==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENDOCYTOSIS 08-FEB-11 3QNI . COMPND 2 MOLECULE: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN N . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.MENG,X.BAI,X.ZHENG . 539 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 87.4 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 . 2 0.4 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 0.2 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 . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 385 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 0 0 0 0 4 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 8 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 15 A T > 0 0 62 0, 0.0 3,-1.0 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 170.6 45.1 -4.4 73.9 2 16 A T T 3 + 0 0 120 1,-0.3 532,-0.0 532,-0.1 0, 0.0 0.523 360.0 56.6 -86.0 -11.3 48.5 -3.3 72.4 3 17 A D T 3 S+ 0 0 116 3,-0.0 -1,-0.3 7,-0.0 2,-0.2 0.037 83.0 129.2 -98.4 25.7 47.9 -2.3 68.7 4 18 A S S X S- 0 0 3 -3,-1.0 3,-1.0 1,-0.1 6,-0.3 -0.492 70.8-124.0 -79.2 150.4 45.2 0.2 69.9 5 19 A F T 3 S+ 0 0 0 524,-0.5 -1,-0.1 1,-0.2 6,-0.1 0.845 110.9 61.8 -55.1 -34.5 45.2 3.7 68.8 6 20 A W T 3 S+ 0 0 11 523,-0.2 -1,-0.2 527,-0.2 3,-0.1 0.744 82.8 93.1 -74.0 -24.5 45.3 4.7 72.4 7 21 A E S X S- 0 0 49 -3,-1.0 3,-0.8 -6,-0.2 4,-0.2 -0.242 96.5 -80.1 -59.6 153.9 48.7 3.0 73.2 8 22 A V T 3 S+ 0 0 70 1,-0.2 2,-0.5 2,-0.1 -1,-0.2 -0.266 112.1 8.3 -55.7 138.5 51.7 5.3 72.9 9 23 A G T > S+ 0 0 20 1,-0.1 3,-2.3 -3,-0.1 -1,-0.2 -0.032 92.2 108.9 88.6 -33.9 52.9 5.8 69.3 10 24 A N T X + 0 0 24 -3,-0.8 3,-0.9 -2,-0.5 4,-0.3 0.474 54.9 85.1 -66.4 0.7 50.0 4.1 67.5 11 25 A Y T >> + 0 0 22 1,-0.2 4,-1.6 -4,-0.2 3,-1.5 0.703 67.6 93.6 -68.7 -14.3 48.7 7.4 66.2 12 26 A K H <> S+ 0 0 130 -3,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.842 75.2 58.3 -37.6 -50.1 51.3 6.7 63.5 13 27 A R H <> S+ 0 0 67 -3,-0.9 4,-1.7 1,-0.3 -1,-0.3 0.813 104.1 49.8 -62.4 -34.1 48.7 5.1 61.3 14 28 A T H <> S+ 0 0 0 -3,-1.5 4,-0.6 -4,-0.3 -1,-0.3 0.849 112.3 49.0 -70.8 -33.1 46.6 8.2 61.2 15 29 A V H X S+ 0 0 12 -4,-1.6 4,-0.9 -3,-0.2 3,-0.4 0.856 110.2 50.8 -71.5 -34.1 49.7 10.2 60.3 16 30 A K H X S+ 0 0 118 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.857 97.1 65.9 -76.1 -31.8 50.6 7.8 57.6 17 31 A R H X S+ 0 0 7 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.820 96.4 61.9 -53.5 -31.2 47.2 7.9 56.0 18 32 A I H X S+ 0 0 5 -4,-0.6 4,-1.1 -3,-0.4 -1,-0.2 0.973 108.0 38.7 -62.6 -55.9 48.1 11.5 55.2 19 33 A D H >X S+ 0 0 66 -4,-0.9 4,-1.6 2,-0.2 3,-1.4 0.976 110.3 59.5 -55.7 -56.5 51.1 10.5 53.0 20 34 A D H 3X S+ 0 0 39 -4,-2.9 4,-3.3 1,-0.3 5,-0.3 0.893 98.8 61.6 -37.5 -51.3 49.2 7.6 51.6 21 35 A G H 3X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.3 0.883 103.4 48.8 -42.7 -49.8 46.7 10.2 50.4 22 36 A H H XX S+ 0 0 43 -3,-1.4 4,-1.7 -4,-1.1 3,-1.0 0.982 113.2 44.9 -59.4 -53.7 49.4 11.8 48.3 23 37 A R H 3X S+ 0 0 111 -4,-1.6 4,-3.2 1,-0.3 -2,-0.2 0.850 105.8 62.2 -62.9 -30.7 50.6 8.6 46.7 24 38 A L H 3X S+ 0 0 10 -4,-3.3 4,-2.6 -5,-0.3 -1,-0.3 0.869 101.4 52.4 -62.1 -33.7 47.0 7.6 46.0 25 39 A C H + 0 0 27 -2,-0.4 4,-0.8 4,-0.1 3,-0.2 -0.599 30.1 25.5-125.5 175.3 32.5 -0.1 -8.2 64 78 A G H >> S- 0 0 12 2,-0.2 4,-1.6 1,-0.2 3,-0.8 -0.096 112.2 -23.3 73.2-160.1 29.0 1.4 -7.8 65 79 A S H 3> S+ 0 0 12 181,-0.3 4,-3.4 1,-0.3 5,-0.3 0.928 134.7 57.7 -52.7 -49.9 26.9 1.5 -4.6 66 80 A L H 3> S+ 0 0 0 1,-0.3 4,-1.7 -3,-0.2 -1,-0.3 0.775 102.9 53.9 -65.5 -19.2 28.5 -1.6 -3.2 67 81 A E H X S+ 0 0 4 -4,-1.7 3,-2.1 -5,-0.3 4,-0.6 0.973 113.0 50.6 -52.6 -56.3 31.6 -1.2 1.7 71 85 A G H >X S+ 0 0 18 -4,-3.0 4,-1.5 1,-0.3 3,-0.7 0.772 96.2 72.4 -58.9 -26.2 33.7 1.9 2.0 72 86 A A H 3X S+ 0 0 14 -4,-1.9 4,-1.6 1,-0.2 -1,-0.3 0.828 87.0 62.9 -57.7 -33.8 31.2 3.2 4.4 73 87 A I H X S+ 0 0 2 -4,-1.6 4,-3.2 1,-0.3 3,-0.6 0.988 107.3 53.9 -61.2 -52.7 32.5 4.0 11.0 77 91 A A H 3X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.799 107.4 52.3 -42.1 -37.4 36.0 3.0 11.9 78 92 A D H 3X S+ 0 0 45 -4,-2.0 4,-2.4 -3,-0.3 -1,-0.2 0.936 112.9 42.5 -71.6 -40.5 37.1 6.6 11.6 79 93 A K H S+ 0 0 29 -4,-2.7 5,-2.2 -3,-0.5 4,-2.1 0.968 113.2 51.2 -67.2 -51.2 39.1 13.7 28.5 91 105 A L H <>S+ 0 0 1 -4,-2.6 5,-3.1 3,-0.2 6,-0.4 0.960 120.9 34.1 -40.5 -61.1 41.1 11.3 30.6 92 106 A L H <5S+ 0 0 52 -4,-3.0 5,-0.3 -5,-0.2 -2,-0.2 0.934 125.8 33.5 -72.3 -49.4 44.3 13.1 30.0 93 107 A N H <5S+ 0 0 104 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.2 0.634 132.4 22.5 -93.0 -8.2 43.4 16.8 29.8 94 108 A E T X5S+ 0 0 107 -4,-2.1 4,-1.9 -5,-0.4 -3,-0.2 0.724 127.7 33.1-116.9 -48.1 40.5 16.9 32.3 95 109 A D H > S+ 0 0 75 -6,-0.4 4,-2.8 -5,-0.3 -1,-0.2 0.913 105.8 56.3 -78.3 -38.4 44.6 17.3 35.3 98 112 A K H X S+ 0 0 59 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.919 113.3 39.3 -56.8 -50.7 41.9 17.7 37.9 99 113 A V H X S+ 0 0 3 -4,-2.1 4,-3.3 1,-0.2 5,-0.4 0.972 112.6 56.4 -68.1 -48.0 43.6 15.4 40.4 100 114 A K H X S+ 0 0 89 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.885 110.5 45.1 -51.0 -42.3 47.0 16.7 39.6 101 115 A N H X S+ 0 0 76 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.888 113.3 49.0 -70.4 -37.7 45.8 20.2 40.5 102 116 A W H X S+ 0 0 51 -4,-1.9 4,-2.0 -3,-0.2 3,-0.3 0.933 110.1 51.0 -59.8 -51.2 44.0 19.1 43.6 103 117 A Q H X S+ 0 0 23 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.870 109.2 54.3 -52.7 -38.6 47.0 17.2 44.8 104 118 A K H < S+ 0 0 132 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 0.868 111.3 41.8 -69.2 -36.5 49.0 20.4 44.2 105 119 A D H < S+ 0 0 132 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.734 117.9 48.8 -82.5 -18.1 46.7 22.5 46.3 106 120 A A H < S+ 0 0 14 -4,-2.0 2,-0.3 -5,-0.1 -2,-0.2 0.908 107.4 42.4 -90.0 -47.2 46.5 19.9 49.1 107 121 A Y < - 0 0 9 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.1 -0.806 62.7-162.9-105.8 145.7 50.0 18.7 49.9 108 122 A H - 0 0 78 -2,-0.3 8,-2.2 -3,-0.0 9,-0.1 -0.837 13.9-141.2-132.8 97.7 52.9 21.0 50.2 109 123 A K B -A 115 0A 148 -2,-0.4 2,-0.3 6,-0.2 6,-0.2 -0.221 18.9-137.7 -51.6 139.0 56.4 19.5 50.0 110 124 A Q > - 0 0 70 4,-2.0 3,-1.0 1,-0.1 -1,-0.1 -0.732 21.4-110.2-100.8 153.6 58.8 21.1 52.5 111 125 A I T 3 S+ 0 0 145 1,-0.3 2,-0.4 -2,-0.3 3,-0.1 0.850 114.8 34.5 -57.1 -37.6 62.3 22.0 51.5 112 126 A M T 3 S- 0 0 176 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 -0.570 127.2 -55.6-122.6 70.2 63.8 19.4 53.6 113 127 A G S < S+ 0 0 31 -3,-1.0 -1,-0.3 -2,-0.4 -2,-0.1 0.531 87.5 37.2 83.4 146.3 61.4 16.6 53.5 114 128 A G S S- 0 0 27 -3,-0.1 -4,-2.0 -5,-0.1 2,-0.4 0.338 79.2 -70.2 75.0 162.3 57.8 15.7 54.1 115 129 A F B >> -A 109 0A 26 -6,-0.2 4,-2.0 1,-0.1 3,-1.6 -0.745 33.1-127.4 -90.4 134.1 54.5 17.5 53.6 116 130 A K H 3> S+ 0 0 117 -8,-2.2 4,-2.1 -2,-0.4 -1,-0.1 0.859 112.4 52.7 -35.8 -43.1 53.5 20.5 55.8 117 131 A E H 3> S+ 0 0 31 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.753 103.4 52.9 -81.3 -20.7 50.3 18.6 56.5 118 132 A T H <> S+ 0 0 7 -3,-1.6 4,-2.5 2,-0.2 3,-0.4 0.960 110.7 48.7 -74.4 -48.3 51.9 15.4 57.6 119 133 A K H X S+ 0 0 99 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.866 101.7 63.6 -60.0 -40.9 54.0 17.3 60.2 120 134 A E H X S+ 0 0 117 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.942 111.5 37.5 -39.5 -57.3 51.0 19.2 61.4 121 135 A A H X S+ 0 0 8 -4,-1.1 4,-2.8 -3,-0.4 5,-0.3 0.881 111.9 56.6 -73.4 -38.3 49.5 16.0 62.6 122 136 A E H X S+ 0 0 40 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.947 114.5 42.7 -53.0 -46.4 52.8 14.4 63.8 123 137 A D H X S+ 0 0 86 -4,-3.2 4,-2.5 2,-0.2 5,-0.4 0.949 111.0 53.2 -67.9 -50.0 53.2 17.5 66.0 124 138 A G H X S+ 0 0 23 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.940 114.3 43.2 -45.3 -54.2 49.5 17.6 67.1 125 139 A F H X S+ 0 0 0 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.829 114.0 49.1 -68.2 -40.1 49.7 13.9 68.2 126 140 A R H >X S+ 0 0 135 -4,-2.2 4,-1.3 -5,-0.3 3,-0.8 0.962 115.6 43.8 -56.8 -56.9 53.2 14.2 69.9 127 141 A K H 3< S+ 0 0 171 -4,-2.5 -2,-0.2 1,-0.3 3,-0.2 0.829 114.0 50.6 -62.1 -36.6 52.3 17.3 71.8 128 142 A A H 3< S+ 0 0 9 -4,-2.2 -1,-0.3 -5,-0.4 66,-0.3 0.686 117.6 40.8 -74.6 -16.8 48.9 15.8 72.8 129 143 A Q H X S+ 0 0 157 -4,-1.3 4,-1.7 1,-0.2 3,-0.6 0.921 85.9 50.0 -62.7 -49.2 53.7 14.0 75.8 131 145 A P H 3> S+ 0 0 92 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.902 115.9 44.7 -56.7 -37.4 52.2 14.4 79.3 132 146 A W H 3> S+ 0 0 9 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.599 102.9 63.7 -84.1 -17.7 50.9 10.8 79.1 133 147 A A H X S+ 0 0 148 -4,-1.7 3,-2.7 2,-0.2 4,-2.6 0.997 111.4 48.7 -60.3 -67.6 55.7 10.5 81.0 135 149 A K H 3X S+ 0 0 50 -4,-1.8 4,-3.1 1,-0.3 5,-0.2 0.845 110.6 55.3 -43.4 -41.4 53.1 9.2 83.4 136 150 A M H 3X S+ 0 0 47 -4,-1.4 4,-1.3 2,-0.2 -1,-0.3 0.737 109.1 43.9 -68.5 -27.1 53.2 6.0 81.5 137 151 A K H < S+ 0 0 136 -4,-3.2 3,-0.6 -5,-0.4 4,-0.2 0.819 100.5 58.9 -53.7 -33.1 61.8 -9.9 97.7 153 167 A E H >< S+ 0 0 55 -4,-0.6 3,-0.7 -5,-0.2 -1,-0.2 0.900 103.5 49.8 -61.2 -51.7 59.2 -10.6 100.4 154 168 A K T 3< S+ 0 0 174 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.295 83.4 78.3 -84.6 11.0 58.6 -14.2 99.4 155 169 A L T < S+ 0 0 133 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.661 78.9 78.5 -89.7 -9.3 61.8 -16.0 99.0 156 170 A A < 0 0 63 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.859 360.0 360.0 -63.2 -42.0 62.2 -16.4 102.8 157 171 A M 0 0 226 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.426 360.0 360.0-127.9 360.0 59.9 -19.3 103.3 158 ! 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 0.0 159 192 A Q 0 0 150 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.2 60.3 -10.0 117.0 160 193 A D - 0 0 148 1,-0.0 3,-0.4 0, 0.0 0, 0.0 -0.791 360.0-109.3-126.0 160.6 60.9 -11.8 113.7 161 194 A K S S+ 0 0 178 -2,-0.3 2,-0.4 1,-0.2 3,-0.4 0.726 98.4 69.8 -62.9 -34.4 63.3 -11.2 110.7 162 195 A V > + 0 0 65 1,-0.2 4,-0.8 2,-0.1 -1,-0.2 -0.127 55.5 129.1 -82.6 32.5 61.0 -10.0 107.8 163 196 A D T >4 S+ 0 0 102 -3,-0.4 3,-1.1 -2,-0.4 4,-0.5 0.965 77.2 38.9 -52.8 -62.2 60.2 -6.6 109.3 164 197 A K G >>>S+ 0 0 117 -3,-0.4 4,-2.4 1,-0.2 3,-1.3 0.810 102.8 69.4 -60.8 -35.6 61.1 -4.6 106.1 165 198 A C G 345S+ 0 0 25 1,-0.3 -1,-0.2 2,-0.2 -12,-0.2 0.709 103.2 44.4 -60.9 -21.9 59.6 -7.1 103.5 166 199 A K G <<5S+ 0 0 162 -3,-1.1 -1,-0.3 -4,-0.8 4,-0.2 0.566 119.6 43.0 -98.6 -6.7 56.1 -6.3 104.6 167 200 A Q T <>5S+ 0 0 69 -3,-1.3 4,-2.3 -4,-0.5 -2,-0.2 0.810 101.6 55.0-105.2 -44.3 56.7 -2.5 104.7 168 201 A D H X5S+ 0 0 76 -4,-2.4 4,-2.6 1,-0.3 5,-0.4 0.952 105.0 61.8 -58.8 -33.8 58.7 -1.2 101.8 169 202 A V H > S+ 0 0 103 1,-0.2 4,-1.5 -4,-0.2 -1,-0.3 0.898 107.0 57.6 -61.6 -37.6 53.9 -0.4 101.7 171 204 A K H X S+ 0 0 133 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.936 119.7 24.3 -62.4 -46.6 56.4 2.2 100.5 172 205 A T H >X S+ 0 0 29 -4,-2.6 4,-2.4 2,-0.2 3,-1.0 0.929 113.7 63.1 -85.5 -46.3 56.1 1.6 96.8 173 206 A Q H 3X S+ 0 0 46 -4,-2.6 4,-2.9 -5,-0.4 5,-0.2 0.907 104.0 55.4 -44.3 -35.4 52.6 0.1 96.7 174 207 A E H 3X S+ 0 0 80 -4,-1.5 4,-2.3 -5,-0.4 -1,-0.3 0.939 111.6 41.7 -58.4 -45.6 51.8 3.6 98.0 175 208 A K H X S+ 0 0 4 -4,-3.0 3,-2.2 2,-0.2 4,-1.3 0.994 111.4 44.3 -51.1 -70.2 46.9 8.5 85.4 184 217 A G H >< S+ 0 0 41 -4,-1.9 3,-0.7 1,-0.3 -2,-0.2 0.842 111.4 55.8 -41.1 -49.5 43.1 7.9 85.7 185 218 A K H 3< S+ 0 0 136 -4,-2.9 -1,-0.3 1,-0.2 4,-0.2 0.757 115.6 36.4 -57.4 -31.8 42.7 11.6 86.7 186 219 A T H S+ 0 0 77 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.921 103.2 49.4 -60.4 -44.9 40.4 12.6 79.9 189 222 A Q H 3> S+ 0 0 124 -4,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.808 111.7 52.8 -55.9 -30.8 42.6 15.6 78.8 190 223 A Y H X S+ 0 0 13 -4,-2.0 4,-2.0 1,-0.2 3,-1.1 0.955 110.5 54.9 -61.0 -53.0 44.0 16.1 66.4 198 231 A F H 3X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.807 103.6 58.9 -51.5 -32.0 42.4 13.0 64.9 199 232 A E H 3X S+ 0 0 85 -4,-1.7 4,-2.4 2,-0.2 -1,-0.3 0.854 101.4 52.0 -68.7 -38.2 39.5 15.2 64.0 200 233 A Q H < - 0 0 12 -4,-1.6 3,-1.8 1,-0.2 -1,-0.1 -0.533 44.1-179.3 -84.7 104.1 30.9 5.9 28.6 225 258 A L G > S+ 0 0 6 -2,-0.9 3,-0.7 1,-0.3 6,-0.5 0.929 85.4 60.3 -67.8 -39.9 30.5 5.6 24.8 226 259 A A G 3 S+ 0 0 32 1,-0.3 -1,-0.3 275,-0.1 -2,-0.1 0.432 78.5 85.7 -67.8 5.2 26.7 5.3 25.3 227 260 A E G < S+ 0 0 90 -3,-1.8 2,-0.5 -6,-0.1 -1,-0.3 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-2,-0.2 0.866 109.4 53.3 -45.2 -52.2 30.7 -11.5 -37.0 407 147 B A H 3X S+ 0 0 29 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.902 110.9 48.3 -54.8 -41.3 34.4 -11.2 -36.2 408 148 B K H XX S+ 0 0 111 -4,-2.2 4,-1.6 -3,-0.5 3,-0.6 0.912 111.1 49.2 -65.8 -43.4 35.2 -13.1 -39.5 409 149 B K H 3X S+ 0 0 58 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.865 108.7 56.1 -61.0 -33.8 32.8 -10.9 -41.5 410 150 B M H 3X S+ 0 0 40 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.732 105.8 48.3 -75.1 -24.1 34.5 -7.9 -39.9 411 151 B K H X S+ 0 0 14 -4,-2.7 3,-1.8 2,-0.2 4,-1.4 0.986 99.6 55.8 -55.1 -68.5 37.3 -5.2 -48.9 417 157 B K H >X S+ 0 0 71 -4,-2.1 4,-3.6 1,-0.3 3,-0.8 0.829 106.9 50.8 -39.9 -48.6 37.3 -1.4 -48.2 418 158 B K H 3< S+ 0 0 109 -4,-1.4 -1,-0.3 2,-0.3 -2,-0.2 0.839 104.8 55.5 -62.5 -32.9 41.1 -1.1 -48.9 419 159 B A H << S+ 0 0 29 -3,-1.8 -1,-0.3 -4,-1.0 -2,-0.2 0.725 114.7 41.5 -70.2 -22.8 40.7 -2.9 -52.3 420 160 B Y H XX S+ 0 0 15 -4,-1.4 4,-1.6 -3,-0.8 3,-1.2 0.840 113.2 51.4 -82.7 -44.5 38.2 -0.2 -53.0 421 161 B H T 3< S+ 0 0 72 -4,-3.6 -2,-0.2 -5,-0.3 -3,-0.2 0.478 113.0 50.6 -64.4 -1.9 40.6 2.3 -51.3 422 162 B L T 34 S+ 0 0 117 -5,-0.3 -1,-0.2 3,-0.1 -2,-0.2 0.491 109.4 46.5-114.5 -12.7 43.1 0.7 -53.8 423 163 B A T <4 S+ 0 0 7 -3,-1.2 4,-0.3 2,-0.1 -2,-0.2 0.602 112.2 46.0-109.7 -17.1 41.0 1.1 -57.1 424 164 B C S >< S+ 0 0 22 -4,-1.6 3,-1.5 2,-0.2 4,-0.4 0.899 114.6 46.6 -81.5 -55.3 39.8 4.7 -56.8 425 165 B K T > S+ 0 0 121 -5,-0.3 3,-1.6 1,-0.3 4,-0.3 0.850 106.6 62.5 -52.4 -38.3 43.2 6.1 -55.8 426 166 B E T >> S+ 0 0 109 1,-0.3 4,-1.0 2,-0.2 3,-0.7 0.806 91.5 64.3 -52.1 -36.5 44.5 3.9 -58.7 427 167 B E H <> S+ 0 0 34 -3,-1.5 4,-0.7 -4,-0.3 -1,-0.3 0.680 85.6 83.3 -66.8 -16.3 42.4 6.1 -61.1 428 168 B K H <4 S+ 0 0 99 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.826 102.1 18.0 -54.3 -45.7 44.6 9.0 -60.1 429 169 B L H <4 S+ 0 0 166 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.1 0.760 131.4 41.4 -99.7 -36.4 47.6 8.6 -62.4 430 170 B A H < 0 0 50 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.426 360.0 360.0 -92.6 -2.1 46.4 6.3 -65.1 431 171 B M < 0 0 143 -4,-0.7 -1,-0.2 -5,-0.2 -3,-0.1 0.714 360.0 360.0 -53.8 360.0 43.1 8.2 -65.2 432 ! 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 0.0 433 196 B D > 0 0 144 0, 0.0 2,-2.4 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 147.7 42.1 1.0 -68.9 434 197 B K T 3 + 0 0 140 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.444 360.0 105.3 -75.7 61.9 40.6 -1.7 -66.7 435 198 B C T 3> S+ 0 0 4 -2,-2.4 4,-1.2 2,-0.1 3,-0.4 0.769 77.2 37.5-111.1 -47.8 40.2 1.1 -64.1 436 199 B K H <> S+ 0 0 130 -3,-0.6 4,-1.0 1,-0.2 -2,-0.1 0.610 117.3 56.9 -77.4 -13.2 36.5 2.1 -64.0 437 200 B Q H 4 S+ 0 0 84 -4,-0.3 -1,-0.2 2,-0.2 -3,-0.1 0.551 108.4 45.8 -85.3 -12.9 35.9 -1.7 -64.4 438 201 B D H > S+ 0 0 53 -3,-0.4 4,-1.6 2,-0.2 5,-0.2 0.617 109.1 53.0-106.1 -21.8 38.0 -2.4 -61.2 439 202 B V H X S+ 0 0 4 -4,-1.2 4,-2.7 -16,-0.2 5,-0.3 0.921 107.8 55.6 -63.9 -47.9 36.3 0.3 -59.3 440 203 B Q H < S+ 0 0 92 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.479 115.3 35.8 -70.6 -2.6 33.0 -1.4 -60.4 441 204 B K H > S+ 0 0 76 -3,-0.1 4,-1.9 3,-0.1 -1,-0.2 0.668 118.7 44.3-118.4 -31.1 34.1 -4.8 -58.9 442 205 B T H X S+ 0 0 18 -4,-1.6 4,-2.2 2,-0.2 -22,-0.2 0.825 114.5 54.5 -75.0 -30.6 36.0 -3.9 -55.7 443 206 B Q H X S+ 0 0 55 -4,-2.7 4,-2.3 -5,-0.2 -3,-0.2 0.820 112.0 42.7 -69.4 -32.2 33.2 -1.4 -55.0 444 207 B E H > S+ 0 0 115 -5,-0.3 4,-2.8 2,-0.2 5,-0.2 0.849 112.1 51.2 -87.3 -33.7 30.6 -4.2 -55.3 445 208 B K H X S+ 0 0 135 -4,-1.9 4,-3.1 2,-0.2 3,-0.5 1.000 117.0 42.9 -53.3 -64.8 32.6 -6.8 -53.4 446 209 B Y H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.913 115.2 48.5 -43.4 -56.0 32.9 -4.2 -50.7 447 210 B E H X S+ 0 0 73 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.849 114.7 46.8 -58.1 -35.8 29.3 -3.1 -51.1 448 211 B K H X S+ 0 0 129 -4,-2.8 4,-2.0 -3,-0.5 -1,-0.2 0.901 110.6 48.5 -74.7 -45.1 28.1 -6.7 -50.9 449 212 B V H X S+ 0 0 31 -4,-3.1 4,-1.6 2,-0.2 5,-0.2 0.919 113.2 51.8 -57.6 -41.5 30.2 -7.7 -47.9 450 213 B L H X S+ 0 0 39 -4,-2.8 4,-2.0 -5,-0.4 3,-0.5 0.938 107.0 51.1 -58.2 -48.0 28.8 -4.5 -46.3 451 214 B E H X S+ 0 0 89 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.879 109.0 54.7 -56.8 -34.6 25.3 -5.6 -47.2 452 215 B D H X S+ 0 0 49 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.750 103.7 49.2 -79.9 -30.4 26.1 -8.9 -45.5 453 216 B V H X S+ 0 0 5 -4,-1.6 4,-2.3 -3,-0.5 -1,-0.2 0.940 105.6 61.2 -67.1 -46.2 27.2 -7.7 -42.1 454 217 B G H < S+ 0 0 44 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.884 108.5 44.4 -42.6 -42.1 24.0 -5.6 -42.2 455 218 B K H < S+ 0 0 143 -4,-1.2 4,-0.3 1,-0.2 -1,-0.3 0.906 115.6 43.7 -73.6 -42.9 22.3 -9.0 -42.3 456 219 B T H X S+ 0 0 39 -4,-2.0 4,-2.2 1,-0.2 3,-0.4 0.599 93.3 86.9 -79.7 -9.9 24.4 -10.8 -39.6 457 220 B T H X S+ 0 0 23 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.878 81.9 51.7 -63.9 -42.2 24.3 -7.9 -37.2 458 221 B P H > S+ 0 0 77 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.818 113.6 45.0 -69.9 -26.0 21.0 -8.5 -35.4 459 222 B Q H > S+ 0 0 115 -3,-0.4 4,-3.3 -4,-0.3 5,-0.2 0.904 111.7 53.2 -72.4 -44.9 21.9 -12.1 -34.5 460 223 B Y H X S+ 0 0 5 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.884 113.5 44.6 -59.3 -38.6 25.4 -10.9 -33.5 461 224 B M H X S+ 0 0 64 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.952 112.2 49.6 -71.5 -47.2 23.7 -8.5 -31.3 462 225 B E H X S+ 0 0 129 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.921 111.2 51.9 -56.2 -41.4 21.1 -11.0 -29.9 463 226 B N H >X S+ 0 0 50 -4,-3.3 4,-1.4 1,-0.2 3,-1.0 0.935 109.8 45.4 -65.7 -50.0 23.9 -13.5 -29.2 464 227 B M H 3X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.3 0.921 105.5 63.6 -54.6 -44.4 26.1 -11.1 -27.2 465 228 B E H 3X S+ 0 0 66 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.746 104.0 49.0 -51.8 -26.7 23.0 -9.9 -25.3 466 229 B Q H X S+ 0 0 25 -4,-1.4 4,-2.3 2,-0.2 3,-0.7 0.981 117.5 50.3 -57.7 -52.1 26.1 -14.3 -22.6 468 231 B F H 3X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.3 -2,-0.2 0.893 109.3 49.9 -49.7 -49.4 26.2 -10.7 -21.2 469 232 B E H 3X S+ 0 0 79 -4,-1.3 4,-1.9 -5,-0.3 -1,-0.3 0.804 107.3 53.6 -63.9 -30.2 22.8 -11.1 -19.5 470 233 B Q H X S+ 0 0 18 -4,-2.7 4,-1.2 -5,-0.2 3,-0.9 0.969 110.4 48.6 -53.8 -48.7 27.5 -3.7 10.8 491 254 B R H >< S+ 0 0 119 -4,-2.4 3,-0.7 1,-0.3 -2,-0.2 0.919 108.8 50.8 -60.6 -44.2 25.5 -5.7 13.4 492 255 B H H 3< S+ 0 0 44 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.739 114.6 46.4 -67.6 -15.5 28.5 -7.5 14.8 493 256 B L H << S+ 0 0 5 -4,-1.6 2,-1.8 -3,-0.9 -1,-0.2 0.689 85.8 95.7 -92.7 -19.8 30.2 -4.2 15.1 494 257 B N S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.794 98.6 67.2 -56.1 -39.6 21.9 -3.5 26.2 500 263 B S H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 101.6 47.5 -57.5 -45.8 25.0 -5.0 27.7 501 264 B Y H > S+ 0 0 6 -3,-0.5 4,-0.9 -6,-0.4 3,-0.3 0.973 113.2 46.7 -58.3 -54.3 27.1 -2.1 26.7 502 265 B I H X S+ 0 0 58 -4,-1.4 4,-1.3 -7,-0.2 3,-0.3 0.843 113.3 53.9 -55.6 -32.5 24.6 0.5 27.9 503 266 B H H X S+ 0 0 100 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.865 93.5 64.2 -73.8 -37.9 24.4 -1.6 31.1 504 267 B V H X S+ 0 0 8 -4,-2.1 4,-1.5 -3,-0.3 -1,-0.2 0.834 109.9 42.6 -59.2 -26.0 28.0 -1.7 32.1 505 268 B Y H X S+ 0 0 4 -4,-0.9 4,-2.2 -3,-0.3 -1,-0.2 0.838 109.6 54.2 -90.2 -32.3 27.9 2.0 32.5 506 269 B R H X S+ 0 0 143 -4,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.962 116.1 42.9 -54.8 -47.9 24.6 2.1 34.3 507 270 B E H X S+ 0 0 87 -4,-3.3 4,-1.6 2,-0.2 -2,-0.2 0.807 111.6 51.4 -72.1 -33.8 26.2 -0.4 36.7 508 271 B L H X S+ 0 0 5 -4,-1.5 4,-2.0 -5,-0.3 5,-0.2 0.949 109.6 51.9 -66.5 -47.1 29.6 1.3 37.0 509 272 B E H X S+ 0 0 51 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.880 108.4 48.4 -58.6 -42.1 28.0 4.5 37.9 510 273 B Q H X S+ 0 0 133 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.866 107.9 55.7 -73.0 -33.7 25.8 3.2 40.6 511 274 B A H X S+ 0 0 35 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.888 110.7 45.4 -56.7 -44.3 28.7 1.3 42.2 512 275 B I H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.936 109.5 53.5 -68.7 -44.0 30.6 4.7 42.4 513 276 B R H 3< S+ 0 0 135 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.843 101.3 64.3 -57.0 -29.4 27.5 6.4 43.7 514 277 B G H 3< S+ 0 0 51 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.825 79.5 99.9 -60.2 -37.8 27.5 3.6 46.4 515 278 B A << - 0 0 3 -3,-1.0 2,-0.4 -4,-0.8 -177,-0.0 -0.256 59.4-159.5 -53.5 135.9 30.8 4.8 47.9 516 279 B D > - 0 0 61 1,-0.2 4,-1.6 2,-0.0 -177,-0.4 -0.981 17.2-161.6-125.6 122.9 30.5 6.9 51.1 517 280 B A H >> S+ 0 0 13 -2,-0.4 4,-1.3 1,-0.2 3,-0.7 0.980 98.0 48.4 -58.0 -55.2 33.2 9.3 52.3 518 281 B Q H 3> S+ 0 0 99 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.808 106.7 58.3 -58.2 -38.6 31.6 9.4 55.8 519 282 B E H 3> S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.887 107.8 44.8 -54.0 -46.3 31.4 5.6 55.8 520 283 B D H S+ 0 0 18 -4,-2.1 4,-2.4 1,-0.2 5,-1.5 0.924 111.5 58.1 -55.8 -44.1 39.0 4.0 60.0 525 288 B R H X5S+ 0 0 88 -4,-3.1 4,-1.4 1,-0.2 6,-1.1 0.947 113.9 34.6 -52.7 -53.7 37.9 5.6 63.2 526 289 B S H <5S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.752 125.2 40.0 -83.3 -20.0 36.8 2.4 64.9 527 290 B T H <5S+ 0 0 69 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.569 138.0 7.0 -99.9 -10.9 39.4 0.0 63.4 528 291 B S H <5S+ 0 0 13 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.526 119.2 54.6-146.7 -16.1 42.4 2.3 63.5 529 292 B G S ><