==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECEPTOR 10-NOV-05 2C6J . COMPND 2 MOLECULE: DUFFY RECEPTOR, ALPHA FORM; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM KNOWLESI; . AUTHOR S.K.SINGH,R.HORA,H.BELRHALI,C.CHITNIS,A.SHARMA . 265 5 6 3 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 71.7 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 0.8 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 . 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 . 16 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 47.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 1 2 2 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 1 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 K 0 0 192 0, 0.0 2,-0.7 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 177.2 61.9 47.0 104.9 2 16 A a - 0 0 22 29,-0.1 2,-0.1 30,-0.0 3,-0.1 -0.849 360.0-157.4 -94.0 110.9 59.7 43.9 104.3 3 17 A N - 0 0 112 -2,-0.7 2,-0.2 1,-0.1 3,-0.1 -0.363 31.8 -76.1 -87.5 166.6 57.5 44.5 101.2 4 18 A D - 0 0 103 1,-0.1 -1,-0.1 -2,-0.1 58,-0.1 -0.430 59.2-108.7 -61.0 126.3 54.1 42.9 100.2 5 19 A K - 0 0 21 56,-0.2 2,-0.3 -2,-0.2 -1,-0.1 -0.254 29.6-124.5 -60.4 143.5 54.8 39.4 98.9 6 20 A R - 0 0 55 19,-0.2 3,-0.2 1,-0.2 5,-0.1 -0.646 43.1 -75.6 -89.6 147.1 54.4 38.7 95.2 7 21 A K > - 0 0 114 -2,-0.3 3,-2.1 1,-0.2 2,-1.6 0.052 51.0-106.0 -37.3 135.3 52.1 36.0 93.9 8 22 A R T 3 S+ 0 0 56 1,-0.3 -1,-0.2 57,-0.2 4,-0.1 -0.535 115.7 35.0 -67.7 98.0 53.5 32.6 94.3 9 23 A G T 3 S+ 0 0 41 -2,-1.6 -1,-0.3 2,-0.3 3,-0.2 0.207 81.0 102.1 144.0 -19.2 54.3 32.2 90.6 10 24 A E S < S+ 0 0 121 -3,-2.1 2,-0.4 1,-0.2 -2,-0.1 0.847 98.2 23.2 -61.2 -35.5 55.3 35.7 89.4 11 25 A R S S- 0 0 137 -4,-0.5 14,-0.5 -5,-0.1 -2,-0.3 -0.991 85.0-140.4-133.9 123.9 58.9 34.7 89.5 12 26 A D - 0 0 35 -2,-0.4 11,-0.1 -3,-0.2 -3,-0.0 -0.146 44.0 -66.0 -75.0 175.9 60.0 31.1 89.3 13 27 A W - 0 0 12 11,-0.1 2,-0.3 1,-0.1 11,-0.2 0.080 54.8-136.7 -50.1 177.7 62.8 29.6 91.3 14 28 A D B -A 23 0A 72 9,-1.0 9,-3.0 -3,-0.1 -1,-0.1 -0.948 24.2-179.4-152.5 124.1 66.3 30.8 90.6 15 29 A b - 0 0 27 -2,-0.3 7,-0.2 7,-0.3 4,-0.1 -0.888 21.6-159.9-123.7 95.7 69.6 29.1 90.2 16 30 A P > - 0 0 41 0, 0.0 3,-1.1 0, 0.0 5,-0.2 -0.257 37.3-101.5 -72.4 166.3 72.3 31.7 89.6 17 31 A A T 3 S+ 0 0 82 1,-0.3 3,-0.1 3,-0.1 -2,-0.0 0.604 109.7 92.6 -61.2 -10.9 75.7 30.9 88.0 18 32 A E T 3 S- 0 0 145 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.384 85.8-153.2 -65.9 4.6 76.9 31.1 91.6 19 33 A K < + 0 0 168 -3,-1.1 -1,-0.2 -4,-0.1 -2,-0.0 0.156 59.8 83.3 51.5-175.7 76.2 27.3 91.5 20 34 A D S S+ 0 0 73 -3,-0.1 2,-0.1 -5,-0.1 -1,-0.1 0.667 94.2 4.1 58.8 15.6 75.2 25.3 94.6 21 35 A I - 0 0 16 -5,-0.2 2,-0.4 194,-0.0 198,-0.1 -0.383 56.4-122.6 160.5 165.7 71.4 25.9 94.9 22 36 A b - 0 0 0 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.3 -0.950 29.4-152.2-117.3 141.1 68.2 27.4 93.5 23 37 A I B -A 14 0A 9 -9,-3.0 -9,-1.0 -2,-0.4 2,-0.2 -0.886 8.4-127.5-120.5 148.9 66.1 29.7 95.6 24 38 A S >> - 0 0 4 -2,-0.3 3,-1.8 -11,-0.2 4,-1.4 -0.547 23.1-121.3 -89.0 155.6 62.4 30.6 95.7 25 39 A D T 34 S+ 0 0 26 -14,-0.5 -19,-0.2 1,-0.3 -1,-0.1 0.508 111.4 74.6 -70.3 -3.0 60.9 34.1 95.5 26 40 A R T 34 S+ 0 0 12 2,-0.1 -1,-0.3 1,-0.1 4,-0.2 0.762 100.9 40.1 -78.4 -25.0 59.4 33.1 98.9 27 41 A R T X4 S+ 0 0 24 -3,-1.8 3,-1.7 2,-0.2 -2,-0.2 0.866 101.5 64.2 -90.4 -44.7 62.9 33.6 100.4 28 42 A Y T 3< S+ 0 0 124 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.583 112.8 43.4 -57.5 -4.1 64.1 36.7 98.6 29 43 A Q T 3 S+ 0 0 23 -4,-0.1 -1,-0.3 -27,-0.1 -2,-0.2 0.526 78.3 137.0-114.3 -15.7 61.2 38.2 100.5 30 44 A L < - 0 0 8 -3,-1.7 2,-1.1 1,-0.2 -3,-0.1 -0.108 67.0-112.7 -41.6 113.3 61.7 36.6 103.8 31 45 A a + 0 0 2 1,-0.2 27,-0.2 23,-0.2 -1,-0.2 -0.319 60.2 147.9 -57.0 92.4 61.1 39.4 106.3 32 46 A M >> + 0 0 50 -2,-1.1 4,-2.0 -31,-0.1 3,-1.1 0.312 30.1 116.2-109.2 5.9 64.6 39.9 107.8 33 47 A K T 34 S+ 0 0 64 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.895 71.0 48.3 -37.9 -81.8 64.3 43.6 108.3 34 48 A E T >> S+ 0 0 30 1,-0.2 4,-1.7 16,-0.2 3,-0.6 0.712 114.4 51.7 -35.8 -32.0 64.5 43.9 112.1 35 49 A L T <4 S+ 0 0 20 -3,-1.1 2,-2.1 1,-0.2 -1,-0.2 0.986 102.1 53.7 -72.5 -62.6 67.6 41.6 112.0 36 50 A T T 3< S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.130 114.9 48.9 -61.7 29.4 69.6 43.4 109.4 37 51 A N T <4 0 0 105 -2,-2.1 -1,-0.2 -3,-0.6 -2,-0.2 0.536 360.0 360.0-131.8 -58.2 69.1 46.5 111.6 38 52 A L < 0 0 89 -4,-1.7 -2,-0.1 -3,-0.1 -3,-0.1 0.016 360.0 360.0 64.3 360.0 70.0 45.5 115.2 39 ! 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 40 64 A I > 0 0 99 0, 0.0 4,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-136.3 75.1 40.5 128.2 41 65 A T H >> + 0 0 112 1,-0.2 4,-2.1 2,-0.2 3,-0.6 0.878 360.0 69.5 -75.8 -41.2 71.9 38.5 128.3 42 66 A F H 3> S+ 0 0 131 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.824 91.8 61.8 -43.0 -39.5 70.0 41.6 127.3 43 67 A L H >> S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 3,-0.7 0.964 106.0 42.3 -53.0 -58.7 71.7 41.2 123.9 44 68 A K H S+ 0 0 2 -4,-1.6 5,-2.0 2,-0.2 6,-0.6 0.946 112.1 42.2 -52.4 -53.8 48.4 35.5 105.0 64 88 A K H ><5S+ 0 0 90 -4,-1.4 3,-2.3 3,-0.2 -2,-0.2 0.915 110.0 58.0 -60.8 -44.7 47.8 38.5 102.7 65 89 A K H 3<5S+ 0 0 29 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.937 108.1 46.8 -50.9 -47.3 50.0 36.9 100.0 66 90 A N T ><5S- 0 0 10 -4,-3.0 3,-0.9 -5,-0.1 -1,-0.3 -0.020 127.1-101.0 -86.6 29.8 47.6 34.0 100.1 67 91 A N T < 5 - 0 0 124 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.864 65.0 -67.3 54.8 46.5 44.6 36.2 100.0 68 92 A Y T 3 S- 0 0 51 -2,-0.5 4,-3.4 1,-0.0 5,-0.2 -0.898 76.4 -66.7-158.6-172.2 45.1 26.7 104.3 72 96 A K H > S+ 0 0 99 -2,-0.3 4,-3.6 2,-0.2 5,-0.1 0.833 124.9 51.7 -56.1 -40.0 47.8 24.2 103.5 73 97 A E H > S+ 0 0 53 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.965 112.8 45.6 -63.3 -52.5 49.7 26.7 101.3 74 98 A F H > S+ 0 0 1 -5,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.958 116.2 45.4 -52.5 -56.6 49.7 29.3 104.1 75 99 A c H X S+ 0 0 15 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.940 111.3 54.9 -53.6 -48.1 50.7 26.6 106.6 76 100 A K H X S+ 0 0 4 -4,-3.6 4,-2.4 -5,-0.2 -1,-0.2 0.903 109.4 45.0 -54.2 -45.8 53.3 25.4 104.2 77 101 A D H X S+ 0 0 1 -4,-3.0 4,-3.9 2,-0.2 5,-0.3 0.926 108.2 56.4 -66.4 -42.5 54.9 28.8 103.9 78 102 A I H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.938 110.7 47.1 -51.6 -46.2 54.7 29.4 107.6 79 103 A R H X S+ 0 0 65 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.935 112.8 47.7 -61.1 -47.3 56.7 26.2 107.9 80 104 A W H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.945 113.5 48.1 -59.6 -48.6 59.2 27.3 105.2 81 105 A G H X S+ 0 0 0 -4,-3.9 4,-3.0 1,-0.2 -2,-0.2 0.943 109.9 50.1 -57.5 -53.0 59.7 30.7 106.7 82 106 A L H X S+ 0 0 9 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.900 110.8 51.5 -52.5 -46.2 60.2 29.4 110.2 83 107 A G H X S+ 0 0 10 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.961 109.0 48.7 -58.3 -53.0 62.8 27.0 108.9 84 108 A D H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.922 109.5 53.4 -54.9 -43.7 64.7 29.6 107.0 85 109 A F H >X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 3,-1.2 0.963 109.4 50.2 -55.3 -49.8 64.7 31.8 110.2 86 110 A G H 3X S+ 0 0 2 -4,-2.7 4,-3.3 1,-0.3 3,-0.5 0.967 109.2 47.9 -51.9 -59.5 66.2 28.8 112.0 87 111 A D H 3< S+ 0 0 13 -4,-2.7 -1,-0.3 1,-0.3 6,-0.3 0.650 111.2 55.1 -59.4 -11.8 69.0 28.2 109.6 88 112 A I H << S+ 0 0 24 -3,-1.2 3,-0.4 -4,-1.0 -1,-0.3 0.871 114.9 36.5 -84.0 -44.4 69.6 31.9 109.7 89 113 A I H < S+ 0 0 10 -4,-2.3 -2,-0.2 -3,-0.5 -3,-0.2 0.959 117.1 50.2 -71.7 -55.2 70.0 31.9 113.5 90 114 A M S < S- 0 0 30 -4,-3.3 2,-0.7 -5,-0.2 -1,-0.2 0.414 104.8-133.8 -67.4 7.1 71.7 28.5 113.7 91 115 A G S S+ 0 0 24 -3,-0.4 2,-2.1 -5,-0.3 -1,-0.2 0.182 72.5 119.3 64.0 -21.0 74.1 29.9 111.0 92 116 A T + 0 0 83 -2,-0.7 63,-0.3 -6,-0.2 -1,-0.2 -0.193 40.3 117.7 -74.2 49.6 73.8 26.6 109.0 93 117 A N - 0 0 72 -2,-2.1 62,-0.1 -6,-0.3 -5,-0.1 0.451 44.1-168.1 -84.4-131.8 72.3 28.2 105.9 94 118 A M + 0 0 52 1,-0.2 -1,-0.1 61,-0.0 -2,-0.0 -0.063 46.6 110.1 172.0 -46.6 74.1 28.2 102.5 95 119 A E 0 0 20 1,-0.1 -1,-0.2 -73,-0.1 -2,-0.1 0.308 360.0 360.0 -44.1 171.9 72.2 30.7 100.3 96 120 A G 0 0 117 2,-0.0 -1,-0.1 3,-0.0 -2,-0.0 -0.638 360.0 360.0-105.5 360.0 73.5 34.1 99.1 97 ! 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 98 127 A V 0 0 120 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -96.2 74.1 40.8 103.0 99 128 A E > + 0 0 67 1,-0.1 4,-1.7 3,-0.1 5,-0.2 0.473 360.0 115.0 62.2 -1.8 76.0 38.6 105.5 100 129 A N H > S+ 0 0 52 1,-0.2 4,-3.0 2,-0.2 -1,-0.1 0.785 81.0 38.7 -66.9 -29.6 75.2 41.5 107.8 101 130 A N H > S+ 0 0 17 2,-0.2 4,-1.4 3,-0.2 -1,-0.2 0.631 110.9 60.4 -91.1 -19.6 73.0 39.2 109.8 102 131 A L H 4 S+ 0 0 65 2,-0.2 -2,-0.2 3,-0.1 -1,-0.1 0.789 120.7 27.3 -73.9 -28.7 75.6 36.5 109.3 103 132 A R H >X S+ 0 0 58 -4,-1.7 3,-3.0 2,-0.1 4,-2.7 0.841 117.1 56.8 -97.0 -52.6 77.9 38.9 111.1 104 133 A S H 3< S+ 0 0 46 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.906 107.6 52.4 -48.1 -43.0 75.5 40.8 113.3 105 134 A I T 3< S+ 0 0 18 -4,-1.4 -1,-0.3 1,-0.2 3,-0.3 0.642 111.7 47.7 -70.2 -11.2 74.5 37.4 114.7 106 135 A F T X4 S+ 0 0 38 -3,-3.0 3,-2.8 1,-0.2 2,-1.7 0.840 97.6 66.1 -93.2 -42.3 78.2 36.8 115.3 107 136 A G T 3< S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.1 -0.080 113.2 36.1 -72.5 37.8 79.0 40.1 117.0 108 137 A T T 3 S+ 0 0 55 -2,-1.7 -1,-0.3 1,-0.3 2,-0.3 0.113 121.3 45.3-170.9 11.1 76.7 39.0 119.8 109 138 A D S < S- 0 0 34 -3,-2.8 -1,-0.3 1,-0.3 5,-0.1 -0.971 93.6 -54.2-157.7 168.8 77.5 35.3 119.8 110 139 A E - 0 0 81 -2,-0.3 -1,-0.3 3,-0.2 -2,-0.2 0.372 19.9-161.4 -37.2 173.2 80.4 32.8 119.7 111 140 A K S S+ 0 0 202 1,-0.5 2,-0.3 -4,-0.1 -1,-0.1 0.176 88.8 31.8-138.7 -6.4 83.1 32.5 117.1 112 141 A A S S+ 0 0 74 1,-0.2 -1,-0.5 0, 0.0 3,-0.2 -0.951 125.5 15.5-155.5 135.1 83.8 28.9 118.1 113 142 A K S S- 0 0 166 -2,-0.3 2,-2.0 1,-0.2 -1,-0.2 0.992 72.5-169.6 58.9 60.8 81.4 26.4 119.5 114 143 A Q > + 0 0 91 1,-0.2 3,-0.6 -3,-0.1 -1,-0.2 -0.561 18.3 165.0 -82.0 75.6 78.4 28.4 118.3 115 144 A D T >> + 0 0 72 -2,-2.0 3,-1.4 1,-0.2 4,-0.7 0.003 32.7 124.5 -85.1 34.0 75.8 26.3 120.1 116 145 A R H 3> + 0 0 44 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.631 55.6 88.3 -63.0 -10.6 73.3 29.1 119.6 117 146 A K H <> S+ 0 0 123 -3,-0.6 4,-3.1 1,-0.2 5,-0.3 0.945 84.9 47.7 -50.6 -53.2 71.6 26.1 118.1 118 147 A Q H <> S+ 0 0 103 -3,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.881 107.6 56.4 -58.9 -40.9 70.1 25.4 121.5 119 148 A W H X S+ 0 0 28 -4,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.969 113.9 38.4 -56.6 -54.8 69.0 29.0 122.0 120 149 A W H < S+ 0 0 13 -4,-2.7 -2,-0.2 1,-0.3 4,-0.2 0.995 116.0 50.3 -58.5 -62.5 67.0 28.9 118.8 121 150 A N H >< S+ 0 0 85 -4,-3.1 3,-0.5 -5,-0.2 -1,-0.3 0.806 113.7 54.2 -44.6 -28.5 65.8 25.4 119.4 122 151 A E H >< S+ 0 0 118 -4,-2.1 2,-1.6 -5,-0.3 3,-0.8 0.965 118.8 23.8 -68.6 -84.9 65.0 26.8 122.8 123 152 A S T 3X S+ 0 0 30 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 -0.184 94.9 103.2 -78.4 46.1 62.8 29.8 122.1 124 153 A K H <> + 0 0 27 -2,-1.6 4,-1.6 -3,-0.5 -1,-0.2 0.724 65.7 66.8 -98.6 -25.7 61.6 28.6 118.6 125 154 A E H <> S+ 0 0 102 -3,-0.8 4,-2.0 -4,-0.3 -1,-0.1 0.793 106.1 48.5 -62.9 -23.9 58.1 27.5 119.6 126 155 A H H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.959 101.2 57.5 -79.7 -56.8 57.6 31.2 120.2 127 156 A I H X S+ 0 0 1 -4,-1.0 4,-0.8 1,-0.2 -2,-0.2 0.828 112.3 48.0 -41.0 -34.9 59.0 32.6 117.0 128 157 A W H >X S+ 0 0 17 -4,-1.6 3,-2.6 2,-0.2 4,-1.9 0.989 105.2 52.8 -69.9 -64.9 56.4 30.3 115.5 129 158 A R H 3< S+ 0 0 71 -4,-2.0 4,-0.5 1,-0.3 -2,-0.2 0.726 106.5 61.2 -41.8 -22.7 53.5 31.5 117.7 130 159 A A H 3< S+ 0 0 8 -4,-2.1 4,-0.5 2,-0.2 -1,-0.3 0.841 102.7 46.2 -75.5 -37.4 54.7 34.9 116.4 131 160 A M H << S+ 0 0 0 -3,-2.6 4,-0.5 -4,-0.8 3,-0.4 0.841 111.6 51.0 -74.3 -35.8 54.0 34.1 112.8 132 161 A M S X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.684 88.8 92.6 -75.6 -14.9 50.6 32.6 113.6 133 162 A F H > S+ 0 0 128 -4,-0.5 4,-2.9 -5,-0.4 -1,-0.2 0.885 82.4 46.7 -45.4 -57.6 49.8 35.8 115.5 134 163 A S H 4 S+ 0 0 9 -4,-0.5 4,-0.3 -3,-0.4 -1,-0.2 0.971 115.2 43.9 -50.9 -65.7 48.2 37.8 112.7 135 164 A L H >> S+ 0 0 7 -4,-0.5 4,-2.1 1,-0.2 3,-1.8 0.914 116.0 48.9 -44.7 -53.8 45.9 35.0 111.5 136 165 A R H 3X S+ 0 0 97 -4,-2.7 4,-1.2 1,-0.3 -1,-0.2 0.901 107.9 52.5 -57.3 -44.2 45.0 34.1 115.0 137 166 A S H 3< S+ 0 0 60 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.357 111.1 52.2 -75.9 9.3 44.2 37.6 116.1 138 167 A R H <4 S+ 0 0 111 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.2 0.741 112.4 38.2-110.1 -39.7 41.9 37.8 113.1 139 168 A L H >< S+ 0 0 54 -4,-2.1 3,-2.3 -5,-0.2 2,-1.6 0.752 83.7 176.5 -92.7 20.0 39.8 34.8 113.5 140 169 A K T 3< S+ 0 0 147 -4,-1.2 -1,-0.2 1,-0.3 -4,-0.0 -0.311 73.2 4.7 -9.2 -47.5 39.6 35.2 117.3 141 170 A E T 3 S+ 0 0 142 -2,-1.6 -1,-0.3 -3,-0.1 -2,-0.1 0.456 128.6 63.2-106.8 -26.0 37.3 32.6 118.7 142 171 A K S < S+ 0 0 109 -3,-2.3 -2,-0.2 -4,-0.1 -3,-0.0 0.385 74.8 125.6 -79.8 4.8 36.9 30.9 115.3 143 172 A F - 0 0 36 -7,-0.2 2,-0.3 -4,-0.1 -7,-0.0 -0.324 37.7-176.7 -63.1 149.2 40.6 30.1 115.1 144 173 A V - 0 0 86 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.820 31.9-116.2-155.2 110.3 41.3 26.4 114.5 145 174 A W + 0 0 110 -2,-0.3 3,-0.0 1,-0.2 -2,-0.0 -0.216 50.8 148.9 -47.6 99.7 44.7 24.7 114.5 146 175 A I + 0 0 76 -2,-0.4 2,-0.8 1,-0.1 -1,-0.2 0.353 46.4 91.9-115.0 2.4 45.0 23.4 110.9 147 176 A c S S- 0 0 12 -72,-0.1 2,-0.1 -73,-0.0 -1,-0.1 -0.859 79.5-130.4-102.5 104.7 48.7 23.8 110.7 148 177 A K - 0 0 124 -2,-0.8 2,-0.7 1,-0.1 -2,-0.1 -0.256 21.7-130.7 -52.6 119.0 50.4 20.5 111.7 149 178 A K + 0 0 107 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.650 52.7 135.3 -82.6 116.3 53.1 21.4 114.3 150 179 A D 0 0 100 -2,-0.7 -1,-0.2 0, 0.0 -2,-0.0 0.696 360.0 360.0-121.2 -46.0 56.5 19.7 113.5 151 180 A V 0 0 45 -27,-0.0 -26,-0.0 -26,-0.0 -68,-0.0 -0.017 360.0 360.0 39.2 360.0 59.2 22.4 114.0 152 ! 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 0.0 153 186 A P 0 0 114 0, 0.0 -70,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0-178.9 64.8 21.0 110.7 154 187 A Q - 0 0 67 -71,-0.1 3,-0.4 1,-0.1 -71,-0.0 0.691 360.0-120.4 95.8 111.4 67.2 20.7 107.7 155 188 A I S > S+ 0 0 6 1,-0.3 3,-2.0 -63,-0.3 2,-0.9 0.699 99.0 83.5 -52.4 -28.7 67.4 23.3 104.9 156 189 A Y T >> + 0 0 39 1,-0.3 3,-1.1 2,-0.2 4,-0.7 0.161 55.7 106.5 -65.9 26.5 66.5 21.0 102.0 157 190 A R H >> + 0 0 17 -2,-0.9 4,-2.4 -3,-0.4 3,-0.8 0.879 64.8 78.5 -64.9 -34.0 62.9 21.7 103.2 158 191 A W H <> S+ 0 0 6 -3,-2.0 4,-2.1 1,-0.3 -1,-0.3 0.734 83.7 56.8 -43.2 -33.2 63.3 23.6 99.9 159 192 A I H <> S+ 0 0 10 -3,-1.1 4,-3.0 2,-0.2 -1,-0.3 0.972 107.9 45.4 -69.0 -48.2 62.8 20.5 98.0 160 193 A R H X S+ 0 0 21 -4,-0.6 4,-2.8 -5,-0.2 3,-0.9 0.973 113.3 40.1 -74.4 -62.0 55.4 24.3 93.5 166 199 A Y H 3X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.3 3,-0.5 0.970 115.8 51.4 -48.7 -64.1 56.1 22.0 90.5 167 200 A M H 3< S+ 0 0 50 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.690 113.3 48.6 -47.9 -24.1 53.1 19.9 91.3 168 201 A S H <> S+ 0 0 70 -3,-0.9 4,-0.7 -5,-0.4 -1,-0.3 0.873 114.1 41.0 -86.5 -42.9 51.1 23.1 91.5 169 202 A E H >X S+ 0 0 33 -4,-2.8 4,-2.0 -3,-0.5 3,-0.8 0.918 98.7 77.5 -71.1 -44.0 52.2 24.6 88.2 170 203 A L H >X S+ 0 0 11 -4,-3.1 4,-2.4 1,-0.3 3,-0.8 0.820 97.2 41.6 -30.7 -68.7 52.2 21.4 86.2 171 204 A P H 3> S+ 0 0 73 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.867 112.4 56.3 -51.9 -40.9 48.3 21.2 85.7 172 205 A K H S+ 0 0 2 -4,-2.2 4,-0.6 1,-0.2 5,-0.6 0.980 111.1 49.0 -64.5 -56.0 48.9 23.9 76.4 178 211 A N H X5S+ 0 0 77 -4,-3.3 4,-0.5 1,-0.2 -1,-0.2 0.694 113.6 53.0 -56.7 -15.2 46.0 21.6 76.0 179 212 A E H <5S+ 0 0 148 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.855 111.6 39.5 -89.7 -39.5 44.0 24.7 75.5 180 213 A K H <5S+ 0 0 96 -4,-2.1 -2,-0.2 -3,-0.3 22,-0.2 0.163 130.0 27.2 -98.1 22.2 46.0 26.3 72.7 181 214 A d H <5S+ 0 0 7 -4,-0.6 -3,-0.2 -3,-0.1 -2,-0.1 0.516 79.6 119.3-144.8 -40.4 46.7 23.1 70.9 182 215 A A << - 0 0 56 -5,-0.6 2,-0.4 -4,-0.5 83,-0.0 -0.033 44.1-169.4 -39.4 132.8 44.0 20.6 71.4 183 216 A S - 0 0 34 1,-0.0 4,-0.2 -3,-0.0 6,-0.1 -0.986 27.7 -96.4-136.7 144.5 42.4 19.6 68.1 184 217 A K > - 0 0 123 -2,-0.4 3,-1.0 1,-0.1 4,-0.1 -0.082 52.7 -95.6 -48.7 156.0 39.4 17.7 67.0 185 218 A L T 3 S+ 0 0 187 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.507 119.8 56.7 -58.2 -7.0 40.1 14.1 66.1 186 219 A Y T 3 S+ 0 0 166 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.148 81.9 89.4-117.8 40.9 40.4 14.9 62.4 187 220 A Y S < S- 0 0 97 -3,-1.0 5,-0.4 -4,-0.2 4,-0.2 0.547 85.1-120.1-115.9 -6.7 43.1 17.5 62.4 188 221 A N >> - 0 0 108 -3,-0.2 3,-1.7 -4,-0.1 4,-1.5 0.976 18.1-139.2 63.7 79.9 46.5 15.9 62.1 189 222 A N H 3> S+ 0 0 34 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.804 98.7 64.1 -38.4 -42.7 48.2 17.0 65.2 190 223 A M H 3> S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.899 104.0 44.7 -55.0 -44.3 51.4 17.6 63.2 191 224 A A H <> S+ 0 0 41 -3,-1.7 4,-1.4 2,-0.2 3,-0.4 0.958 115.0 47.2 -65.0 -51.0 49.9 20.4 61.1 192 225 A I H < S+ 0 0 35 -4,-1.5 3,-0.3 -5,-0.4 -2,-0.2 0.895 107.5 59.5 -55.7 -42.0 48.2 22.0 64.1 193 226 A e H < S+ 0 0 0 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.863 106.4 46.4 -55.0 -42.2 51.6 21.8 66.0 194 227 A M H < S+ 0 0 126 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.775 92.3 94.1 -77.0 -26.9 53.4 23.8 63.4 195 228 A L S X S- 0 0 98 -4,-1.4 4,-1.2 -3,-0.3 5,-0.1 -0.243 89.4-102.2 -66.1 157.5 50.9 26.6 63.1 196 229 A P H >> S+ 0 0 94 0, 0.0 3,-1.8 0, 0.0 4,-1.4 0.925 107.3 59.2 -41.0 -77.9 51.3 29.8 65.2 197 230 A L H 34 S+ 0 0 117 1,-0.3 -2,-0.1 2,-0.2 -3,-0.0 -0.499 118.2 23.2 -69.6 82.8 48.8 29.3 68.0 198 231 A d H 3> S+ 0 0 0 -2,-1.1 4,-2.2 -4,-0.1 -1,-0.3 -0.166 111.8 70.8 159.9 -28.8 50.0 26.1 69.6 199 232 A H H X S+ 0 0 108 -4,-1.4 4,-3.0 2,-0.3 3,-1.6 0.965 117.7 53.7 -50.0 -58.5 54.5 29.1 70.8 201 234 A A H 3> S+ 0 0 18 -5,-0.4 4,-1.7 1,-0.3 -1,-0.3 0.923 111.2 46.4 -40.6 -51.9 52.1 27.7 73.3 202 235 A f H 3X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.3 0.734 110.8 54.0 -66.8 -21.7 54.1 24.4 72.9 203 236 A K H X S+ 0 0 60 -4,-3.2 4,-2.8 -5,-0.5 3,-1.6 0.981 108.8 39.2 -67.8 -60.1 63.0 22.9 80.9 211 244 A R H 3X S+ 0 0 90 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.699 108.5 66.3 -66.0 -13.3 63.7 25.2 83.9 212 245 A K H 3X S+ 0 0 0 -4,-1.5 4,-1.5 -5,-0.3 -1,-0.3 0.809 111.5 33.2 -76.1 -26.0 61.7 22.7 85.9 213 246 A K H < S+ 0 0 93 -4,-2.9 3,-0.9 -5,-0.2 -1,-0.2 0.936 111.2 54.0 -62.4 -42.6 72.7 16.9 93.1 222 255 A K H >X S+ 0 0 35 -4,-1.7 4,-3.1 -5,-0.4 3,-2.8 0.907 101.9 54.9 -56.5 -46.9 72.7 19.1 96.2 223 256 A F H 3X S+ 0 0 18 -4,-2.3 4,-1.0 1,-0.3 -1,-0.3 0.760 109.1 50.1 -59.7 -22.5 70.7 16.6 98.2 224 257 A S H << S+ 0 0 75 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.108 112.5 48.9-100.1 17.8 73.4 14.2 97.2 225 258 A S H X4 S+ 0 0 58 -3,-2.8 3,-0.6 -5,-0.1 -2,-0.2 0.619 109.0 47.8-118.0 -46.6 75.9 16.7 98.4 226 259 A V H 3< S+ 0 0 37 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.869 101.5 64.9 -66.1 -37.5 74.5 17.5 101.8 227 260 A K T 3< S+ 0 0 100 -4,-1.0 2,-3.5 -5,-0.3 -1,-0.2 0.836 80.5 86.2 -55.8 -30.7 74.0 13.9 102.7 228 261 A K < 0 0 175 -3,-0.6 -1,-0.2 -5,-0.0 -4,-0.0 -0.328 360.0 360.0 -69.2 63.3 77.8 13.7 102.6 229 262 A T 0 0 168 -2,-3.5 -4,-0.0 0, 0.0 -3,-0.0 -0.857 360.0 360.0-170.3 360.0 78.0 14.8 106.2 230 ! 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 0.0 231 269 A N 0 0 199 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.7 68.1 8.1 109.2 232 270 A I + 0 0 154 2,-0.0 2,-0.0 1,-0.0 0, 0.0 0.992 360.0 76.7 58.0 75.9 65.4 10.4 107.8 233 271 A A + 0 0 23 1,-0.0 2,-0.3 4,-0.0 3,-0.1 0.014 43.6 155.8 152.0 97.3 66.7 11.0 104.2 234 272 A T > - 0 0 90 1,-0.4 3,-1.9 -3,-0.0 4,-0.1 -0.862 59.5 -61.6-144.1 106.5 66.4 8.6 101.2 235 273 A A G > S- 0 0 52 -2,-0.3 3,-0.8 1,-0.3 -1,-0.4 0.042 102.2 -38.0 48.8-167.3 66.5 9.6 97.5 236 274 A Y G >> S+ 0 0 51 1,-0.3 4,-2.2 2,-0.1 3,-0.7 0.159 100.6 120.8 -76.4 29.2 63.6 11.9 96.5 237 275 A D G <4 + 0 0 67 -3,-1.9 4,-0.4 1,-0.3 -1,-0.3 0.630 62.9 77.0 -62.4 -8.9 61.4 9.9 98.8 238 276 A I G X4 S+ 0 0 13 -3,-0.8 3,-1.8 2,-0.2 -1,-0.3 0.992 100.4 34.4 -61.6 -59.6 61.1 13.4 100.2 239 277 A L G X> S+ 0 0 5 -3,-0.7 3,-2.9 1,-0.3 4,-0.7 0.905 110.3 65.6 -59.6 -41.4 58.8 14.3 97.3 240 278 A K G 3< S+ 0 0 55 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.645 109.0 40.9 -55.4 -13.9 57.5 10.8 97.5 241 279 A Q G <4 S+ 0 0 148 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.311 101.4 73.4-117.8 7.4 56.2 11.9 100.9 242 280 A E T <4 S+ 0 0 14 -3,-2.9 2,-0.3 1,-0.2 -2,-0.2 0.588 96.7 11.8-103.1 -10.2 55.0 15.4 100.2 243 281 A L S < S- 0 0 65 -4,-0.7 3,-0.2 -80,-0.0 -1,-0.2 -0.972 90.6 -62.2-167.2 172.1 51.7 15.1 98.2 244 282 A N S S- 0 0 169 -2,-0.3 -4,-0.0 1,-0.2 0, 0.0 0.210 106.7 -14.7 -33.0 -47.3 48.9 12.9 96.9 245 283 A G + 0 0 56 -2,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.671 68.9 166.1-140.4 6.1 50.4 10.3 94.8 246 284 A F + 0 0 19 -3,-0.2 4,-0.3 1,-0.1 5,-0.1 -0.437 6.0 173.1 -20.7 -86.9 54.0 10.7 93.4 247 285 A K >> - 0 0 154 -2,-0.3 4,-1.3 2,-0.1 3,-0.7 0.869 36.8-131.4 70.1 104.7 55.9 7.9 91.9 248 286 A E H 3> S+ 0 0 73 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.730 99.2 79.8 -56.5 -21.0 59.2 9.0 90.4 249 287 A A H 3> S+ 0 0 45 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.961 100.8 31.4 -51.2 -62.7 58.1 7.0 87.3 250 288 A T H <> S+ 0 0 68 -3,-0.7 4,-2.5 -4,-0.3 -1,-0.2 0.774 115.4 60.8 -69.6 -26.8 55.8 9.7 86.0 251 289 A F H X S+ 0 0 2 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.884 103.4 52.7 -66.6 -37.3 58.0 12.5 87.4 252 290 A E H X S+ 0 0 71 -4,-2.7 4,-1.6 2,-0.2 6,-0.3 0.984 113.7 38.9 -62.0 -59.4 60.8 11.2 85.2 253 291 A N H ><>S+ 0 0 62 -4,-1.6 5,-2.2 2,-0.2 6,-0.9 0.943 114.6 56.6 -57.3 -49.2 58.9 11.3 81.9 254 292 A E H ><5S+ 0 0 33 -4,-2.5 3,-1.5 1,-0.3 5,-0.4 0.944 113.5 37.2 -46.8 -61.6 57.2 14.5 82.8 255 293 A I H 3<5S+ 0 0 11 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.659 113.2 58.4 -69.9 -15.9 60.4 16.4 83.4 256 294 A N T <<5S- 0 0 55 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.256 110.8-117.5 -95.5 12.4 62.2 14.7 80.5 257 295 A K T < 5S+ 0 0 49 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.715 88.2 118.6 59.1 19.3 59.6 15.9 78.0 258 296 A R < + 0 0 135 -5,-2.2 -4,-0.2 -6,-0.3 -5,-0.2 0.305 40.3 135.0 -93.3 5.0 58.9 12.2 77.6 259 297 A D > - 0 0 20 -6,-0.9 4,-1.4 -5,-0.4 -8,-0.0 -0.140 60.8-133.0 -50.2 149.9 55.5 13.0 78.8 260 298 A N H > S+ 0 0 140 2,-0.2 4,-0.5 1,-0.1 -1,-0.1 0.951 103.4 45.9 -73.5 -52.2 52.6 11.4 76.7 261 299 A L H >> S+ 0 0 47 2,-0.2 4,-2.9 1,-0.2 3,-1.1 0.909 112.7 48.7 -58.0 -48.5 50.5 14.5 76.5 262 300 A Y H 3> S+ 0 0 9 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.964 112.4 49.3 -58.4 -49.8 53.4 16.8 75.5 263 301 A N H 3< S+ 0 0 81 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.547 116.5 44.5 -66.9 -7.8 54.5 14.3 72.9 264 302 A H H << S+ 0 0 100 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.836 110.0 47.3-100.3 -47.7 51.0 14.2 71.6 265 303 A L H < S+ 0 0 8 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.769 130.1 13.7 -66.4 -27.7 49.8 17.7 71.5 266 304 A f < + 0 0 0 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.1 -0.677 55.7 154.5-161.4 103.5 52.9 18.8 69.8 267 305 A P + 0 0 47 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.308 55.0 100.8-101.3 -3.0 55.6 16.7 68.2 268 306 A e 0 0 35 -79,-0.1 -78,-0.0 -78,-0.1 -2,-0.0 0.146 360.0 360.0 -75.0 30.2 56.8 19.3 65.8 269 307 A V 0 0 76 -2,-0.1 -3,-0.1 -3,-0.1 -75,-0.0 -0.990 360.0 360.0-146.2 360.0 59.6 19.8 68.3