==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 25-JAN-11 3QHB . COMPND 2 MOLECULE: SYMERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CYANOPHORA PARADOXA; . AUTHOR R.B.COOLEY,D.J.ARP,P.A.KARPLUS . 358 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16851.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 78.2 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 . 0 0.0 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 . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.4 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 0 0 2 0 0 0 0 4 0 0 0 2 0 2 0 0 2 0 0 0 2 0 0 0 0 2 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 . 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 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 2 A G 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.3 2.2 -0.2 2.0 2 3 A L - 0 0 125 1,-0.1 3,-0.0 2,-0.1 0, 0.0 0.748 360.0-134.6 -61.6 -32.4 5.7 1.9 1.5 3 4 A N S S+ 0 0 152 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.423 74.0 35.9 95.5 -12.8 6.7 0.8 5.0 4 5 A Y S S- 0 0 144 335,-0.0 2,-0.7 339,-0.0 -2,-0.1 -0.934 82.6-106.6-153.0 160.3 8.0 4.3 6.1 5 6 A N - 0 0 51 -2,-0.3 2,-0.1 -3,-0.0 338,-0.0 -0.879 43.1-129.0 -87.4 121.4 7.2 8.0 5.7 6 7 A Q - 0 0 118 -2,-0.7 2,-0.2 1,-0.1 3,-0.1 -0.385 18.2-121.1 -59.9 142.0 9.9 9.4 3.4 7 8 A E - 0 0 80 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.571 44.1 -88.5 -78.3 148.3 11.7 12.4 4.6 8 9 A D > - 0 0 20 -2,-0.2 3,-2.5 1,-0.1 -1,-0.1 -0.225 56.4 -75.3 -57.9 149.5 11.3 15.4 2.3 9 10 A F G > S- 0 0 44 1,-0.3 3,-1.9 2,-0.2 4,-0.2 -0.158 115.3 -5.0 -39.9 125.5 13.7 16.0 -0.6 10 11 A M G 3 S- 0 0 54 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.566 115.3 -81.8 58.4 15.9 17.0 17.4 0.7 11 12 A G G X S+ 0 0 5 -3,-2.5 3,-1.9 1,-0.1 -1,-0.3 0.723 83.8 149.3 68.9 20.4 15.7 17.6 4.3 12 13 A L G X + 0 0 0 -3,-1.9 3,-1.5 1,-0.3 4,-0.2 0.765 61.0 66.3 -66.8 -23.1 14.0 20.9 3.4 13 14 A D G > S+ 0 0 50 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.781 87.0 69.7 -64.3 -25.8 11.2 20.3 5.8 14 15 A R G < S+ 0 0 124 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.544 77.9 80.3 -75.5 -1.4 13.6 20.6 8.7 15 16 A F G < S+ 0 0 0 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.3 0.736 72.3 96.5 -67.6 -27.3 14.0 24.3 8.0 16 17 A F < - 0 0 25 -3,-1.6 2,-0.4 -4,-0.2 107,-0.1 -0.585 56.5-177.2 -68.6 128.5 10.7 24.7 9.9 17 18 A Q - 0 0 34 -2,-0.4 2,-0.4 18,-0.1 22,-0.1 -0.984 10.5-152.3-128.5 132.8 11.3 25.7 13.5 18 19 A D - 0 0 44 -2,-0.4 108,-0.0 111,-0.0 2,-0.0 -0.867 21.7-111.9-104.9 140.2 8.7 26.2 16.2 19 20 A A - 0 0 3 -2,-0.4 2,-0.4 1,-0.1 13,-0.1 -0.354 37.5-115.3 -63.0 147.5 8.8 28.4 19.2 20 21 A V - 0 0 81 7,-0.2 2,-0.3 8,-0.1 11,-0.2 -0.718 24.7-122.6 -90.0 133.2 8.9 26.5 22.5 21 22 A S + 0 0 76 -2,-0.4 2,-0.3 10,-0.1 -1,-0.0 -0.627 35.2 169.8 -75.6 137.7 5.9 26.8 25.0 22 23 A H - 0 0 71 -2,-0.3 6,-0.1 2,-0.1 0, 0.0 -0.870 43.8-118.7-136.5 165.8 6.6 28.0 28.6 23 24 A N S S+ 0 0 125 -2,-0.3 2,-0.5 1,-0.1 -2,-0.0 0.719 96.8 68.4 -71.8 -26.5 4.4 29.0 31.5 24 25 A N S >> S- 0 0 52 1,-0.1 4,-1.8 121,-0.0 3,-0.6 -0.862 73.8-143.6-108.7 134.4 5.9 32.5 31.5 25 26 A T H 3> S+ 0 0 3 -2,-0.5 4,-2.8 1,-0.3 5,-0.2 0.825 99.3 61.3 -65.9 -32.3 5.2 35.0 28.7 26 27 A D H 3> S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.900 107.6 45.9 -58.7 -41.5 8.8 36.5 28.9 27 28 A A H <> S+ 0 0 20 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.858 110.9 51.7 -71.1 -37.0 10.1 33.1 28.0 28 29 A N H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.913 110.8 49.7 -64.0 -40.2 7.5 32.7 25.2 29 30 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.926 109.6 51.3 -60.2 -45.9 8.6 36.1 23.9 30 31 A A H X S+ 0 0 20 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.912 111.6 46.4 -59.3 -43.0 12.2 35.0 24.0 31 32 A S H X S+ 0 0 9 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.898 112.9 49.9 -65.6 -43.1 11.5 31.8 22.0 32 33 A S H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.914 109.4 51.0 -60.6 -47.0 9.5 33.7 19.5 33 34 A I H X S+ 0 0 9 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.931 110.7 50.8 -55.4 -46.2 12.2 36.3 19.0 34 35 A E H X S+ 0 0 21 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.938 115.7 39.5 -54.9 -52.8 14.7 33.5 18.5 35 36 A V H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.925 115.2 51.6 -69.5 -43.5 12.6 31.7 15.8 36 37 A E H X S+ 0 0 1 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.903 111.0 48.6 -63.5 -40.9 11.4 34.9 14.1 37 38 A M H X S+ 0 0 57 -4,-2.6 4,-3.1 -5,-0.3 5,-0.3 0.862 109.0 53.3 -65.8 -39.0 15.0 36.2 13.8 38 39 A Y H X>S+ 0 0 1 -4,-1.7 4,-2.3 -5,-0.3 5,-2.2 0.915 111.6 45.6 -58.2 -42.6 16.1 32.8 12.4 39 40 A E H <>S+ 0 0 0 -4,-2.5 5,-2.2 3,-0.2 -2,-0.2 0.909 117.3 44.5 -69.6 -39.1 13.3 33.0 9.8 40 41 A C H <5S+ 0 0 28 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.932 125.6 31.8 -61.3 -50.2 14.3 36.7 9.0 41 42 A D H <5S+ 0 0 88 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.752 137.8 3.4 -75.1 -40.9 18.1 36.0 9.0 42 43 A C T X5S+ 0 0 26 -4,-2.3 4,-1.7 -5,-0.3 -3,-0.2 0.780 119.0 49.3-126.6 -59.8 18.4 32.5 7.7 43 44 A M H > S+ 0 0 45 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.888 110.1 49.0 -61.3 -36.9 16.7 34.4 2.7 46 47 A T H X S+ 0 0 5 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.925 110.6 48.6 -67.3 -43.8 17.7 30.9 1.8 47 48 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.902 109.3 54.5 -59.0 -38.4 14.2 30.2 0.3 48 49 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.892 108.5 48.7 -61.0 -45.6 14.6 33.4 -1.6 49 50 A E H X S+ 0 0 62 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.897 108.9 52.3 -64.1 -41.0 17.9 32.2 -3.1 50 51 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.939 111.5 48.3 -56.6 -48.4 16.4 28.9 -4.0 51 52 A A H <>S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 3,-0.2 0.931 113.1 45.5 -58.7 -49.2 13.6 30.8 -5.8 52 53 A R H ><5S+ 0 0 86 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.918 113.4 49.3 -60.7 -47.3 16.0 33.1 -7.7 53 54 A R H 3<5S+ 0 0 145 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.802 106.9 57.5 -69.6 -17.6 18.3 30.2 -8.7 54 55 A S T 3<5S- 0 0 34 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.339 124.0-104.7 -86.1 0.7 15.3 28.3 -9.9 55 56 A G T < 5S+ 0 0 56 -3,-1.6 -3,-0.2 -4,-0.1 -2,-0.1 0.788 88.0 120.5 77.9 33.8 14.4 31.2 -12.3 56 57 A Q >< + 0 0 65 -5,-2.8 4,-2.2 -6,-0.2 3,-0.3 -0.592 24.7 160.7-127.1 67.5 11.5 32.4 -10.1 57 58 A P H > S+ 0 0 89 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.835 72.4 56.8 -63.8 -36.5 12.4 36.0 -9.2 58 59 A E H > S+ 0 0 162 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.927 109.2 46.3 -59.4 -47.2 8.9 37.1 -8.2 59 60 A I H > S+ 0 0 9 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.908 110.5 55.0 -63.9 -37.8 8.7 34.3 -5.6 60 61 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.923 105.9 50.9 -59.5 -42.6 12.2 35.3 -4.4 61 62 A A H X S+ 0 0 55 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.839 107.8 54.1 -61.9 -40.0 11.0 38.8 -3.9 62 63 A M H X S+ 0 0 30 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.938 108.3 48.1 -58.1 -49.4 8.0 37.5 -1.9 63 64 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.894 110.3 51.9 -60.8 -37.7 10.3 35.5 0.4 64 65 A D H X S+ 0 0 63 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.902 110.7 48.8 -62.2 -39.4 12.5 38.6 0.9 65 66 A A H X S+ 0 0 42 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.914 112.0 47.9 -67.5 -46.2 9.4 40.6 1.8 66 67 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 3,-0.3 0.921 106.8 58.1 -59.8 -45.3 8.2 38.0 4.3 67 68 A A H X S+ 0 0 6 -4,-2.5 4,-1.8 1,-0.3 -2,-0.2 0.910 104.6 50.5 -52.2 -46.9 11.7 37.8 5.8 68 69 A K H X S+ 0 0 155 -4,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.894 108.8 52.4 -60.0 -39.3 11.6 41.5 6.7 69 70 A E H X S+ 0 0 34 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.846 103.1 56.9 -67.8 -34.3 8.2 41.1 8.3 70 71 A E H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.920 106.5 51.0 -60.0 -42.9 9.5 38.2 10.5 71 72 A G H X S+ 0 0 5 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.905 106.4 55.0 -60.3 -39.3 12.1 40.7 11.8 72 73 A M H X S+ 0 0 109 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.893 106.1 51.3 -58.3 -44.2 9.3 43.2 12.5 73 74 A H H X S+ 0 0 11 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.939 112.0 46.4 -58.2 -48.1 7.6 40.6 14.6 74 75 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.907 111.1 52.2 -60.1 -43.8 10.8 40.0 16.6 75 76 A Q H X S+ 0 0 138 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.821 105.0 55.0 -68.1 -30.6 11.4 43.7 17.0 76 77 A L H X S+ 0 0 65 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.943 111.6 44.6 -62.2 -47.3 8.0 44.3 18.4 77 78 A L H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.892 110.7 54.3 -67.3 -36.6 8.6 41.7 21.1 78 79 A T H < S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.860 104.8 54.5 -61.7 -40.1 12.1 43.1 21.8 79 80 A K H < S+ 0 0 174 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.883 110.4 46.3 -59.0 -39.9 10.6 46.5 22.4 80 81 A L H < S+ 0 0 64 -4,-1.4 2,-0.3 1,-0.3 -2,-0.2 0.772 123.0 33.9 -75.6 -28.3 8.3 45.0 24.9 81 82 A Y S >< S+ 0 0 46 -4,-1.7 3,-1.3 -5,-0.1 -1,-0.3 -0.707 74.9 171.7-123.3 70.7 11.0 42.9 26.7 82 83 A S T 3 S+ 0 0 82 -3,-0.5 -1,-0.1 -2,-0.3 -2,-0.1 0.628 72.4 47.2 -62.1 -22.7 14.0 45.4 26.2 83 84 A E T 3 S+ 0 0 167 2,-0.1 -1,-0.2 -4,-0.0 -4,-0.1 0.419 78.4 128.0-101.9 -1.6 16.4 43.5 28.5 84 85 A L < - 0 0 59 -3,-1.3 2,-0.8 -6,-0.2 -3,-0.1 -0.291 48.7-148.3 -65.5 133.3 16.0 39.9 27.2 85 86 A E - 0 0 154 2,-0.0 2,-0.5 -2,-0.0 -1,-0.1 -0.895 18.2-163.9-103.2 104.9 19.1 38.0 26.2 86 87 A V - 0 0 54 -2,-0.8 2,-0.4 -53,-0.0 -55,-0.1 -0.760 8.9-178.0 -95.5 128.2 18.0 35.7 23.5 87 88 A K - 0 0 145 -2,-0.5 2,-0.3 -57,-0.0 -53,-0.1 -0.969 33.3-102.9-125.7 147.9 20.3 32.7 22.5 88 89 A D - 0 0 57 -2,-0.4 -57,-0.0 4,-0.1 2,-0.0 -0.504 36.2-137.4 -70.4 127.1 19.9 30.2 19.9 89 90 A S > - 0 0 38 -2,-0.3 4,-2.7 -58,-0.1 5,-0.2 -0.202 31.7 -95.6 -70.7 168.6 18.8 26.8 21.2 90 91 A A H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.865 127.2 52.7 -50.9 -43.2 20.3 23.5 20.0 91 92 A E H > S+ 0 0 114 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 108.7 48.0 -70.6 -38.4 17.5 23.1 17.5 92 93 A T H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.924 111.3 51.3 -65.7 -37.8 18.1 26.6 16.0 93 94 A L H X S+ 0 0 79 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.910 110.3 49.3 -63.5 -41.3 21.8 25.9 15.8 94 95 A E H X S+ 0 0 91 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.904 110.1 50.8 -61.4 -41.1 21.0 22.6 14.0 95 96 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.913 108.4 51.8 -65.7 -40.6 18.7 24.4 11.6 96 97 A K H X S+ 0 0 62 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.871 109.2 51.3 -64.2 -36.2 21.4 27.0 10.8 97 98 A R H X S+ 0 0 133 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.899 109.3 49.5 -63.2 -42.8 23.8 24.2 10.1 98 99 A L H X S+ 0 0 16 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.912 107.8 55.0 -63.4 -47.4 21.2 22.7 7.7 99 100 A V H X S+ 0 0 10 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.947 107.1 50.3 -51.3 -41.2 20.8 26.0 6.0 100 101 A S H X S+ 0 0 64 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.901 107.5 52.2 -72.5 -28.7 24.5 26.2 5.4 101 102 A T H X S+ 0 0 67 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.904 110.8 48.6 -73.1 -32.8 24.6 22.7 3.9 102 103 A I H >< S+ 0 0 1 -4,-2.3 3,-0.9 2,-0.2 7,-0.2 0.927 108.5 54.8 -69.9 -38.5 21.8 23.7 1.5 103 104 A E H >< S+ 0 0 58 -4,-2.8 3,-1.3 1,-0.3 4,-0.2 0.869 104.8 51.9 -59.5 -35.8 23.6 26.8 0.6 104 105 A S H 3< S+ 0 0 107 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.738 119.0 37.6 -79.4 -8.7 26.7 24.9 -0.4 105 106 A Q T + 0 0 17 -3,-1.3 4,-2.6 1,-0.2 5,-0.3 0.852 67.0 54.7 -57.4 -37.9 22.2 25.5 -3.9 107 108 A D H > S+ 0 0 121 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.947 111.7 43.6 -58.3 -45.8 22.7 24.9 -7.5 108 109 A A H > S+ 0 0 57 -3,-0.3 4,-1.0 1,-0.2 -2,-0.2 0.881 113.2 52.2 -65.2 -40.0 21.5 21.2 -7.3 109 110 A V H < S+ 0 0 0 -4,-2.2 6,-0.6 -7,-0.2 3,-0.4 0.928 114.2 42.3 -60.7 -49.6 18.6 22.1 -5.0 110 111 A A H < S+ 0 0 9 -4,-2.6 -1,-0.2 1,-0.2 6,-0.2 0.810 106.2 61.8 -71.4 -32.9 17.3 24.8 -7.4 111 112 A S H < S+ 0 0 103 -4,-2.0 2,-0.5 -5,-0.3 -1,-0.2 0.774 94.2 71.3 -67.6 -23.9 17.8 22.7 -10.5 112 113 A D S >X S- 0 0 49 -4,-1.0 3,-2.2 -3,-0.4 4,-0.6 -0.821 85.4-135.8 -90.6 127.9 15.4 20.1 -9.3 113 114 A S H 3> S+ 0 0 86 -2,-0.5 4,-1.6 1,-0.3 3,-0.2 0.779 101.5 67.8 -58.4 -23.4 11.8 21.4 -9.3 114 115 A R H 3> S+ 0 0 105 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.744 85.0 71.1 -66.3 -24.3 11.3 19.9 -5.8 115 116 A G H <> S+ 0 0 0 -3,-2.2 4,-1.9 -6,-0.6 -1,-0.2 0.980 107.7 32.1 -57.8 -55.1 13.7 22.4 -4.3 116 117 A L H X S+ 0 0 4 -4,-0.6 4,-2.7 -7,-0.2 5,-0.2 0.882 118.2 55.6 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0.0 4,-2.2 0, 0.0 -1,-0.2 0.893 109.6 50.3 -55.8 -40.9 2.7 15.0 19.4 317 138 B A H X S+ 0 0 51 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.916 110.8 47.6 -65.5 -41.5 1.6 17.1 22.4 318 139 B F H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.893 112.2 50.1 -63.6 -41.0 -1.0 14.4 23.4 319 140 B A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.883 110.5 50.1 -61.3 -44.7 1.6 11.6 23.0 320 141 B K H X S+ 0 0 139 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.915 112.2 46.4 -63.1 -46.1 4.1 13.5 25.1 321 142 B L H X S+ 0 0 41 -4,-2.2 4,-2.0 2,-0.2 6,-0.2 0.927 110.0 52.8 -63.2 -44.4 1.6 14.1 27.9 322 143 B A H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 -1,-0.2 0.928 110.4 49.6 -58.3 -43.0 0.4 10.5 27.9 323 144 B A H ><5S+ 0 0 60 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.924 108.4 51.6 -62.6 -44.9 4.0 9.4 28.2 324 145 B E H 3<5S+ 0 0 130 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.854 107.6 54.1 -62.8 -28.9 4.7 11.7 31.1 325 146 B Q T 3<5S- 0 0 92 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.377 118.1-111.3 -83.3 2.2 1.6 10.3 32.9 326 147 B G T < 5S+ 0 0 56 -3,-1.8 2,-1.4 1,-0.2 3,-0.2 0.617 75.1 136.5 79.6 13.4 2.9 6.8 32.6 327 148 B N >< + 0 0 45 -5,-2.5 4,-2.5 -6,-0.2 -1,-0.2 -0.631 20.9 166.4 -96.7 75.1 0.2 5.9 30.1 328 149 B M H > + 0 0 145 -2,-1.4 4,-2.7 1,-0.2 5,-0.2 0.887 69.4 53.8 -64.5 -38.7 2.4 3.9 27.7 329 150 B E H > S+ 0 0 85 1,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.926 113.8 42.2 -65.6 -42.7 -0.3 2.2 25.7 330 151 B V H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.885 112.3 54.0 -70.8 -39.2 -2.1 5.5 24.9 331 152 B A H X S+ 0 0 10 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.935 109.7 48.7 -55.8 -48.1 1.3 7.3 24.2 332 153 B T H X S+ 0 0 98 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.889 109.7 52.7 -61.3 -41.0 2.1 4.6 21.7 333 154 B A H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.935 109.5 47.6 -60.5 -48.7 -1.4 5.0 20.1 334 155 B F H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.886 108.6 55.3 -62.3 -36.2 -0.9 8.7 19.7 335 156 B E H X S+ 0 0 106 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.888 108.5 48.6 -60.5 -40.0 2.5 8.1 18.2 336 157 B A H X S+ 0 0 54 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.885 110.7 50.5 -66.0 -40.6 0.9 5.8 15.6 337 158 B I H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.923 107.1 54.4 -62.8 -43.3 -1.7 8.4 14.9 338 159 B V H X S+ 0 0 20 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.932 108.7 49.2 -52.8 -49.8 1.1 11.0 14.4 339 160 B K H X S+ 0 0 119 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.901 113.2 46.9 -56.3 -43.7 2.7 8.7 11.8 340 161 B S H X S+ 0 0 22 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.910 110.7 49.4 -70.1 -43.5 -0.6 8.3 10.0 341 162 B E H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.864 108.8 55.2 -65.4 -34.0 -1.5 12.0 9.9 342 163 B T H X S+ 0 0 32 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.931 107.1 50.0 -60.2 -44.9 2.0 12.7 8.6 343 164 B K H X S+ 0 0 54 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.924 109.0 51.9 -58.1 -46.6 1.3 10.2 5.7 344 165 B H H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.897 106.1 54.1 -59.2 -43.9 -2.0 12.0 5.0 345 166 B A H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.910 110.2 47.8 -55.3 -45.2 -0.2 15.4 4.8 346 167 B N H X S+ 0 0 27 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.937 111.1 49.6 -62.6 -45.5 2.1 13.9 2.2 347 168 B W H X S+ 0 0 93 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.926 112.3 49.1 -55.0 -47.3 -0.8 12.4 0.2 348 169 B V H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.907 110.0 49.8 -64.8 -45.4 -2.6 15.7 0.3 349 170 B K H X S+ 0 0 30 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.922 111.5 48.5 -61.3 -42.8 0.5 17.7 -0.9 350 171 B R H X S+ 0 0 81 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.907 112.6 49.6 -63.8 -38.0 1.2 15.3 -3.8 351 172 B A H X S+ 0 0 14 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.907 110.1 50.1 -66.1 -41.1 -2.5 15.6 -4.8 352 173 B L H X S+ 0 0 3 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.922 109.1 52.0 -63.2 -44.5 -2.4 19.3 -4.6 353 174 B E H X S+ 0 0 14 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.920 113.1 44.6 -59.2 -39.1 0.6 19.5 -6.8 354 175 B N H < S+ 0 0 97 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.856 109.3 56.1 -73.4 -38.5 -1.0 17.3 -9.3 355 176 B L H < S+ 0 0 29 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.924 110.5 44.0 -55.6 -45.2 -4.2 19.1 -9.3 356 177 B L H < S+ 0 0 2 -4,-2.1 2,-0.8 -5,-0.2 -2,-0.2 0.958 94.9 86.8 -84.1 -6.4 -2.6 22.4 -10.0 357 178 B E < - 0 0 44 -4,-1.8 2,-0.2 -5,-0.2 -180,-0.1 -0.245 61.3-170.8 -90.8 97.6 -0.3 20.9 -12.9 358 179 B V 0 0 115 -2,-0.8 -180,-0.2 -180,-0.2 -2,-0.0 -0.640 360.0 360.0 -86.1 149.3 -2.4 21.0 -16.3 359 180 B A 0 0 148 -2,-0.2 -181,-0.0 0, 0.0 0, 0.0 -0.799 360.0 360.0 177.4 360.0 -0.8 19.2 -19.3