==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAR-06 2GAM . COMPND 2 MOLECULE: BETA-1,6-N-ACETYLGLUCOSAMINYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.E.PAK,J.M.RINI . 1466 9 12 10 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63236.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 985 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 7.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 94 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 200 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 423 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.1 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 11 6 1 7 2 5 9 7 3 0 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 0 1 7 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 . 9 6 11 1 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 ANTIPARALLEL BRIDGES PER LADDER . 7 9 0 2 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 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 56 A N 0 0 156 0, 0.0 2,-0.3 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 8.2 44.4 9.3 78.8 2 57 A V - 0 0 32 349,-0.0 2,-0.9 19,-0.0 12,-0.0 -0.921 360.0-113.0-164.0 136.5 44.4 5.5 78.4 3 58 A N > - 0 0 82 -2,-0.3 4,-1.4 1,-0.2 3,-0.3 -0.646 24.4-171.5 -80.7 103.7 45.2 2.6 80.9 4 59 A C H > S+ 0 0 16 -2,-0.9 4,-2.3 1,-0.2 5,-0.3 0.918 81.9 63.6 -58.5 -47.8 48.3 0.9 79.8 5 60 A T H > S+ 0 0 66 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.899 102.8 50.1 -43.6 -49.7 47.9 -1.9 82.3 6 61 A K H >4>S+ 0 0 73 -3,-0.3 5,-2.2 1,-0.2 3,-0.7 0.918 108.3 52.4 -57.4 -45.3 44.7 -3.0 80.6 7 62 A I H ><5S+ 0 0 0 -4,-1.4 3,-0.7 -3,-0.3 324,-0.5 0.857 108.3 50.2 -61.0 -36.9 46.4 -3.0 77.2 8 63 A L H 3<5S+ 0 0 31 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.690 109.8 51.9 -74.8 -18.0 49.2 -5.2 78.5 9 64 A Q T <<5S- 0 0 145 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.452 118.3-114.6 -95.4 -2.2 46.6 -7.6 79.9 10 65 A G T < 5 + 0 0 32 -3,-0.7 -3,-0.2 -4,-0.5 -2,-0.1 0.760 44.9 179.0 77.8 27.8 44.8 -7.7 76.5 11 66 A D >< - 0 0 32 -5,-2.2 4,-2.4 1,-0.2 5,-0.2 -0.486 20.1-152.0 -66.0 117.4 41.6 -5.9 77.4 12 67 A P H > S+ 0 0 96 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.907 93.8 51.7 -56.0 -47.1 39.5 -5.8 74.2 13 68 A E H > S+ 0 0 140 1,-0.2 4,-1.1 2,-0.2 -2,-0.1 0.927 112.4 46.1 -57.6 -46.4 37.6 -2.6 75.3 14 69 A E H > S+ 0 0 3 2,-0.2 4,-1.4 1,-0.2 3,-0.4 0.896 110.0 51.4 -65.1 -43.1 40.8 -0.8 76.1 15 70 A I H X S+ 0 0 17 -4,-2.4 4,-0.9 1,-0.3 3,-0.4 0.924 109.2 53.7 -59.2 -41.4 42.6 -1.8 72.9 16 71 A Q H X S+ 0 0 97 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.3 0.801 102.2 60.0 -61.3 -30.8 39.5 -0.5 71.1 17 72 A K H X S+ 0 0 88 -4,-1.1 4,-2.5 -3,-0.4 -1,-0.2 0.866 96.3 56.5 -68.7 -39.8 39.9 2.8 73.0 18 73 A V H X S+ 0 0 2 -4,-1.4 4,-1.9 -3,-0.4 -1,-0.2 0.839 103.2 59.2 -61.6 -29.9 43.4 3.6 71.6 19 74 A K H X S+ 0 0 86 -4,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.908 109.6 40.3 -64.0 -43.5 41.7 3.3 68.2 20 75 A L H X S+ 0 0 72 -4,-1.1 4,-1.5 -3,-0.2 -2,-0.2 0.836 111.7 59.4 -73.1 -32.9 39.3 6.1 69.0 21 76 A E H < S+ 0 0 70 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.833 106.7 47.0 -64.3 -35.4 42.1 8.0 70.7 22 77 A I H < S+ 0 0 64 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.1 0.985 112.2 42.4 -71.5 -65.0 44.1 8.1 67.5 23 78 A L H < S+ 0 0 46 -4,-1.3 2,-1.3 1,-0.2 -2,-0.2 0.871 107.1 70.7 -51.3 -40.8 41.7 9.2 64.8 24 79 A T < 0 0 67 -4,-1.5 -1,-0.2 -5,-0.2 1298,-0.0 -0.673 360.0 360.0 -84.1 92.8 40.3 11.7 67.3 25 80 A V 0 0 152 -2,-1.3 -1,-0.2 2,-0.0 -2,-0.1 0.595 360.0 360.0 -95.5 360.0 43.1 14.3 67.6 26 ! 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 27 85 A R 0 0 195 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 161.7 50.7 17.6 69.0 28 86 A P + 0 0 114 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.397 360.0 166.5 -59.9 111.4 54.3 17.6 70.3 29 87 A R - 0 0 124 -2,-0.4 0, 0.0 47,-0.0 0, 0.0 -0.886 20.9-153.1-132.5 101.2 56.5 16.4 67.4 30 88 A W - 0 0 90 -2,-0.4 46,-0.2 1,-0.0 45,-0.0 -0.212 11.0-157.2 -68.1 162.3 60.3 17.0 67.8 31 89 A T > - 0 0 54 44,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.835 35.6 -92.2-134.2 171.9 62.5 17.3 64.7 32 90 A P H > S+ 0 0 28 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.901 125.9 49.5 -52.9 -43.0 66.2 16.9 63.9 33 91 A H H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.940 103.1 58.5 -62.7 -47.7 66.9 20.5 64.6 34 92 A D H > S+ 0 0 64 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.883 110.2 46.4 -47.4 -41.5 65.0 20.5 68.0 35 93 A Y H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.3 0.826 104.8 58.0 -71.6 -35.4 67.5 17.8 68.9 36 94 A I H < S+ 0 0 55 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.840 115.4 39.3 -64.2 -31.4 70.5 19.7 67.6 37 95 A N H >< S+ 0 0 95 -4,-2.2 3,-2.6 2,-0.2 4,-0.4 0.955 113.7 51.8 -78.5 -58.7 69.5 22.4 70.0 38 96 A M H >< S+ 0 0 47 -4,-3.0 3,-0.8 1,-0.3 7,-0.4 0.791 105.5 56.5 -48.6 -36.2 68.4 20.2 73.0 39 97 A T T 3< S+ 0 0 10 -4,-2.2 -1,-0.3 1,-0.2 3,-0.2 0.612 81.7 90.1 -74.8 -10.9 71.8 18.3 72.8 40 98 A R T < S+ 0 0 172 -3,-2.6 2,-0.6 1,-0.3 -1,-0.2 0.879 95.3 37.4 -50.8 -43.0 73.5 21.7 73.3 41 99 A D S <> S- 0 0 85 -3,-0.8 4,-2.5 -4,-0.4 -1,-0.3 -0.914 72.6-171.8-117.2 102.9 73.4 21.1 77.0 42 100 A C H > S+ 0 0 44 -2,-0.6 4,-2.9 -3,-0.2 5,-0.4 0.934 82.2 59.5 -57.4 -53.7 73.9 17.4 77.8 43 101 A A H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.909 112.9 40.9 -42.4 -51.6 73.0 17.7 81.5 44 102 A S H > S+ 0 0 35 2,-0.2 4,-3.7 3,-0.2 5,-0.3 0.945 113.5 51.1 -65.7 -51.3 69.6 19.0 80.6 45 103 A F H X S+ 0 0 5 -4,-2.5 4,-2.7 -7,-0.4 5,-0.3 0.959 115.6 42.8 -50.5 -57.5 69.0 16.6 77.6 46 104 A I H X>S+ 0 0 31 -4,-2.9 5,-1.9 1,-0.2 4,-0.7 0.950 118.9 43.4 -54.2 -55.9 69.9 13.6 79.8 47 105 A R H ><5S+ 0 0 162 -4,-2.6 3,-0.6 -5,-0.4 -2,-0.2 0.942 117.9 45.4 -56.7 -52.3 67.9 14.8 82.8 48 106 A T H 3<5S+ 0 0 81 -4,-3.7 -2,-0.2 1,-0.3 -3,-0.2 0.980 116.5 42.3 -55.8 -64.1 64.9 15.9 80.8 49 107 A R H 3<5S- 0 0 36 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.545 112.5-126.9 -63.2 -5.6 64.6 12.8 78.6 50 108 A K T <<5 - 0 0 142 -4,-0.7 2,-0.5 -3,-0.6 -3,-0.2 0.954 34.7-175.0 59.3 61.3 65.3 10.8 81.7 51 109 A Y < - 0 0 10 -5,-1.9 2,-1.1 -6,-0.1 -1,-0.2 -0.756 32.4-119.4 -89.6 126.7 68.2 8.6 80.7 52 110 A I + 0 0 30 -2,-0.5 4,-0.1 31,-0.3 -1,-0.1 -0.497 41.2 170.2 -64.8 100.7 69.2 6.1 83.4 53 111 A V + 0 0 69 -2,-1.1 -1,-0.2 34,-0.1 34,-0.1 0.162 54.7 75.2-101.0 17.1 72.8 7.3 83.9 54 112 A E S S- 0 0 141 34,-0.0 -1,-0.1 35,-0.0 -2,-0.0 -0.980 90.9-110.3-132.6 119.5 73.4 5.2 86.9 55 113 A P - 0 0 49 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.147 25.0-145.6 -46.4 135.4 74.0 1.4 86.7 56 114 A L + 0 0 63 -4,-0.1 2,-0.2 1,-0.1 31,-0.0 0.935 67.2 1.2 -75.7 -47.8 71.0 -0.5 88.1 57 115 A T > - 0 0 51 1,-0.1 4,-1.3 0, 0.0 -1,-0.1 -0.785 63.4-115.2-133.8 178.3 72.6 -3.6 89.7 58 116 A K H > S+ 0 0 199 -2,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.703 114.5 61.4 -84.6 -22.2 76.0 -5.2 90.3 59 117 A E H 4 S+ 0 0 63 2,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.844 107.3 42.4 -71.8 -35.7 74.9 -8.0 88.1 60 118 A E H >4 S+ 0 0 3 2,-0.2 3,-2.4 1,-0.2 -2,-0.2 0.903 108.0 57.6 -78.3 -43.5 74.5 -5.8 85.0 61 119 A V H 3< S+ 0 0 70 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.842 107.0 51.3 -55.2 -34.3 77.7 -3.7 85.6 62 120 A G T 3< S+ 0 0 51 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.426 107.9 57.0 -84.5 2.2 79.6 -7.0 85.4 63 121 A F S < S- 0 0 23 -3,-2.4 -1,-0.2 2,-0.0 2,-0.2 -0.656 75.2-166.3-135.5 80.2 77.9 -7.9 82.2 64 122 A P - 0 0 17 0, 0.0 89,-3.4 0, 0.0 90,-0.6 -0.441 3.8-158.4 -70.5 135.7 78.5 -5.3 79.5 65 123 A I E -a 154 0A 0 87,-0.2 26,-1.8 88,-0.2 2,-0.4 -0.806 2.8-148.5-111.5 152.7 76.3 -5.4 76.3 66 124 A A E -ab 155 91A 0 88,-2.4 90,-2.9 -2,-0.3 2,-0.4 -0.979 9.6-162.6-125.3 136.6 77.1 -3.9 72.9 67 125 A Y E -ab 156 92A 0 24,-2.8 26,-2.9 -2,-0.4 2,-0.5 -0.949 11.8-164.6-123.1 142.4 74.6 -2.6 70.4 68 126 A S E -ab 157 93A 0 88,-2.1 90,-3.6 -2,-0.4 2,-0.5 -0.970 18.7-169.4-123.0 107.3 75.0 -1.8 66.7 69 127 A I E -ab 158 94A 0 24,-2.7 26,-3.4 -2,-0.5 2,-0.6 -0.896 7.9-159.1-107.1 126.6 72.0 0.4 65.6 70 128 A V E +ab 159 95A 19 88,-3.0 90,-1.3 -2,-0.5 2,-0.3 -0.912 24.4 158.9-107.9 118.6 71.3 1.0 62.0 71 129 A V E + b 0 96A 5 24,-2.9 26,-1.7 -2,-0.6 29,-0.1 -0.922 28.5 171.3-137.0 162.8 69.2 4.1 61.2 72 130 A H S S+ 0 0 97 1,-0.4 29,-0.4 -2,-0.3 2,-0.3 0.470 70.2 0.3-140.9 -23.1 68.4 6.5 58.4 73 131 A H S S+ 0 0 79 1,-0.1 -1,-0.4 27,-0.1 5,-0.1 -0.933 84.5 68.7-158.3-179.9 65.5 8.6 59.7 74 132 A K >> - 0 0 64 -2,-0.3 3,-1.6 3,-0.1 4,-1.6 0.967 46.9-167.1 64.6 63.3 62.9 9.4 62.4 75 133 A I H 3> S+ 0 0 7 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.663 82.7 58.7 -52.9 -24.8 65.1 11.0 65.1 76 134 A E H 3> S+ 0 0 43 -46,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.817 105.8 49.7 -77.9 -28.4 62.4 10.8 67.8 77 135 A M H <> S+ 0 0 17 -3,-1.6 4,-2.7 2,-0.2 5,-0.3 0.926 109.0 52.3 -71.5 -45.0 62.2 7.0 67.4 78 136 A L H X S+ 0 0 4 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.888 109.9 48.5 -57.1 -43.1 65.9 6.7 67.7 79 137 A D H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.856 112.1 48.3 -68.1 -36.9 66.0 8.6 70.9 80 138 A R H X S+ 0 0 33 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.953 114.2 45.2 -68.9 -47.1 63.2 6.6 72.4 81 139 A L H X S+ 0 0 3 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.880 113.0 52.4 -61.5 -39.1 64.7 3.3 71.5 82 140 A L H X S+ 0 0 0 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.809 110.2 46.8 -68.7 -31.3 68.1 4.5 72.7 83 141 A R H < S+ 0 0 24 -4,-1.6 -31,-0.3 2,-0.2 3,-0.3 0.862 107.1 58.5 -77.3 -36.1 66.7 5.5 76.1 84 142 A A H < S+ 0 0 36 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.784 120.3 27.6 -63.4 -28.1 64.9 2.2 76.4 85 143 A I H < S+ 0 0 5 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.392 91.0 124.3-115.4 2.4 68.2 0.3 76.1 86 144 A Y < + 0 0 12 -4,-0.7 -34,-0.2 -3,-0.3 82,-0.1 -0.434 23.9 159.3 -71.7 134.0 70.7 2.9 77.5 87 145 A M > - 0 0 4 -2,-0.2 3,-1.7 -34,-0.1 -34,-0.1 -0.950 43.4-128.4-151.3 127.5 72.9 1.8 80.4 88 146 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 0.813 107.8 53.8 -48.1 -35.5 76.2 3.5 81.3 89 147 A Q T 3 S+ 0 0 24 2,-0.1 -3,-0.0 -3,-0.1 2,-0.0 0.690 99.1 78.1 -75.9 -19.8 78.1 0.2 81.3 90 148 A N S < S- 0 0 0 -3,-1.7 2,-0.4 -26,-0.1 -24,-0.2 -0.122 75.1-126.4 -81.3-177.9 77.0 -0.7 77.8 91 149 A F E -b 66 0A 39 -26,-1.8 -24,-2.8 2,-0.0 2,-0.5 -1.000 16.5-165.5-136.0 134.2 78.3 0.4 74.4 92 150 A Y E -bc 67 118A 0 25,-2.7 27,-2.1 -2,-0.4 2,-0.6 -0.973 4.2-174.4-127.2 118.2 76.2 1.9 71.5 93 151 A a E -bc 68 119A 0 -26,-2.9 -24,-2.7 -2,-0.5 2,-0.4 -0.953 11.9-160.5-113.1 118.8 77.4 2.3 68.0 94 152 A I E -bc 69 120A 1 25,-2.6 27,-3.0 -2,-0.6 2,-0.6 -0.824 4.4-157.8-103.3 134.7 75.0 4.1 65.7 95 153 A H E -b 70 0A 0 -26,-3.4 -24,-2.9 -2,-0.4 2,-0.5 -0.947 8.3-164.3-113.7 115.6 75.2 3.8 61.9 96 154 A V E -b 71 0A 1 -2,-0.6 -24,-0.2 -26,-0.2 29,-0.1 -0.861 24.7-117.1-100.5 130.7 73.6 6.6 60.0 97 155 A D > - 0 0 17 -26,-1.7 3,-1.5 -2,-0.5 29,-0.2 -0.376 13.9-135.0 -64.4 140.8 72.9 6.1 56.3 98 156 A R T 3 S+ 0 0 161 27,-1.7 28,-0.2 1,-0.3 -1,-0.1 0.727 105.5 64.3 -69.5 -21.1 74.8 8.5 54.0 99 157 A K T 3 S+ 0 0 126 26,-0.3 -1,-0.3 28,-0.1 2,-0.1 0.353 85.4 113.2 -81.8 6.2 71.6 9.1 52.0 100 158 A A S < S- 0 0 20 -3,-1.5 -27,-0.1 1,-0.1 2,-0.1 -0.441 80.5 -93.9 -80.3 154.0 70.3 10.6 55.2 101 159 A E >> - 0 0 140 -29,-0.4 4,-2.0 1,-0.1 3,-0.7 -0.385 30.0-124.8 -65.5 140.7 69.4 14.3 55.7 102 160 A E H 3> S+ 0 0 175 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.857 111.9 58.4 -56.6 -35.8 72.2 16.4 57.1 103 161 A S H 3> S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.888 106.9 48.7 -62.0 -37.1 69.9 17.5 59.9 104 162 A F H <> S+ 0 0 8 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.937 111.0 47.2 -67.4 -50.8 69.3 13.9 60.9 105 163 A L H X S+ 0 0 48 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.937 112.7 51.4 -57.2 -46.0 73.0 12.9 61.0 106 164 A A H X S+ 0 0 26 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.920 106.3 54.6 -57.6 -44.7 73.7 16.1 63.0 107 165 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.926 111.7 44.1 -54.8 -45.9 70.9 15.2 65.4 108 166 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.3 -1,-0.2 0.869 112.6 49.8 -67.6 -39.7 72.6 11.7 66.0 109 167 A Q H X S+ 0 0 107 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.900 111.6 55.4 -63.7 -35.8 76.0 13.3 66.3 110 168 A G H >X S+ 0 0 10 -4,-2.9 4,-0.6 -5,-0.3 3,-0.6 0.969 111.7 37.5 -59.6 -59.6 74.2 15.5 68.7 111 169 A I H >< S+ 0 0 1 -4,-2.8 3,-2.7 1,-0.2 4,-0.5 0.970 112.0 59.4 -58.0 -54.7 72.8 12.8 71.0 112 170 A A H >< S+ 0 0 9 -4,-2.9 3,-1.0 1,-0.3 6,-0.4 0.751 98.0 61.3 -45.6 -31.4 76.0 10.7 70.7 113 171 A S H << S+ 0 0 81 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.768 93.4 63.7 -70.3 -24.6 78.0 13.6 72.1 114 172 A C T << S+ 0 0 15 -3,-2.7 2,-0.4 -4,-0.6 -1,-0.2 0.622 104.1 52.8 -74.6 -11.5 76.0 13.5 75.4 115 173 A F X - 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0 0 16 -4,-2.6 4,-0.9 -23,-0.1 3,-0.7 -0.478 49.0-179.4-174.2 94.6 50.5 3.4 66.9 350 408 A P H 3> S+ 0 0 28 0, 0.0 4,-3.0 0, 0.0 5,-0.1 0.783 85.3 69.1 -68.6 -25.5 52.4 5.4 69.5 351 409 A F H 3> S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.830 93.9 54.1 -62.0 -34.5 50.4 3.6 72.1 352 410 A A H <> S+ 0 0 0 -3,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.899 116.7 37.7 -67.2 -39.6 52.1 0.3 71.4 353 411 A I H X S+ 0 0 5 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.825 115.3 57.8 -78.6 -32.4 55.5 1.9 71.9 354 412 A Q H X S+ 0 0 61 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.947 111.9 35.9 -62.0 -56.2 54.1 4.1 74.7 355 413 A C H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.966 117.3 52.1 -64.1 -53.9 52.9 1.3 77.0 356 414 A L H X S+ 0 0 0 -4,-1.3 4,-1.7 -5,-0.4 -1,-0.2 0.843 109.2 54.8 -51.3 -35.4 55.7 -1.0 76.2 357 415 A D H X S+ 0 0 17 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.958 112.9 36.4 -66.8 -54.0 58.1 1.8 77.0 358 416 A E H X S+ 0 0 95 -4,-2.0 4,-4.2 2,-0.2 5,-0.4 0.913 112.9 58.5 -69.1 -40.8 56.8 2.6 80.5 359 417 A H H X S+ 0 0 32 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.925 109.0 45.2 -52.6 -49.0 56.2 -1.0 81.4 360 418 A L H X S+ 0 0 14 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.898 117.8 43.5 -64.3 -40.3 59.8 -1.9 80.8 361 419 A R H X S+ 0 0 64 -4,-1.7 4,-2.5 2,-0.2 3,-0.3 0.971 112.7 51.1 -68.0 -52.9 61.0 1.1 82.7 362 420 A R H < S+ 0 0 160 -4,-4.2 4,-0.3 1,-0.3 -2,-0.2 0.839 114.5 46.9 -51.4 -35.0 58.6 0.7 85.6 363 421 A K H < S+ 0 0 93 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.822 107.7 53.4 -78.9 -33.8 59.8 -2.9 85.7 364 422 A A H < S+ 0 0 30 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.948 105.9 53.0 -65.8 -47.2 63.5 -2.1 85.6 365 423 A L < 0 0 109 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.728 360.0 360.0 -58.1 -20.8 63.2 0.2 88.5 366 424 A E 0 0 211 -5,-0.3 -3,-0.2 -4,-0.3 -2,-0.1 1.000 360.0 360.0 69.4 360.0 61.6 -2.8 90.1 367 !* 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 0.0 368 56 B N 0 0 207 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -17.5 95.1 -44.6 89.5 369 57 B V - 0 0 34 1,-0.1 2,-1.0 15,-0.0 12,-0.0 -0.295 360.0-133.4 -58.8 135.5 93.1 -43.0 86.7 370 58 B N >> - 0 0 61 1,-0.2 4,-1.4 2,-0.0 3,-0.8 -0.782 21.3-171.7 -95.8 94.9 93.6 -39.2 86.3 371 59 B C H >> S+ 0 0 10 -2,-1.0 4,-2.5 1,-0.2 3,-0.5 0.910 78.3 61.0 -50.5 -56.3 90.0 -37.9 85.9 372 60 B T H 34 S+ 0 0 55 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.824 105.5 51.5 -45.2 -35.9 90.8 -34.3 85.1 373 61 B K H X4>S+ 0 0 76 -3,-0.8 3,-1.9 1,-0.2 5,-1.1 0.927 107.2 50.1 -70.5 -43.7 92.7 -35.6 82.1 374 62 B I H X<5S+ 0 0 0 -4,-1.4 3,-1.7 -3,-0.5 318,-0.5 0.910 105.6 59.3 -59.2 -39.0 89.8 -37.7 80.8 375 63 B L T 3<5S+ 0 0 26 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.508 105.1 51.6 -67.3 -3.3 87.6 -34.6 81.2 376 64 B Q T < 5S- 0 0 142 -3,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.355 114.8-109.9-116.1 5.3 89.9 -32.9 78.8 377 65 B G T < 5 + 0 0 27 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.271 52.8 172.0 85.9 -12.6 89.8 -35.4 76.0 378 66 B D >< - 0 0 50 -5,-1.1 4,-2.0 1,-0.2 -1,-0.2 -0.030 27.1-150.2 -36.2 108.5 93.5 -36.3 76.6 379 67 B P H > S+ 0 0 101 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.800 89.6 66.5 -55.2 -33.7 94.0 -39.4 74.3 380 68 B E H >> S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 3,-1.1 0.982 108.4 33.2 -52.1 -71.4 96.6 -40.8 76.8 381 69 B E H 3> S+ 0 0 14 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.898 111.7 64.2 -52.0 -48.0 94.1 -41.5 79.7 382 70 B I H 3X S+ 0 0 22 -4,-2.0 4,-1.7 1,-0.2 -1,-0.3 0.837 109.3 41.4 -45.6 -38.8 91.3 -42.3 77.3 383 71 B Q H << S+ 0 0 134 -4,-1.8 -1,-0.2 -3,-1.1 -2,-0.2 0.935 108.1 56.4 -77.1 -49.8 93.4 -45.2 76.1 384 72 B K H < S+ 0 0 123 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.807 117.9 39.0 -52.6 -31.1 94.7 -46.4 79.5 385 73 B V H < 0 0 25 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.1 0.938 360.0 360.0 -79.8 -79.7 91.1 -46.7 80.5 386 74 B K < 0 0 128 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.946 360.0 360.0 -47.1 360.0 89.4 -48.1 77.4 387 ! 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 0.0 388 85 B R 0 0 190 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.5 85.9 -57.7 90.1 389 86 B P + 0 0 141 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.432 360.0 173.3 -61.0 106.4 84.5 -57.1 93.6 390 87 B R - 0 0 76 -2,-0.6 0, 0.0 1,-0.0 0, 0.0 -0.964 30.7-115.0-123.7 134.7 81.1 -55.4 93.1 391 88 B W - 0 0 105 -2,-0.4 46,-0.2 1,-0.1 3,-0.0 -0.130 30.4-155.9 -59.6 161.1 78.4 -54.6 95.8 392 89 B T > - 0 0 56 44,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.856 35.0 -94.6-134.7 167.8 75.1 -56.4 95.7 393 90 B P H >> S+ 0 0 30 0, 0.0 4,-3.1 0, 0.0 3,-1.0 0.930 126.2 54.1 -49.3 -48.9 71.6 -55.7 97.0 394 91 B H H 3> S+ 0 0 129 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.883 104.5 54.2 -52.5 -42.1 72.4 -57.6 100.2 395 92 B D H 3> S+ 0 0 62 -3,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.828 113.0 44.6 -62.9 -29.6 75.4 -55.4 100.7 396 93 B Y H > S- 0 0 84 -3,-0.4 4,-2.2 -4,-0.3 3,-0.5 -0.876 74.1-170.9-112.7 101.1 71.9 -47.5 109.9 403 100 B d H 3> S+ 0 0 48 -2,-0.7 4,-2.8 1,-0.2 5,-0.3 0.928 82.2 56.4 -53.9 -55.6 71.0 -44.4 108.0 404 101 B A H 3> S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.818 112.8 42.9 -49.0 -36.5 73.3 -41.9 109.7 405 102 B S H <> S+ 0 0 29 -3,-0.5 4,-3.0 2,-0.2 5,-0.4 0.920 112.1 51.4 -78.2 -45.6 76.3 -44.1 108.8 406 103 B F H X S+ 0 0 5 -4,-2.2 4,-3.2 -7,-0.3 -2,-0.2 0.962 114.2 45.5 -53.2 -54.1 75.2 -44.9 105.2 407 104 B I H <>S+ 0 0 23 -4,-2.8 5,-2.0 1,-0.2 -1,-0.2 0.879 116.0 44.6 -57.4 -44.5 74.7 -41.1 104.6 408 105 B R H ><5S+ 0 0 167 -4,-1.5 3,-0.5 -5,-0.3 -1,-0.2 0.904 119.3 40.9 -69.7 -43.4 78.0 -40.1 106.2 409 106 B T H 3<5S+ 0 0 102 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.905 116.4 47.8 -70.8 -45.7 80.1 -42.8 104.6 410 107 B R T 3<5S- 0 0 39 -4,-3.2 -1,-0.2 -5,-0.4 -2,-0.2 0.354 108.1-131.1 -77.9 6.0 78.5 -42.5 101.2 411 108 B K T < 5 + 0 0 143 -3,-0.5 -3,-0.2 -5,-0.2 -4,-0.1 0.791 38.7 176.1 46.3 43.7 78.9 -38.7 101.5 412 109 B Y < - 0 0 13 -5,-2.0 2,-0.7 -6,-0.2 -1,-0.1 -0.389 32.5-116.3 -71.2 153.9 75.3 -37.8 100.6 413 110 B I + 0 0 30 31,-0.3 -1,-0.1 34,-0.2 4,-0.1 -0.848 41.9 161.3 -98.8 116.6 74.5 -34.1 100.8 414 111 B V + 0 0 64 -2,-0.7 -1,-0.1 34,-0.1 34,-0.1 0.188 56.7 73.8-117.9 15.0 71.8 -33.3 103.4 415 112 B E S S- 0 0 144 34,-0.0 -1,-0.1 35,-0.0 0, 0.0 -0.912 89.7-111.1-133.7 107.3 72.4 -29.5 103.8 416 113 B P - 0 0 48 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.096 20.2-146.9 -32.3 138.8 71.3 -27.1 101.1 417 114 B L S S+ 0 0 56 1,-0.2 2,-0.3 -4,-0.1 3,-0.1 0.736 75.1 6.9 -87.3 -25.1 74.3 -25.6 99.3 418 115 B T > - 0 0 50 1,-0.1 4,-1.5 112,-0.0 -1,-0.2 -0.968 64.1-123.5-150.3 162.1 72.7 -22.2 98.5 419 116 B K H > S+ 0 0 190 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.811 112.0 64.6 -77.1 -27.4 69.5 -20.4 99.3 420 117 B E H 4 S+ 0 0 62 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.905 105.4 43.1 -59.7 -43.3 69.0 -20.1 95.6 421 118 B E H >4 S+ 0 0 5 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.894 111.3 54.0 -70.6 -39.5 68.6 -23.8 95.4 422 119 B V H 3< S+ 0 0 65 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.810 107.2 53.3 -63.5 -29.1 66.4 -24.0 98.5 423 120 B G T 3< S+ 0 0 52 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.616 108.6 53.0 -80.5 -12.7 64.2 -21.4 96.8 424 121 B F S < S- 0 0 26 -3,-1.2 -1,-0.2 -4,-0.4 2,-0.2 -0.688 76.0-168.7-126.2 80.3 63.8 -23.6 93.7 425 122 B P - 0 0 16 0, 0.0 89,-2.6 0, 0.0 90,-0.6 -0.458 3.7-159.8 -71.9 137.5 62.7 -27.2 94.6 426 123 B I E -m 515 0G 0 87,-0.2 26,-2.0 -2,-0.2 2,-0.4 -0.841 3.7-148.7-114.1 152.0 62.9 -29.9 91.9 427 124 B A E -mn 516 452G 0 88,-2.6 90,-3.0 -2,-0.3 2,-0.4 -0.930 11.0-159.4-120.2 145.4 61.0 -33.2 91.8 428 125 B Y E -mn 517 453G 0 24,-2.8 26,-3.1 -2,-0.4 2,-0.6 -0.980 14.4-162.3-130.8 140.1 62.3 -36.4 90.3 429 126 B S E -mn 518 454G 0 88,-1.5 90,-1.9 -2,-0.4 2,-0.7 -0.911 18.1-171.3-118.0 97.9 60.6 -39.6 89.0 430 127 B I E -mn 519 455G 0 24,-1.8 26,-3.3 -2,-0.6 2,-0.6 -0.835 6.3-160.6 -98.9 110.9 63.3 -42.3 88.8 431 128 B V E +mn 520 456G 19 88,-2.1 90,-1.7 -2,-0.7 2,-0.3 -0.780 24.8 161.6 -91.0 116.6 62.2 -45.5 87.1 432 129 B V E + n 0 457G 5 24,-3.3 26,-2.2 -2,-0.6 29,-0.1 -0.836 31.8 173.8-132.6 169.0 64.4 -48.5 87.9 433 130 B H - 0 0 87 1,-0.4 29,-0.4 -2,-0.3 2,-0.3 0.367 69.4 -21.8-152.7 -4.9 64.6 -52.3 87.9 434 131 B H S S+ 0 0 65 1,-0.1 -1,-0.4 27,-0.1 5,-0.2 -0.975 80.8 93.0 177.7-169.5 68.1 -53.3 88.9 435 132 B K >> - 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