==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 18-AUG-10 3OHW . COMPND 2 MOLECULE: PHYCOBILISOME LCM CORE-MEMBRANE LINKER POLYPEPTID . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR A.KUZIN,M.SU,S.LEW,S.M.VOROBIEV,P.PATEL,R.XIAO,C.CICCOSANTI, . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 73.6 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 55.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 4.3 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 0 0 2 4 2 3 0 0 1 1 1 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 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 1 731 B D > 0 0 164 0, 0.0 4,-0.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -56.1 4.8 -4.5 -20.1 2 732 B K H > + 0 0 150 2,-0.2 4,-3.0 3,-0.1 3,-0.4 0.797 360.0 52.9 -89.6 -36.6 5.2 -7.7 -18.1 3 733 B V H > S+ 0 0 84 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.797 103.7 61.9 -65.2 -25.8 8.9 -7.7 -18.8 4 734 B A H > S+ 0 0 53 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.851 108.4 38.6 -68.1 -37.3 8.7 -4.2 -17.5 5 735 B V H X S+ 0 0 30 -4,-0.5 4,-3.0 -3,-0.4 3,-0.3 0.917 112.5 58.7 -74.8 -47.0 7.5 -5.4 -14.1 6 736 B K H X S+ 0 0 119 -4,-3.0 4,-1.7 1,-0.3 5,-0.3 0.899 104.7 51.3 -46.4 -48.2 9.9 -8.4 -14.3 7 737 B N H X S+ 0 0 83 -4,-2.6 4,-2.5 1,-0.2 -1,-0.3 0.900 112.8 45.3 -59.0 -42.4 12.7 -5.8 -14.6 8 738 B A H X S+ 0 0 14 -4,-1.1 4,-3.5 -3,-0.3 5,-0.3 0.910 105.6 57.0 -70.8 -46.2 11.6 -4.0 -11.5 9 739 B I H X S+ 0 0 20 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.955 117.7 36.0 -48.0 -56.7 11.0 -6.9 -9.3 10 740 B R H X S+ 0 0 68 -4,-1.7 4,-1.8 -5,-0.2 3,-0.4 0.922 115.8 55.5 -61.0 -50.9 14.6 -8.0 -9.8 11 741 B A H X S+ 0 0 38 -4,-2.5 4,-1.6 -5,-0.3 -2,-0.2 0.895 109.8 45.3 -49.8 -50.3 15.9 -4.5 -9.9 12 742 B A H X S+ 0 0 1 -4,-3.5 4,-2.4 1,-0.2 5,-0.3 0.752 107.6 57.2 -70.3 -27.0 14.4 -3.6 -6.5 13 743 B Y H X S+ 0 0 9 -4,-1.3 4,-1.8 -3,-0.4 6,-1.0 0.882 111.0 43.2 -71.6 -37.6 15.6 -6.8 -4.8 14 744 B R H X S+ 0 0 127 -4,-1.8 4,-0.7 4,-0.3 -2,-0.2 0.834 114.4 52.2 -73.9 -34.9 19.3 -6.1 -5.7 15 745 B Q H < S+ 0 0 36 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.985 122.4 27.0 -64.3 -58.5 18.8 -2.5 -4.8 16 746 B V H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.972 137.8 25.4 -68.3 -59.2 17.4 -3.2 -1.3 17 747 B F H < S- 0 0 8 -4,-1.8 -3,-0.2 -5,-0.3 -1,-0.2 0.459 94.5-131.3 -88.1 -4.9 18.9 -6.6 -0.4 18 748 B E S < S+ 0 0 95 -4,-0.7 2,-0.3 -5,-0.3 -4,-0.3 0.552 81.1 69.1 65.0 8.8 22.0 -6.3 -2.7 19 749 B R S S- 0 0 82 -6,-1.0 2,-0.6 -9,-0.1 -2,-0.3 -0.959 90.3-100.5-150.3 162.8 21.1 -9.8 -4.0 20 750 B D - 0 0 72 -2,-0.3 2,-0.2 -6,-0.1 -10,-0.1 -0.801 46.7-130.4 -87.0 124.3 18.6 -11.7 -6.1 21 751 B L - 0 0 18 -2,-0.6 -8,-0.0 1,-0.1 -7,-0.0 -0.536 18.0-111.1 -79.8 143.5 16.3 -13.5 -3.6 22 752 B E >> - 0 0 94 -2,-0.2 4,-2.1 1,-0.1 3,-1.2 -0.391 31.1-109.0 -70.2 146.3 15.5 -17.2 -3.9 23 753 B P H 3> S+ 0 0 106 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.846 118.9 49.9 -41.7 -47.0 12.0 -18.2 -4.9 24 754 B Y H 3> S+ 0 0 170 2,-0.2 4,-1.1 1,-0.2 -3,-0.0 0.815 106.6 53.5 -67.4 -31.5 11.2 -19.6 -1.4 25 755 B I H <> S+ 0 0 17 -3,-1.2 4,-1.2 2,-0.2 5,-0.3 0.868 113.7 45.4 -69.1 -34.0 12.4 -16.4 0.3 26 756 B I H X>S+ 0 0 16 -4,-2.1 4,-3.1 1,-0.2 5,-0.8 0.979 106.9 57.4 -66.8 -57.5 10.0 -14.6 -2.1 27 757 B N H <5S+ 0 0 119 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.726 102.4 60.7 -44.9 -27.0 7.3 -17.1 -1.4 28 758 B S H <5S- 0 0 79 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.986 131.0 -12.7 -70.5 -58.6 7.7 -16.2 2.3 29 759 B E H <5S+ 0 0 61 -4,-1.2 4,-0.3 -3,-0.4 -2,-0.2 0.517 126.6 59.1-124.0 -7.2 6.8 -12.4 2.2 30 760 B F T X5 + 0 0 1 -4,-3.1 4,-2.2 -5,-0.3 5,-0.2 0.435 69.1 97.0-110.3 5.4 6.8 -11.1 -1.3 31 761 B T H > S+ 0 0 50 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.966 112.6 47.8 -63.3 -54.8 1.5 -10.5 -2.6 33 763 B L H > S+ 0 0 28 -4,-0.3 4,-3.1 1,-0.2 5,-0.3 0.848 108.8 53.1 -56.7 -41.2 3.5 -7.5 -3.6 34 764 B E H X S+ 0 0 50 -4,-2.2 4,-3.3 2,-0.2 -1,-0.2 0.962 112.7 46.3 -60.4 -46.9 4.8 -9.1 -6.8 35 765 B S H X S+ 0 0 54 -4,-1.6 4,-4.7 -5,-0.2 -2,-0.2 0.924 113.9 46.7 -59.2 -49.5 1.2 -9.8 -7.7 36 766 B K H <>S+ 0 0 91 -4,-2.8 5,-3.3 2,-0.2 6,-0.7 0.947 114.9 46.5 -59.1 -50.6 -0.1 -6.4 -6.9 37 767 B L H ><5S+ 0 0 17 -4,-3.1 3,-1.2 3,-0.2 -2,-0.2 0.945 117.7 45.2 -56.3 -46.7 2.8 -4.8 -8.8 38 768 B S H 3<5S+ 0 0 65 -4,-3.3 -2,-0.2 -5,-0.3 -1,-0.2 0.943 112.9 48.5 -61.6 -49.4 2.1 -7.2 -11.6 39 769 B N T 3<5S- 0 0 103 -4,-4.7 -1,-0.3 -5,-0.2 -2,-0.2 0.318 115.7-116.6 -74.9 7.8 -1.7 -6.6 -11.4 40 770 B N T < 5S+ 0 0 141 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.878 80.5 123.9 60.4 39.7 -1.0 -2.9 -11.5 41 771 B E S - 0 0 30 -2,-0.3 4,-2.1 -3,-0.1 78,-0.2 -0.380 35.5 -93.1 -99.2-178.0 3.5 1.2 -7.8 44 774 B V H > S+ 0 0 12 76,-1.0 4,-3.3 1,-0.2 77,-0.2 0.890 123.8 56.3 -61.7 -44.5 7.3 0.7 -7.5 45 775 B K H > S+ 0 0 30 75,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.929 109.3 47.0 -52.3 -50.2 7.5 3.0 -4.5 46 776 B E H > S+ 0 0 83 74,-0.3 4,-1.3 2,-0.2 3,-0.4 0.921 112.9 47.4 -59.9 -47.2 4.9 0.9 -2.7 47 777 B F H X S+ 0 0 2 -4,-2.1 4,-1.5 1,-0.3 3,-0.4 0.906 109.8 54.0 -61.4 -42.0 6.7 -2.4 -3.5 48 778 B I H X S+ 0 0 0 -4,-3.3 4,-1.8 1,-0.3 -1,-0.3 0.772 108.4 51.0 -62.5 -24.8 10.0 -0.8 -2.4 49 779 B E H X S+ 0 0 52 -4,-1.2 4,-1.5 -3,-0.4 -1,-0.3 0.730 102.3 57.7 -84.0 -25.4 8.2 -0.0 0.9 50 780 B G H < S+ 0 0 15 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.837 107.8 52.0 -70.4 -30.2 7.1 -3.6 1.2 51 781 B L H >< S+ 0 0 0 -4,-1.5 3,-1.7 2,-0.2 6,-0.4 0.975 109.5 43.4 -68.4 -58.9 10.8 -4.4 1.0 52 782 B G H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.789 118.5 46.6 -60.0 -28.3 12.0 -2.0 3.7 53 783 B T T 3< S+ 0 0 54 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.390 91.0 113.2 -94.1 2.1 9.1 -3.1 6.0 54 784 B S S <> S- 0 0 5 -3,-1.7 4,-0.9 1,-0.1 -3,-0.1 -0.262 73.3-129.8 -68.5 161.4 9.7 -6.7 5.2 55 785 B E H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.842 108.7 60.7 -80.2 -34.2 10.9 -9.0 8.0 56 786 B L H > S+ 0 0 20 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.866 101.5 54.5 -58.6 -38.3 13.7 -10.2 5.8 57 787 B Y H > S+ 0 0 3 -6,-0.4 4,-3.2 2,-0.2 -1,-0.2 0.886 106.5 48.9 -65.5 -40.7 15.0 -6.7 5.6 58 788 B X H X>S+ 0 0 26 -4,-0.9 5,-3.8 2,-0.2 4,-1.3 0.893 116.0 45.5 -64.9 -39.6 15.2 -6.2 9.3 59 789 B K H <5S+ 0 0 139 -4,-2.1 3,-0.4 3,-0.2 -2,-0.2 0.984 118.7 41.3 -63.2 -58.8 17.0 -9.6 9.5 60 790 B E H <5S+ 0 0 69 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.831 133.7 15.0 -59.9 -41.6 19.4 -8.7 6.6 61 791 B F H <5S+ 0 0 12 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.166 132.4 30.7-129.0 24.1 20.2 -5.1 7.5 62 792 B Y T <5S+ 0 0 6 -4,-1.3 -3,-0.2 -3,-0.4 -4,-0.1 0.463 103.7 65.5-140.2 -49.0 19.1 -4.3 11.0 63 793 B A S > - 0 0 54 0, 0.0 4,-4.5 0, 0.0 3,-0.8 -0.572 40.6 -87.2-102.2 166.8 24.1 -0.7 14.5 67 797 B N H 3> S+ 0 0 10 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.786 128.6 47.7 -39.2 -41.1 21.9 2.4 14.4 68 798 B T H 3> S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.873 118.0 38.8 -73.9 -39.6 24.5 4.2 12.3 69 799 B K H <> S+ 0 0 72 -3,-0.8 4,-2.9 2,-0.2 -2,-0.2 0.849 112.8 57.7 -79.0 -33.6 25.0 1.3 9.9 70 800 B V H X S+ 0 0 3 -4,-4.5 4,-1.9 1,-0.2 -2,-0.2 0.979 114.3 39.0 -56.8 -53.1 21.3 0.6 10.0 71 801 B I H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.882 113.5 53.7 -63.7 -42.3 20.8 4.2 8.8 72 802 B E H X S+ 0 0 73 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.896 109.9 50.5 -59.5 -39.3 23.7 4.2 6.4 73 803 B X H X S+ 0 0 13 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.888 109.7 49.6 -65.5 -41.9 22.3 1.1 4.8 74 804 B G H X>S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.2 5,-0.6 0.901 106.9 51.8 -68.9 -43.0 18.8 2.6 4.4 75 805 B T H X>S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 6,-0.9 0.950 112.7 46.4 -59.5 -45.9 19.8 5.8 2.8 76 806 B K H <5S+ 0 0 90 -4,-1.6 -1,-0.2 4,-0.3 -2,-0.2 0.807 118.1 44.3 -65.4 -28.8 21.9 4.0 0.2 77 807 B H H <5S+ 0 0 2 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.945 128.5 20.2 -79.8 -52.6 19.0 1.5 -0.4 78 808 B F H <5S+ 0 0 0 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.586 139.4 29.4 -96.3 -15.3 15.9 3.8 -0.6 79 809 B L T < - 0 0 78 1,-0.1 4,-2.1 -3,-0.0 -1,-0.2 -0.980 66.5 -83.2-169.3 164.5 25.6 14.4 7.6 86 816 B Q H > S+ 0 0 109 -2,-0.3 4,-3.7 1,-0.2 5,-0.3 0.867 124.7 63.4 -43.5 -40.6 25.6 13.3 11.2 87 817 B K H > S+ 0 0 141 1,-0.2 4,-4.2 2,-0.2 5,-0.3 0.963 102.5 43.9 -49.0 -66.9 22.7 15.7 11.5 88 818 B E H > S+ 0 0 12 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.855 114.7 54.3 -48.2 -36.7 20.5 13.7 9.2 89 819 B I H X S+ 0 0 15 -4,-2.1 4,-4.5 2,-0.3 -2,-0.2 0.978 111.2 40.6 -61.7 -56.9 21.7 10.7 11.0 90 820 B Q H X S+ 0 0 96 -4,-3.7 4,-2.2 1,-0.3 -2,-0.2 0.928 115.8 54.0 -57.0 -41.4 20.7 12.0 14.4 91 821 B Q H X S+ 0 0 106 -4,-4.2 4,-0.7 -5,-0.3 -1,-0.3 0.906 115.4 39.3 -58.1 -41.4 17.6 13.2 12.6 92 822 B Y H >X S+ 0 0 26 -4,-3.0 4,-1.8 -5,-0.3 3,-0.6 0.886 107.6 61.4 -75.6 -42.9 17.1 9.7 11.4 93 823 B N H 3X S+ 0 0 4 -4,-4.5 4,-2.8 1,-0.3 5,-0.2 0.914 102.0 54.0 -51.2 -46.1 18.2 7.9 14.6 94 824 B Q H 3X S+ 0 0 103 -4,-2.2 4,-1.0 1,-0.2 -1,-0.3 0.852 102.2 57.1 -59.5 -35.9 15.3 9.7 16.5 95 825 B I H XX>S+ 0 0 43 -4,-0.7 4,-2.6 -3,-0.6 3,-0.9 0.973 112.6 41.5 -57.4 -53.9 12.8 8.3 14.0 96 826 B L H 3X5S+ 0 0 5 -4,-1.8 4,-3.2 1,-0.2 3,-0.2 0.970 111.6 55.0 -52.7 -63.0 13.9 4.8 14.8 97 827 B A H 3<5S+ 0 0 1 -4,-2.8 132,-2.5 1,-0.2 133,-0.4 0.612 118.8 34.4 -47.4 -20.4 14.2 5.4 18.5 98 828 B S H <<5S+ 0 0 25 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.745 137.8 9.8-111.2 -32.2 10.6 6.6 18.6 99 829 B Q H <5S- 0 0 118 -4,-2.6 4,-0.4 1,-0.3 129,-0.2 0.420 99.4-128.9-128.4 -6.8 8.6 4.6 16.0 100 830 B G X< - 0 0 0 -4,-3.2 4,-1.7 -5,-0.7 -1,-0.3 -0.395 48.0 -34.7 92.6-167.6 11.0 1.9 15.0 101 831 B L H > S+ 0 0 9 124,-2.7 4,-2.3 1,-0.2 5,-0.2 0.976 130.6 51.8 -57.1 -66.6 12.3 0.6 11.7 102 832 B K H > S+ 0 0 98 123,-0.5 4,-3.0 1,-0.2 5,-0.2 0.856 106.9 58.3 -40.2 -43.8 9.2 0.9 9.5 103 833 B A H >> S+ 0 0 19 -4,-0.4 4,-2.0 1,-0.2 3,-0.7 0.981 108.1 44.1 -49.2 -70.6 9.1 4.5 10.7 104 834 B F H 3X S+ 0 0 1 -4,-1.7 4,-0.8 1,-0.3 3,-0.2 0.858 113.2 51.5 -38.5 -55.3 12.5 5.2 9.4 105 835 B I H >X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-0.8 0.888 110.6 48.9 -53.4 -45.3 11.8 3.4 6.1 106 836 B G H S- 0 0 19 -3,-1.4 4,-2.6 1,-0.1 5,-0.2 -0.428 76.6-119.7 -89.6 163.0 9.6 11.8 1.4 112 842 B X H > S+ 0 0 125 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.951 111.8 53.6 -63.6 -51.4 9.8 14.7 -1.0 113 843 B E H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 112.7 45.6 -52.3 -40.8 13.4 14.0 -2.1 114 844 B Y H >>S+ 0 0 0 -6,-0.4 4,-3.3 2,-0.2 5,-1.4 0.956 113.0 48.7 -68.4 -49.9 12.4 10.4 -2.9 115 845 B L H <5S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.851 117.4 42.3 -58.9 -36.5 9.3 11.4 -4.7 116 846 B Q H <5S+ 0 0 150 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.884 119.6 42.1 -78.8 -39.3 11.1 14.0 -6.8 117 847 B T H <5S+ 0 0 43 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.925 137.7 6.8 -74.0 -46.2 14.2 11.9 -7.5 118 848 B F T <5S- 0 0 6 -4,-3.3 2,-0.5 1,-0.2 3,-0.4 0.723 81.9-160.1-110.9 -30.1 12.4 8.6 -8.3 119 849 B G < - 0 0 16 -5,-1.4 -1,-0.2 1,-0.2 -2,-0.1 -0.716 50.2 -60.1 86.9-129.8 8.7 9.2 -8.4 120 850 B E S S+ 0 0 92 -2,-0.5 -75,-2.6 -75,-0.1 -76,-1.0 0.548 128.5 44.0-131.2 -20.0 6.5 6.1 -7.9 121 851 B D S S+ 0 0 118 -3,-0.4 2,-0.4 -77,-0.2 -2,-0.1 0.160 93.7 91.0-115.3 15.9 7.4 3.8 -10.8 122 852 B T S S- 0 0 63 -4,-0.3 -4,-0.1 3,-0.0 3,-0.1 -0.928 72.1-129.8-116.4 137.2 11.1 4.1 -10.7 123 853 B V - 0 0 24 -2,-0.4 -78,-0.1 1,-0.1 -2,-0.1 -0.692 33.3-107.5 -84.7 133.6 13.4 1.8 -8.7 124 854 B P + 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.166 44.0 179.2 -55.3 153.5 15.9 3.7 -6.5 125 855 B Y - 0 0 117 -46,-0.1 2,-0.5 -47,-0.1 -113,-0.0 -0.945 41.2 -75.2-149.8 166.5 19.5 3.5 -7.8 126 856 B R 0 0 227 -2,-0.3 -45,-0.2 1,-0.2 -46,-0.1 -0.558 360.0 360.0 -68.9 120.9 22.9 4.8 -6.7 127 857 B R 0 0 126 -47,-2.7 -1,-0.2 -2,-0.5 -46,-0.2 0.820 360.0 360.0-103.3 360.0 22.9 8.4 -7.6 128 !* 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 0.0 129 731 A D > 0 0 167 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.5 3.6 8.6 53.6 130 732 A K H > + 0 0 152 2,-0.2 4,-2.2 3,-0.1 5,-0.1 0.669 360.0 57.4 -98.6 -29.3 4.6 11.7 51.6 131 733 A V H > S+ 0 0 88 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.836 102.5 58.1 -69.3 -32.5 8.2 11.2 52.5 132 734 A A H > S+ 0 0 50 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.976 104.8 47.5 -60.5 -53.9 7.8 7.8 50.9 133 735 A V H X S+ 0 0 29 -4,-0.7 4,-2.3 1,-0.2 -2,-0.2 0.947 114.1 50.1 -51.7 -45.7 6.7 9.4 47.6 134 736 A K H X S+ 0 0 122 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.876 109.3 48.4 -60.7 -41.5 9.7 11.7 48.1 135 737 A N H X S+ 0 0 89 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.886 112.2 53.2 -65.9 -38.1 12.2 8.9 48.7 136 738 A A H X S+ 0 0 15 -4,-2.9 4,-3.2 -5,-0.2 3,-0.3 0.996 107.8 46.0 -57.8 -71.3 10.8 7.1 45.6 137 739 A I H X S+ 0 0 17 -4,-2.3 4,-2.4 1,-0.3 5,-0.4 0.881 115.3 47.0 -37.3 -61.4 11.2 9.9 43.2 138 740 A R H X S+ 0 0 117 -4,-1.8 4,-2.2 1,-0.3 -1,-0.3 0.905 113.6 49.1 -49.1 -48.8 14.8 10.7 44.3 139 741 A A H X S+ 0 0 36 -4,-2.4 4,-3.0 -3,-0.3 -1,-0.3 0.901 111.7 51.6 -58.3 -43.2 15.5 7.0 44.1 140 742 A A H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 5,-0.4 0.989 108.6 45.2 -58.7 -67.1 14.0 6.9 40.7 141 743 A Y H X S+ 0 0 5 -4,-2.4 4,-1.8 1,-0.2 6,-1.1 0.887 116.3 52.5 -45.5 -41.5 15.9 9.8 39.0 142 744 A R H X S+ 0 0 101 -4,-2.2 4,-0.5 -5,-0.4 -1,-0.2 0.960 113.3 40.0 -56.8 -58.5 18.9 8.2 40.7 143 745 A Q H < S+ 0 0 42 -4,-3.0 -2,-0.2 3,-0.2 -1,-0.2 0.808 124.8 34.6 -63.5 -38.6 18.4 4.6 39.3 144 746 A V H < S+ 0 0 1 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.926 130.3 29.9 -85.5 -50.5 17.3 5.5 35.8 145 747 A F H < S- 0 0 3 -4,-1.8 -2,-0.2 -5,-0.4 -3,-0.2 0.235 102.5-126.2 -94.7 12.8 19.4 8.6 35.0 146 748 A E S < S+ 0 0 82 -4,-0.5 2,-0.3 -6,-0.3 -4,-0.2 0.649 81.7 45.6 52.6 22.7 22.2 7.4 37.3 147 749 A R S S- 0 0 90 -6,-1.1 2,-0.6 -9,-0.1 -2,-0.3 -0.980 98.0 -76.6-176.6 166.1 22.1 10.7 39.2 148 750 A D - 0 0 72 -2,-0.3 2,-0.1 -6,-0.1 -10,-0.1 -0.700 53.2-130.0 -80.4 122.0 20.0 13.3 40.9 149 751 A L - 0 0 8 -2,-0.6 -7,-0.1 -11,-0.1 -8,-0.1 -0.449 19.8-108.4 -75.4 146.2 18.4 15.5 38.2 150 752 A E >> - 0 0 72 -2,-0.1 3,-4.1 1,-0.1 4,-2.0 -0.565 30.3-115.7 -74.9 131.4 18.7 19.3 38.4 151 753 A P H 3>>S+ 0 0 89 0, 0.0 4,-3.5 0, 0.0 5,-0.6 0.741 113.9 62.6 -35.8 -39.1 15.3 20.9 39.2 152 754 A Y H 345S+ 0 0 166 1,-0.2 -2,-0.0 3,-0.2 -3,-0.0 0.634 113.7 36.1 -68.5 -10.4 15.2 22.7 35.8 153 755 A I H <>5S+ 0 0 22 -3,-4.1 4,-1.0 3,-0.1 5,-0.5 0.757 121.2 45.8-103.3 -44.3 15.1 19.2 34.3 154 756 A I H >X5S+ 0 0 25 -4,-2.0 4,-3.0 2,-0.2 3,-0.9 0.987 122.3 36.9 -58.6 -61.5 12.9 17.6 37.0 155 757 A N H 3<5S+ 0 0 108 -4,-3.5 4,-0.5 1,-0.2 -3,-0.2 0.892 120.9 47.5 -58.8 -44.1 10.5 20.6 37.0 156 758 A S H 34 S+ 0 0 91 -4,-0.5 4,-2.2 2,-0.2 -1,-0.1 0.930 84.0 48.4 -66.4 -44.1 6.1 17.8 36.8 160 762 A A H > S+ 0 0 53 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.949 112.9 43.6 -60.3 -56.9 3.2 15.6 35.6 161 763 A L H > S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.866 114.2 51.2 -59.9 -39.3 4.5 12.2 36.7 162 764 A E H X S+ 0 0 45 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.929 112.0 47.8 -64.2 -41.5 5.6 13.5 40.0 163 765 A S H X S+ 0 0 53 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.917 112.2 48.8 -64.8 -42.5 2.2 14.9 40.4 164 766 A K H <>S+ 0 0 86 -4,-3.0 5,-2.6 2,-0.2 6,-1.1 0.903 112.9 47.4 -63.8 -41.3 0.6 11.6 39.4 165 767 A L H ><5S+ 0 0 15 -4,-2.8 3,-1.8 3,-0.2 -2,-0.2 0.963 113.1 48.2 -63.2 -52.1 2.8 9.6 41.8 166 768 A S H 3<5S+ 0 0 62 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.896 112.5 48.2 -53.7 -47.8 2.1 12.0 44.7 167 769 A N T 3<5S- 0 0 97 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.251 113.7-118.5 -82.0 15.0 -1.6 11.9 44.1 168 770 A N T < 5S+ 0 0 138 -3,-1.8 -3,-0.2 2,-0.1 -2,-0.1 0.954 77.7 128.4 43.7 63.6 -1.5 8.2 43.9 169 771 A E S - 0 0 28 -2,-0.3 4,-2.4 -3,-0.1 5,-0.3 -0.378 39.0 -93.6 -93.9 175.0 2.3 3.4 41.1 172 774 A V H > S+ 0 0 13 76,-0.4 4,-2.4 1,-0.2 77,-0.2 0.884 124.1 57.6 -57.1 -38.4 6.1 3.3 41.3 173 775 A K H > S+ 0 0 28 75,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.938 109.8 43.0 -56.8 -48.6 6.2 1.0 38.3 174 776 A E H > S+ 0 0 82 2,-0.2 4,-2.0 74,-0.2 -1,-0.2 0.891 112.1 52.1 -66.6 -42.7 4.3 3.5 36.1 175 777 A F H X S+ 0 0 1 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.911 110.3 50.9 -60.8 -40.0 6.3 6.5 37.2 176 778 A I H >X S+ 0 0 2 -4,-2.4 4,-1.6 -5,-0.3 3,-0.8 0.954 110.1 48.0 -61.1 -49.1 9.4 4.5 36.4 177 779 A E H 3X S+ 0 0 45 -4,-2.4 4,-1.5 1,-0.3 -1,-0.2 0.794 103.0 63.0 -63.4 -28.2 8.2 3.7 33.0 178 780 A G H 3< S+ 0 0 20 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.876 105.0 48.1 -62.6 -34.4 7.3 7.4 32.5 179 781 A L H X< S+ 0 0 0 -4,-1.2 3,-1.3 -3,-0.8 6,-0.5 0.881 108.9 50.1 -72.9 -41.9 11.0 8.1 32.9 180 782 A G H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.757 112.8 48.2 -69.4 -24.0 12.2 5.5 30.4 181 783 A T T 3< S+ 0 0 47 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.3 0.184 91.9 110.0 -99.5 14.9 9.8 6.7 27.8 182 784 A S S <> S- 0 0 12 -3,-1.3 4,-2.1 1,-0.1 5,-0.2 -0.689 77.5-122.8 -94.7 146.0 10.8 10.4 28.4 183 785 A E H > S+ 0 0 84 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.901 112.9 59.6 -49.2 -46.8 12.7 12.4 25.8 184 786 A L H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.954 105.1 48.9 -48.5 -54.8 15.3 13.1 28.4 185 787 A Y H >>S+ 0 0 3 -6,-0.5 4,-4.0 1,-0.3 5,-0.5 0.944 112.7 47.2 -49.5 -54.7 15.9 9.4 28.7 186 788 A X H X>S+ 0 0 14 -4,-2.1 5,-2.3 1,-0.2 4,-1.1 0.823 114.5 47.5 -55.1 -36.0 16.1 9.1 24.9 187 789 A K H <5S+ 0 0 123 -4,-3.0 -1,-0.2 -3,-0.3 -2,-0.2 0.805 120.6 37.1 -77.0 -31.1 18.5 12.1 24.8 188 790 A E H <5S+ 0 0 59 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.834 133.1 18.7 -90.2 -38.3 20.7 10.8 27.6 189 791 A F H <5S+ 0 0 9 -4,-4.0 -3,-0.2 -5,-0.3 -2,-0.2 0.481 126.6 37.3-118.2 -1.6 20.7 7.0 26.9 190 792 A Y T >< - 0 0 53 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.138 54.9 -76.3 -84.8-154.7 24.3 2.4 19.3 195 797 A N H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 3,-0.1 0.935 126.7 42.9 -77.3 -48.2 21.9 -0.6 19.7 196 798 A T H > S+ 0 0 54 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.681 112.2 53.6 -73.4 -19.4 23.8 -2.8 22.2 197 799 A K H > S+ 0 0 79 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.774 109.2 49.8 -83.9 -27.7 24.9 0.1 24.4 198 800 A V H X S+ 0 0 3 -4,-0.8 4,-2.9 2,-0.2 -2,-0.2 0.916 113.8 45.4 -70.6 -47.9 21.2 1.2 24.7 199 801 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.4 0.990 111.5 49.8 -58.5 -65.5 20.2 -2.4 25.6 200 802 A E H X S+ 0 0 73 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.884 115.1 47.8 -35.9 -56.0 23.0 -3.0 28.1 201 803 A X H X S+ 0 0 20 -4,-1.5 4,-3.0 2,-0.2 3,-0.5 0.929 110.2 47.2 -54.4 -59.0 22.1 0.3 29.7 202 804 A G H X>S+ 0 0 0 -4,-2.9 4,-3.6 1,-0.3 5,-0.6 0.905 109.5 55.1 -55.3 -43.6 18.3 -0.1 30.0 203 805 A T H X5S+ 0 0 0 -4,-2.8 6,-1.5 1,-0.2 4,-1.3 0.871 111.6 46.7 -55.6 -36.8 18.8 -3.6 31.4 204 806 A K H X5S+ 0 0 102 -4,-1.5 4,-0.9 -3,-0.5 -2,-0.2 0.970 116.8 41.8 -68.4 -55.5 20.9 -1.9 34.0 205 807 A H H <5S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.861 127.4 26.9 -61.8 -42.0 18.5 0.9 34.7 206 808 A F H <5S+ 0 0 0 -4,-3.6 -3,-0.2 -5,-0.2 -1,-0.2 0.800 133.4 26.2 -98.9 -31.2 15.3 -1.0 34.7 207 809 A L H < S- 0 0 81 1,-0.1 4,-1.5 0, 0.0 -1,-0.0 -0.896 71.1 -79.1-164.2-169.4 23.2 -13.3 27.3 214 816 A Q H > S+ 0 0 108 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.843 120.2 61.6 -76.8 -36.4 23.5 -12.4 23.7 215 817 A K H > S+ 0 0 152 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.837 105.2 49.8 -59.3 -33.6 20.1 -14.0 22.7 216 818 A E H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.977 107.4 52.1 -69.4 -55.1 18.5 -11.5 25.1 217 819 A I H X S+ 0 0 15 -4,-1.5 4,-1.8 1,-0.3 -2,-0.2 0.917 112.1 48.4 -42.3 -53.8 20.4 -8.5 23.5 218 820 A Q H X S+ 0 0 84 -4,-2.6 4,-1.2 2,-0.2 -1,-0.3 0.870 109.2 52.5 -57.0 -42.9 19.1 -9.7 20.2 219 821 A Q H >X S+ 0 0 106 -4,-1.8 4,-1.5 -3,-0.3 3,-1.1 0.971 110.4 45.4 -61.3 -55.1 15.5 -10.1 21.4 220 822 A Y H 3X S+ 0 0 27 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.829 107.1 62.0 -57.2 -31.1 15.2 -6.6 22.8 221 823 A N H 3X S+ 0 0 8 -4,-1.8 4,-2.0 -5,-0.4 -1,-0.3 0.837 101.4 51.9 -63.3 -35.0 16.8 -5.3 19.6 222 824 A Q H > S+ 0 0 5 -132,-2.5 4,-2.1 1,-0.2 3,-1.1 0.913 130.1 59.7 -69.7 -47.8 12.3 2.8 22.5 230 832 A K H 3> S+ 0 0 92 -133,-0.4 4,-1.6 1,-0.3 -1,-0.2 0.767 104.2 53.0 -55.2 -26.9 8.9 3.0 24.3 231 833 A A H 3X S+ 0 0 15 -4,-0.5 4,-1.7 -3,-0.2 -1,-0.3 0.784 107.8 52.5 -78.7 -28.5 8.3 -0.7 23.3 232 834 A F H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 3,-1.3 0.952 114.5 50.0 -60.0 -51.8 11.0 -0.0 28.2 234 836 A G H 3X S+ 0 0 7 -4,-1.6 4,-3.1 1,-0.3 5,-0.3 0.909 104.1 59.1 -53.3 -46.4 7.5 -1.4 28.4 235 837 A A H 3< S+ 0 0 39 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.751 115.1 36.7 -55.5 -26.9 8.8 -4.9 27.5 236 838 A X H << S+ 0 0 3 -3,-1.3 6,-0.3 -4,-0.9 -2,-0.2 0.814 120.3 43.4 -95.5 -36.9 11.0 -4.7 30.6 237 839 A V H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.826 120.0 40.6 -78.4 -34.5 8.8 -2.8 33.1 238 840 A N S < S+ 0 0 85 -4,-3.1 -1,-0.2 -5,-0.3 2,-0.2 0.326 96.7 115.1 -95.9 7.4 5.6 -4.7 32.3 239 841 A G S >> S- 0 0 20 -5,-0.3 4,-2.2 -3,-0.1 3,-0.6 -0.456 77.3-118.6 -80.2 149.4 7.6 -7.9 32.1 240 842 A X H 3> S+ 0 0 113 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.884 111.9 57.7 -52.6 -47.3 7.2 -10.8 34.5 241 843 A E H 3> S+ 0 0 60 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.871 108.6 47.3 -53.1 -40.5 10.7 -10.6 35.8 242 844 A Y H <>>S+ 0 0 0 -3,-0.6 4,-2.4 -6,-0.3 5,-1.4 0.957 112.2 49.1 -67.1 -50.0 10.1 -7.0 36.9 243 845 A L H <5S+ 0 0 78 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.910 117.0 40.9 -55.5 -46.9 6.8 -7.8 38.5 244 846 A Q H <5S+ 0 0 151 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.698 124.1 39.9 -77.1 -18.1 8.2 -10.7 40.5 245 847 A T H <5S+ 0 0 42 -4,-1.3 -2,-0.2 -5,-0.3 -3,-0.2 0.922 135.6 8.0 -92.5 -63.9 11.4 -8.9 41.2 246 848 A F T X5S- 0 0 4 -4,-2.4 4,-1.1 -5,-0.2 3,-0.3 0.612 85.7-155.7 -96.4 -14.1 10.4 -5.3 42.0 247 849 A G T 4< - 0 0 22 -5,-1.4 -1,-0.2 -4,-0.5 -3,-0.1 -0.172 44.8 -65.3 65.3-168.7 6.7 -5.4 42.1 248 850 A E T 4 S+ 0 0 90 1,-0.1 -75,-2.4 -5,-0.1 -76,-0.4 0.632 130.0 41.8 -91.3 -17.9 4.7 -2.2 41.4 249 851 A D T 4 S+ 0 0 113 -3,-0.3 2,-0.3 -77,-0.2 -2,-0.1 0.457 93.4 86.2-112.4 -2.7 5.8 -0.2 44.4 250 852 A T S < S- 0 0 69 -4,-1.1 -4,-0.1 3,-0.0 3,-0.1 -0.785 74.0-126.8-100.9 144.6 9.5 -0.8 44.7 251 853 A V - 0 0 25 -2,-0.3 -78,-0.1 1,-0.1 -2,-0.1 -0.736 37.1-103.2 -87.1 133.4 12.0 1.2 42.8 252 854 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 -109,-0.1 -0.146 44.4-178.3 -55.1 152.5 14.4 -1.0 40.8 253 855 A Y - 0 0 120 -46,-0.1 2,-0.2 -47,-0.1 -3,-0.0 -0.966 37.7 -76.4-148.0 161.5 17.9 -1.5 42.2 254 856 A R 0 0 222 -2,-0.3 -45,-0.2 1,-0.2 -46,-0.1 -0.436 360.0 360.0 -64.6 126.8 21.1 -3.3 41.2 255 857 A R 0 0 139 -47,-2.9 -46,-0.2 -2,-0.2 -1,-0.2 0.880 360.0 360.0-100.0 360.0 20.8 -7.0 41.8