==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-JUN-11 3SID . COMPND 2 MOLECULE: SYMERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CYANOPHORA PARADOXA; . AUTHOR R.B.COOLEY,D.J.ARP,P.A.KARPLUS . 354 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16266.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 79.1 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 . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 66.1 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 4 A N 0 0 105 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 90.6 4.9 3.2 10.6 2 5 A Y - 0 0 172 337,-0.0 2,-0.3 0, 0.0 333,-0.0 -0.744 360.0-177.0 -99.1 123.7 7.6 4.6 8.3 3 6 A N - 0 0 28 -2,-0.5 2,-0.1 1,-0.0 333,-0.0 -0.846 35.0-105.3-110.7 142.5 7.1 7.7 5.9 4 7 A Q - 0 0 140 -2,-0.3 2,-0.2 1,-0.1 3,-0.1 -0.409 37.0-117.3 -64.9 140.4 9.8 8.9 3.5 5 8 A E - 0 0 131 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.486 39.2 -88.8 -77.6 151.0 11.5 12.1 4.6 6 9 A D > - 0 0 23 -2,-0.2 3,-2.5 1,-0.2 -1,-0.1 -0.181 56.5 -77.7 -58.3 146.2 11.2 15.2 2.4 7 10 A F G > S- 0 0 44 1,-0.3 3,-1.7 2,-0.2 4,-0.2 -0.196 113.0 -7.5 -41.7 122.7 13.6 15.9 -0.4 8 11 A M G 3 S- 0 0 52 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.564 113.2 -83.9 55.1 22.1 16.9 17.3 1.0 9 12 A G G X S+ 0 0 6 -3,-2.5 3,-1.9 1,-0.1 -1,-0.3 0.759 82.5 150.1 65.7 19.3 15.5 17.6 4.5 10 13 A L G X + 0 0 0 -3,-1.7 3,-1.5 1,-0.3 4,-0.2 0.774 60.9 67.7 -65.5 -23.3 14.0 21.0 3.6 11 14 A D G > S+ 0 0 39 1,-0.3 3,-1.6 -4,-0.2 -1,-0.3 0.765 85.9 70.8 -63.6 -26.7 11.1 20.4 6.0 12 15 A R G < S+ 0 0 122 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.548 77.3 79.2 -73.7 -0.5 13.6 20.7 8.9 13 16 A F G < S+ 0 0 0 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.3 0.762 72.1 97.8 -71.8 -25.7 14.0 24.4 8.2 14 17 A F < - 0 0 27 -3,-1.6 2,-0.4 -4,-0.2 107,-0.1 -0.542 55.8-175.8 -68.8 127.4 10.7 24.8 10.1 15 18 A Q - 0 0 35 -2,-0.3 2,-0.3 18,-0.1 22,-0.1 -0.991 11.1-150.8-127.8 127.8 11.3 25.9 13.7 16 19 A D - 0 0 42 -2,-0.4 2,-0.1 1,-0.0 108,-0.0 -0.749 22.0-114.6 -98.9 137.7 8.5 26.3 16.3 17 20 A A - 0 0 3 -2,-0.3 2,-0.4 1,-0.1 13,-0.1 -0.484 39.4-113.2 -61.5 148.5 8.6 28.7 19.2 18 21 A V - 0 0 81 7,-0.2 2,-0.2 -2,-0.1 11,-0.2 -0.707 21.7-124.1 -96.0 133.3 8.6 26.8 22.5 19 22 A S + 0 0 80 -2,-0.4 2,-0.3 10,-0.1 -1,-0.1 -0.508 35.1 170.5 -72.1 132.5 5.8 27.0 25.0 20 23 A H - 0 0 72 -2,-0.2 6,-0.1 2,-0.1 0, 0.0 -0.927 44.7-114.8-133.3 169.3 6.5 28.1 28.6 21 24 A N S S+ 0 0 126 -2,-0.3 2,-0.4 4,-0.0 -2,-0.0 0.703 98.7 65.8 -71.0 -27.1 4.5 29.1 31.6 22 25 A N S > S- 0 0 53 1,-0.1 4,-1.8 121,-0.0 3,-0.4 -0.897 74.1-142.1-108.0 132.4 5.7 32.6 31.5 23 26 A T H > S+ 0 0 4 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.843 101.1 60.9 -58.7 -34.3 4.9 35.1 28.8 24 27 A D H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 107.2 45.5 -57.5 -44.7 8.5 36.6 29.0 25 28 A A H > S+ 0 0 18 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.879 110.6 51.8 -70.4 -35.7 9.9 33.3 28.1 26 29 A N H X S+ 0 0 2 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.898 111.2 50.3 -62.9 -44.2 7.3 32.8 25.2 27 30 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.908 109.1 50.1 -56.2 -46.6 8.5 36.3 24.0 28 31 A A H X S+ 0 0 21 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.909 112.6 47.4 -60.6 -42.3 12.1 35.2 24.1 29 32 A S H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.900 112.3 49.5 -67.8 -41.0 11.4 32.1 22.2 30 33 A S H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.927 109.0 51.6 -61.8 -48.2 9.4 33.9 19.6 31 34 A I H X S+ 0 0 9 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.919 110.2 51.2 -52.0 -49.3 12.1 36.6 19.1 32 35 A E H X S+ 0 0 23 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.943 114.9 40.5 -54.2 -52.3 14.6 33.8 18.6 33 36 A V H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.929 114.1 51.4 -69.0 -41.5 12.5 32.0 16.0 34 37 A E H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.891 110.9 48.8 -64.5 -38.3 11.3 35.1 14.2 35 38 A M H X S+ 0 0 55 -4,-2.5 4,-3.0 -5,-0.3 5,-0.3 0.862 109.1 53.3 -69.1 -35.8 14.9 36.3 13.9 36 39 A Y H X>S+ 0 0 1 -4,-1.9 4,-2.4 -5,-0.2 5,-2.2 0.913 111.4 46.4 -60.6 -41.8 16.0 32.9 12.5 37 40 A E H <>S+ 0 0 0 -4,-2.6 5,-2.3 3,-0.2 -2,-0.2 0.911 117.0 43.5 -64.7 -42.2 13.3 33.2 9.9 38 41 A C H <5S+ 0 0 27 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.935 125.5 31.5 -64.9 -49.6 14.3 36.8 9.1 39 42 A D H <5S+ 0 0 88 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.836 137.0 5.3 -79.6 -40.5 18.1 36.2 9.1 40 43 A C T X5S+ 0 0 24 -4,-2.4 4,-1.5 -5,-0.3 -3,-0.2 0.820 119.2 47.8-122.8 -58.9 18.4 32.6 7.9 41 44 A M H > S+ 0 0 45 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.872 109.8 48.8 -59.7 -37.6 16.7 34.5 2.8 44 47 A T H X S+ 0 0 3 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.930 111.0 48.9 -66.0 -44.8 17.7 30.9 1.9 45 48 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.904 109.5 54.0 -58.8 -38.6 14.3 30.2 0.5 46 49 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.902 109.0 47.2 -61.4 -45.1 14.6 33.5 -1.5 47 50 A E H X S+ 0 0 52 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.906 109.7 52.6 -68.0 -41.0 17.9 32.3 -3.0 48 51 A I H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.955 111.1 49.1 -55.2 -43.4 16.5 28.9 -3.9 49 52 A A H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-0.3 0.932 112.9 45.7 -63.7 -50.4 13.7 30.8 -5.7 50 53 A R H ><5S+ 0 0 88 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.920 113.2 49.1 -58.8 -46.0 16.1 33.1 -7.6 51 54 A R H 3<5S+ 0 0 110 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.731 107.3 57.0 -70.8 -20.1 18.4 30.2 -8.6 52 55 A S T 3<5S- 0 0 34 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.321 123.4-104.5 -80.7 -0.9 15.3 28.2 -9.7 53 56 A G T < 5S+ 0 0 54 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.787 89.8 116.9 76.3 30.0 14.4 31.0 -12.1 54 57 A Q >< + 0 0 65 -5,-2.7 4,-2.1 -6,-0.2 3,-0.2 -0.562 25.3 159.2-128.2 67.1 11.6 32.4 -10.0 55 58 A P H > S+ 0 0 85 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.826 72.7 57.7 -68.1 -30.6 12.7 35.9 -9.0 56 59 A E H > S+ 0 0 168 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.932 109.5 45.1 -63.9 -44.8 9.1 37.1 -8.2 57 60 A I H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 110.8 55.6 -64.7 -37.2 8.7 34.3 -5.6 58 61 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.931 105.9 50.8 -58.3 -45.1 12.2 35.2 -4.4 59 62 A A H X S+ 0 0 55 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.856 107.4 54.6 -62.9 -36.6 11.1 38.8 -3.8 60 63 A M H X S+ 0 0 30 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.949 108.7 47.2 -60.6 -50.7 8.1 37.5 -1.8 61 64 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.901 110.7 51.9 -63.1 -37.2 10.3 35.6 0.5 62 65 A D H X S+ 0 0 62 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.890 111.4 48.4 -62.9 -39.1 12.6 38.6 0.9 63 66 A A H X S+ 0 0 41 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.911 112.0 48.4 -67.2 -44.7 9.5 40.7 1.8 64 67 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 3,-0.3 0.935 106.7 57.3 -60.5 -46.6 8.3 38.1 4.3 65 68 A A H X S+ 0 0 7 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.898 104.7 51.2 -51.8 -46.4 11.7 37.9 5.9 66 69 A K H X S+ 0 0 155 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.889 109.2 51.7 -58.5 -42.1 11.6 41.7 6.6 67 70 A E H X S+ 0 0 33 -4,-1.6 4,-2.1 -3,-0.3 -1,-0.2 0.845 103.0 57.6 -66.0 -36.1 8.2 41.2 8.3 68 71 A E H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.918 106.6 49.8 -58.7 -41.6 9.5 38.4 10.5 69 72 A G H X S+ 0 0 5 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.890 106.3 56.1 -64.0 -37.9 12.1 40.9 11.8 70 73 A M H X S+ 0 0 108 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.887 106.0 51.1 -58.0 -45.1 9.3 43.4 12.4 71 74 A H H X S+ 0 0 11 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.935 112.1 46.5 -57.3 -47.7 7.6 40.8 14.6 72 75 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.895 111.5 51.1 -58.7 -46.6 10.8 40.2 16.6 73 76 A Q H X S+ 0 0 138 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.808 104.7 56.5 -68.1 -30.9 11.4 43.9 17.0 74 77 A L H X S+ 0 0 69 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.948 112.6 42.6 -59.9 -47.8 7.9 44.5 18.3 75 78 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.875 110.9 54.4 -67.2 -39.5 8.5 42.0 21.1 76 79 A T H < S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.2 6,-0.2 0.878 104.7 55.9 -67.1 -33.5 12.1 43.3 21.8 77 80 A K H < S+ 0 0 177 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.912 110.1 45.4 -62.9 -33.7 10.6 46.8 22.3 78 81 A L H < S+ 0 0 68 -4,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.758 121.3 38.2 -79.9 -23.4 8.3 45.3 24.9 79 82 A Y S >< S+ 0 0 40 -4,-1.5 3,-1.4 1,-0.1 -1,-0.3 -0.664 72.0 170.9-129.0 72.0 11.1 43.3 26.6 80 83 A S T 3 S+ 0 0 85 -3,-0.5 -1,-0.1 -2,-0.3 -2,-0.1 0.692 73.8 42.9 -63.4 -24.1 14.0 45.8 26.3 81 84 A E T 3 S+ 0 0 164 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.419 79.8 128.5-104.3 -0.6 16.4 43.8 28.5 82 85 A L < - 0 0 57 -3,-1.4 2,-0.7 -6,-0.2 -3,-0.1 -0.347 48.5-147.8 -69.4 136.9 15.9 40.3 27.3 83 86 A E - 0 0 150 -2,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.915 17.1-165.0-106.4 108.8 18.9 38.3 26.4 84 87 A V - 0 0 52 -2,-0.7 2,-0.4 -53,-0.0 -55,-0.1 -0.839 8.6-179.7-100.4 127.4 17.9 35.9 23.5 85 88 A K - 0 0 148 -2,-0.5 2,-0.2 -57,-0.0 -53,-0.1 -0.976 34.6-102.2-124.9 147.5 20.3 33.0 22.7 86 89 A D - 0 0 57 -2,-0.4 2,-0.0 4,-0.1 -57,-0.0 -0.442 36.2-135.7 -71.0 126.1 19.9 30.4 20.0 87 90 A S > - 0 0 37 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.287 31.5 -97.0 -69.2 166.3 18.7 27.0 21.4 88 91 A A H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.898 126.7 53.9 -51.1 -42.4 20.3 23.7 20.3 89 92 A E H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 108.9 46.6 -64.9 -41.2 17.4 23.3 17.8 90 93 A T H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 111.1 52.4 -65.7 -42.1 18.0 26.8 16.2 91 94 A L H X S+ 0 0 79 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.897 109.6 49.2 -59.8 -40.8 21.7 26.1 16.0 92 95 A E H X S+ 0 0 88 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.916 110.4 51.5 -65.3 -39.5 21.0 22.8 14.2 93 96 A A H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.898 107.3 52.0 -62.5 -42.4 18.6 24.6 11.8 94 97 A K H X S+ 0 0 61 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.874 108.0 52.4 -64.9 -33.2 21.3 27.1 11.1 95 98 A R H X S+ 0 0 132 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.915 108.8 49.5 -64.5 -42.4 23.7 24.3 10.3 96 99 A L H X S+ 0 0 15 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.935 108.0 55.2 -61.2 -45.7 21.1 22.8 7.9 97 100 A V H X S+ 0 0 17 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.941 108.8 48.2 -45.9 -51.4 20.8 26.3 6.3 98 101 A S H X S+ 0 0 59 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.898 109.7 50.8 -65.8 -39.2 24.5 26.3 5.7 99 102 A T H X S+ 0 0 67 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.893 112.2 47.1 -67.6 -33.5 24.6 22.8 4.2 100 103 A I H >< S+ 0 0 2 -4,-2.5 3,-0.8 2,-0.2 7,-0.2 0.901 108.2 55.4 -70.8 -43.2 21.8 23.7 1.7 101 104 A E H >< S+ 0 0 71 -4,-2.6 3,-1.4 -5,-0.3 4,-0.2 0.900 105.0 54.1 -52.2 -41.4 23.6 27.0 0.8 102 105 A S H 3< S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.742 118.0 35.3 -66.3 -24.1 26.6 24.9 -0.1 103 106 A Q T + 0 0 5 -3,-1.4 4,-2.5 1,-0.3 5,-0.2 0.829 68.1 53.5 -67.6 -33.2 22.2 25.6 -3.6 105 108 A D H > S+ 0 0 104 -4,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.946 112.5 45.1 -64.5 -41.1 22.7 25.0 -7.3 106 109 A A H > S+ 0 0 59 -3,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.905 112.8 50.2 -67.4 -37.8 21.7 21.4 -7.0 107 110 A V H < S+ 0 0 0 -4,-2.3 6,-0.6 -7,-0.2 3,-0.4 0.945 114.6 44.8 -65.3 -43.3 18.7 22.1 -4.8 108 111 A A H < S+ 0 0 8 -4,-2.5 6,-0.2 1,-0.2 -1,-0.2 0.824 105.0 61.2 -72.2 -30.5 17.5 24.8 -7.2 109 112 A S H < S+ 0 0 101 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.2 0.795 93.6 73.8 -71.5 -22.8 18.0 22.7 -10.4 110 113 A D S >X S- 0 0 48 -4,-1.1 3,-2.1 -3,-0.4 4,-0.6 -0.775 84.3-136.6 -90.2 131.3 15.5 20.2 -9.1 111 114 A S H 3> S+ 0 0 94 -2,-0.5 4,-1.5 1,-0.3 3,-0.2 0.785 101.6 65.4 -59.2 -24.9 11.9 21.3 -9.3 112 115 A R H 3> S+ 0 0 106 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.746 85.5 72.2 -69.1 -23.4 11.4 19.9 -5.8 113 116 A G H <> S+ 0 0 0 -3,-2.1 4,-2.0 -6,-0.6 -1,-0.2 0.968 106.8 33.0 -60.7 -53.6 13.8 22.4 -4.2 114 117 A L H X S+ 0 0 4 -4,-0.6 4,-2.7 -7,-0.2 5,-0.2 0.875 117.9 55.5 -70.0 -39.2 11.5 25.4 -4.5 115 118 A R H X S+ 0 0 67 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.934 112.0 42.6 -59.1 -49.8 8.3 23.3 -4.1 116 119 A R H X S+ 0 0 20 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.865 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98 B R H X S+ 0 0 131 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.906 108.9 50.1 -63.8 -42.7 -23.7 23.1 10.3 274 99 B L H X S+ 0 0 14 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.918 108.2 53.3 -62.7 -46.4 -21.1 24.5 7.9 275 100 B V H X S+ 0 0 17 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.919 108.6 50.4 -47.3 -48.2 -20.8 21.1 6.3 276 101 B S H X S+ 0 0 60 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.892 109.6 49.3 -64.4 -39.2 -24.6 21.1 5.8 277 102 B T H X S+ 0 0 70 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.897 112.3 47.6 -72.1 -33.0 -24.6 24.6 4.2 278 103 B I H >< S+ 0 0 1 -4,-2.5 3,-0.7 2,-0.2 7,-0.2 0.913 108.1 55.8 -69.3 -43.3 -21.8 23.6 1.7 279 104 B E H >< S+ 0 0 71 -4,-2.6 3,-1.4 1,-0.2 4,-0.2 0.914 105.1 53.6 -53.2 -40.8 -23.6 20.4 0.9 280 105 B S H 3< S+ 0 0 111 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.784 117.9 35.5 -68.1 -23.1 -26.6 22.5 -0.1 281 106 B Q T + 0 0 7 -3,-1.4 4,-2.4 1,-0.3 5,-0.2 0.833 67.9 53.5 -65.1 -33.0 -22.2 21.8 -3.6 283 108 B D H > S+ 0 0 103 -4,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.940 112.1 45.0 -65.7 -40.8 -22.7 22.3 -7.3 284 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129 B T H X S+ 0 0 12 -4,-2.5 4,-2.3 -5,-0.3 5,-0.3 0.938 115.5 43.4 -64.8 -51.9 -0.2 19.7 9.3 305 130 B I H X>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-2.1 0.912 118.3 44.8 -63.6 -45.4 -1.5 21.0 12.7 306 131 B E H <>S+ 0 0 0 -4,-3.3 5,-2.0 3,-0.2 -1,-0.2 0.900 119.3 40.3 -69.9 -40.8 -2.5 17.5 13.9 307 132 B S H <5S+ 0 0 3 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.810 126.5 32.2 -73.6 -35.7 0.7 15.8 12.8 308 133 B Q H <5S+ 0 0 82 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.666 135.4 7.1 -97.0 -22.7 3.2 18.5 13.8 309 134 B K T X5S+ 0 0 40 -4,-2.1 4,-1.9 -5,-0.3 -3,-0.2 0.684 120.5 43.0-124.8 -66.3 1.5 20.0 16.9 310 135 B T H > S+ 0 0 41 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.915 109.7 49.6 -58.0 -41.6 2.8 15.1 19.3 313 138 B A H X S+ 0 0 50 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.911 111.6 47.8 -64.4 -44.3 1.7 17.1 22.3 314 139 B F H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.902 112.2 49.8 -62.9 -43.8 -0.9 14.5 23.3 315 140 B A H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.893 110.8 50.4 -60.6 -40.1 1.7 11.7 22.9 316 141 B K H X S+ 0 0 140 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.920 112.3 45.7 -66.2 -45.0 4.2 13.6 25.1 317 142 B L H X S+ 0 0 38 -4,-2.2 4,-2.1 2,-0.2 6,-0.2 0.917 109.8 54.4 -66.2 -39.1 1.7 14.2 27.9 318 143 B A H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 -1,-0.2 0.915 110.1 47.3 -60.1 -46.2 0.5 10.6 27.8 319 144 B A H ><5S+ 0 0 61 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.913 109.5 53.1 -60.4 -47.9 4.1 9.3 28.2 320 145 B E H 3<5S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.835 107.6 52.5 -58.3 -32.3 4.7 11.8 31.0 321 146 B Q T 3<5S- 0 0 93 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.275 118.9-110.1 -84.4 5.8 1.6 10.5 32.8 322 147 B G T < 5S+ 0 0 59 -3,-1.7 2,-1.1 1,-0.2 -3,-0.2 0.719 75.7 135.5 73.4 21.4 2.8 6.9 32.6 323 148 B N >< + 0 0 52 -5,-2.8 4,-2.5 -6,-0.2 5,-0.2 -0.667 21.1 166.9-101.4 80.7 0.1 5.9 30.0 324 149 B M H > S+ 0 0 148 -2,-1.1 4,-2.5 1,-0.2 5,-0.2 0.890 70.7 53.1 -68.1 -36.4 2.3 4.0 27.7 325 150 B E H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.904 113.5 42.8 -66.3 -42.5 -0.4 2.3 25.7 326 151 B V H > S+ 0 0 3 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