143.8 29.0 29.1 -17.6 110 167 A G T 3 S+ 0 0 39 1,-0.2 -20,-1.5 -3,-0.1 2,-0.4 0.599 100.5 108.6 79.2 12.9 25.6 30.8 -17.5 111 168 A R E < +e 90 0B 25 -3,-1.1 2,-0.3 -22,-0.2 -1,-0.2 -0.963 43.1 176.4-126.0 137.7 25.1 29.8 -13.9 112 169 A Q E -e 91 0B 79 -22,-2.3 -20,-3.2 -2,-0.4 2,-0.4 -0.937 17.0-145.7-141.0 160.9 25.2 32.1 -10.8 113 170 A L E -e 92 0B 53 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.995 6.9-168.0-133.6 133.0 24.7 32.0 -7.1 114 171 A S E -e 93 0B 17 -22,-2.8 -20,-2.6 -2,-0.4 2,-0.5 -0.969 15.0-143.5-117.7 134.6 23.4 34.6 -4.6 115 172 A V E -e 94 0B 59 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.868 14.7-165.0 -96.8 123.7 23.7 34.3 -0.8 116 173 A L E -e 95 0B 12 -22,-3.3 -20,-2.2 -2,-0.5 2,-0.4 -0.936 11.6-144.0-113.6 110.0 20.6 35.6 1.0 117 174 A E E +e 96 0B 141 -2,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.589 28.9 167.4 -76.4 128.7 21.1 36.3 4.7 118 175 A V - 0 0 22 -22,-2.0 2,-0.1 -2,-0.4 -2,-0.0 -0.897 38.4 -89.6-133.6 165.0 18.0 35.5 6.8 119 176 A R - 0 0 71 -2,-0.3 2,-0.5 -53,-0.0 -22,-0.1 -0.440 36.5-129.3 -71.1 147.4 17.2 35.0 10.5 120 177 A A - 0 0 45 -2,-0.1 2,-0.2 -23,-0.1 -1,-0.0 -0.903 16.9-146.9-100.6 123.0 17.5 31.6 12.1 121 178 A Y - 0 0 76 -2,-0.5 6,-0.1 2,-0.1 -55,-0.0 -0.566 14.3-129.3 -83.2 153.6 14.5 30.3 14.1 122 179 A K S S+ 0 0 181 -2,-0.2 2,-0.3 4,-0.1 -1,-0.1 0.945 87.9 65.3 -69.6 -51.7 15.1 28.1 17.2 123 180 A R S > S- 0 0 88 1,-0.1 4,-2.1 4,-0.0 3,-0.4 -0.568 76.4-138.9 -79.0 133.7 12.7 25.2 16.4 124 181 A W H > S+ 0 0 157 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.830 104.8 60.2 -58.4 -31.4 13.5 23.1 13.3 125 182 A Q H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 120,-0.3 0.900 106.1 45.0 -62.2 -44.9 9.8 23.1 12.5 126 183 A D H > S+ 0 0 31 -3,-0.4 4,-3.2 2,-0.2 -2,-0.2 0.880 110.2 54.1 -67.9 -41.3 9.7 27.0 12.3 127 184 A V H < S+ 0 0 28 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.946 113.9 43.6 -54.7 -48.7 12.9 27.0 10.1 128 185 A S H >< S+ 0 0 28 -4,-2.3 3,-0.7 1,-0.2 4,-0.3 0.904 118.0 44.1 -62.0 -46.0 11.2 24.6 7.8 129 186 A M H >< S+ 0 0 16 -4,-2.5 3,-1.9 1,-0.2 4,-0.4 0.899 103.3 62.1 -69.5 -43.9 7.8 26.4 7.8 130 187 A R T 3X S+ 0 0 38 -4,-3.2 4,-2.3 1,-0.3 -1,-0.2 0.501 80.8 84.9 -68.1 -4.6 9.2 30.0 7.4 131 188 A R H <> S+ 0 0 29 -3,-0.7 4,-3.0 -4,-0.4 -1,-0.3 0.876 85.5 58.5 -57.4 -37.9 10.6 29.0 4.0 132 189 A M H <> S+ 0 0 3 -3,-1.9 4,-2.0 -4,-0.3 -1,-0.2 0.919 108.6 42.4 -59.6 -46.6 7.1 29.8 2.7 133 190 A E H > S+ 0 0 47 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.913 116.4 48.7 -64.2 -44.7 7.3 33.4 4.0 134 191 A M H X S+ 0 0 24 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.882 111.9 47.6 -68.3 -39.3 10.9 33.9 2.9 135 192 A I H X S+ 0 0 3 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.929 113.4 48.9 -65.5 -44.3 10.3 32.5 -0.7 136 193 A S H X S+ 0 0 8 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.897 110.0 51.4 -61.9 -42.4 7.2 34.7 -1.1 137 194 A D H < S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.882 112.9 44.5 -63.2 -40.4 9.0 37.8 0.1 138 195 A F H <>S+ 0 0 30 -4,-1.8 5,-2.2 2,-0.2 4,-0.3 0.678 105.3 63.5 -80.4 -18.6 11.9 37.3 -2.3 139 196 A C H <>S+ 0 0 0 -4,-1.5 5,-1.8 1,-0.2 6,-0.2 0.976 103.0 46.9 -62.7 -56.8 9.4 36.5 -5.2 140 197 A E T <5S+ 0 0 135 -4,-1.7 -1,-0.2 3,-0.1 -2,-0.2 0.499 126.5 35.3 -65.1 -3.0 7.9 40.0 -5.1 141 198 A R T >5S- 0 0 148 -3,-0.2 4,-0.5 -5,-0.1 -2,-0.2 0.523 131.9 -2.6-111.5-100.6 11.5 41.2 -5.0 142 199 A R H >>5S+ 0 0 69 -4,-0.3 4,-1.3 1,-0.2 3,-0.9 0.877 119.6 62.0 -67.9 -45.0 14.4 39.4 -6.9 143 200 A F H 3> - 0 0 1 -2,-0.4 3,-2.0 -80,-0.2 4,-0.2 -0.404 63.2 -49.3-132.6-157.4 16.0 19.1 -16.3 165 222 A V G > S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 -81,-0.0 0.595 107.7 85.0 -67.1 -11.8 13.4 21.1 -18.2 166 223 A E G 3 S+ 0 0 3 1,-0.2 -1,-0.3 -123,-0.0 -128,-0.0 0.740 89.1 54.8 -56.3 -23.1 10.9 18.1 -18.2 167 224 A I G < S+ 0 0 0 -3,-2.0 -1,-0.2 93,-0.0 2,-0.2 0.662 83.6 110.3 -84.9 -15.8 9.8 19.4 -14.8 168 225 A L < + 0 0 3 -3,-1.4 3,-0.1 -4,-0.2 -17,-0.0 -0.427 35.3 119.9 -78.1 135.1 9.0 22.9 -15.9 169 226 A T S S- 0 0 14 -2,-0.2 3,-0.2 91,-0.1 47,-0.1 -0.929 76.3 -81.6-176.9 164.3 5.4 24.0 -15.9 170 227 A P S S+ 0 0 64 0, 0.0 46,-1.9 0, 0.0 2,-0.3 0.899 113.3 5.0 -55.9 -39.3 3.2 26.7 -14.2 171 228 A L E S+G 215 0B 7 44,-0.3 88,-2.2 48,-0.1 89,-1.4 -0.934 71.5 176.9-150.8 121.5 2.8 24.6 -11.0 172 229 A F E -Gh 214 260B 0 42,-3.0 42,-1.8 -2,-0.3 2,-0.3 -0.965 9.8-176.0-129.5 148.3 4.3 21.3 -9.9 173 230 A G E - h 0 261B 0 87,-1.1 89,-2.9 -2,-0.4 2,-0.4 -0.811 22.3-129.7-122.2 171.2 4.4 19.0 -6.9 174 231 A T E - 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