==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 16-JAN-11 3QCM . COMPND 2 MOLECULE: RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE GAMMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SHERIFF . 574 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 15.0 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 . 8 1.4 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 . 46 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 2 0 0 0 2 0 0 2 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 6 0 2 2 0 0 0 4 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 . 4 0 0 0 0 0 0 2 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 1 825 A M 0 0 138 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 21.0 27.6 4.4 20.7 2 826 A E - 0 0 82 1,-0.1 2,-0.3 253,-0.0 253,-0.1 -0.603 360.0 -67.8-102.2 164.7 31.1 3.0 21.7 3 827 A A - 0 0 54 -2,-0.2 249,-0.2 249,-0.1 -1,-0.1 -0.435 55.0-152.6 -62.4 117.6 34.0 5.3 23.0 4 828 A I E -A 251 0A 31 247,-2.6 247,-2.4 -2,-0.3 5,-0.0 -0.736 20.4-108.5 -90.3 137.0 35.1 7.5 20.1 5 829 A P E >> -A 250 0A 62 0, 0.0 4,-2.5 0, 0.0 3,-0.7 -0.409 31.7-111.7 -65.9 146.7 38.7 8.8 19.9 6 830 A V H 3> S+ 0 0 32 243,-2.6 4,-2.1 1,-0.2 244,-0.1 0.787 118.3 53.9 -43.9 -39.9 39.1 12.6 20.5 7 831 A K H 3> S+ 0 0 158 242,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.904 111.8 43.5 -63.6 -46.2 40.1 13.2 16.8 8 832 A Q H <> S+ 0 0 104 -3,-0.7 4,-2.9 2,-0.2 -2,-0.2 0.867 109.4 58.5 -69.0 -37.8 37.0 11.4 15.5 9 833 A F H X S+ 0 0 4 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.923 104.1 51.4 -56.0 -47.7 34.8 13.2 18.2 10 834 A V H X S+ 0 0 56 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.915 113.0 44.6 -54.8 -47.6 35.9 16.5 16.7 11 835 A K H X S+ 0 0 132 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.880 110.0 56.3 -65.8 -36.8 34.9 15.3 13.2 12 836 A H H X S+ 0 0 50 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.838 100.5 58.2 -64.9 -32.0 31.6 13.9 14.7 13 837 A I H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.876 103.4 53.6 -64.0 -40.1 30.8 17.4 16.0 14 838 A G H X S+ 0 0 45 -4,-1.2 4,-1.5 -3,-0.2 -1,-0.2 0.908 108.2 49.0 -58.0 -43.1 31.0 18.7 12.4 15 839 A E H < S+ 0 0 117 -4,-1.4 8,-0.4 1,-0.2 -2,-0.2 0.834 112.2 49.5 -66.6 -37.8 28.4 16.0 11.3 16 840 A L H < S+ 0 0 3 -4,-1.8 8,-0.9 1,-0.2 7,-0.6 0.881 110.6 48.6 -71.2 -41.9 26.1 17.0 14.2 17 841 A Y H X S+ 0 0 91 -4,-2.4 4,-1.1 6,-0.1 3,-0.2 0.764 96.4 90.0 -70.5 -26.8 26.2 20.7 13.4 18 842 A S H >X S+ 0 0 53 -4,-1.5 3,-1.0 1,-0.2 4,-0.8 -0.029 77.0 33.9 -65.1 174.6 25.5 20.3 9.6 19 843 A N H >4 S- 0 0 137 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.859 139.3 -52.2 43.7 55.7 22.0 20.2 8.1 20 844 A N H 34 S- 0 0 141 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.788 101.4 -63.4 50.9 39.3 20.5 22.8 10.5 21 845 A Q H S+ 0 0 18 -7,-0.6 4,-2.5 -5,-0.5 -1,-0.2 0.855 107.1 48.8 -62.8 -39.9 22.1 15.1 14.0 24 848 A F H > S+ 0 0 0 -8,-0.9 4,-2.8 -3,-0.4 -2,-0.2 0.905 110.7 51.1 -64.3 -45.4 22.0 16.8 17.4 25 849 A S H X S+ 0 0 37 -4,-1.8 4,-2.2 -9,-0.2 -2,-0.2 0.877 112.3 46.2 -59.0 -41.8 18.1 16.7 17.2 26 850 A E H X S+ 0 0 125 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.908 113.0 49.4 -68.6 -45.8 18.2 13.0 16.4 27 851 A D H X S+ 0 0 18 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.924 114.7 45.0 -56.8 -49.7 20.8 12.3 19.2 28 852 A F H X S+ 0 0 18 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.848 110.7 52.3 -68.5 -35.8 18.6 14.2 21.7 29 853 A E H X S+ 0 0 92 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.884 109.1 51.9 -64.3 -37.1 15.4 12.6 20.5 30 854 A E H X S+ 0 0 67 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.855 111.3 46.7 -65.7 -39.0 17.2 9.2 21.1 31 855 A V H >< S+ 0 0 0 -4,-1.8 3,-0.5 1,-0.2 4,-0.4 0.928 108.5 56.3 -68.0 -47.5 18.1 10.3 24.7 32 856 A Q H 3< S+ 0 0 76 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.789 117.3 33.8 -56.1 -31.4 14.5 11.5 25.3 33 857 A R H >< S+ 0 0 136 -4,-1.3 3,-1.7 1,-0.1 4,-0.4 0.561 86.9 99.5-103.0 -12.0 13.1 8.0 24.5 34 858 A C T << S+ 0 0 33 -4,-1.1 3,-0.2 -3,-0.5 -1,-0.1 0.732 94.1 33.8 -50.9 -28.6 15.8 5.6 25.8 35 859 A T T > S+ 0 0 23 -4,-0.4 3,-1.7 -3,-0.2 5,-0.5 0.400 87.0 106.2-107.7 1.4 14.0 4.8 29.1 36 860 A A T < S+ 0 0 73 -3,-1.7 3,-0.5 1,-0.3 -2,-0.1 0.830 87.6 37.4 -50.4 -42.4 10.4 5.0 27.7 37 861 A D T 3 S+ 0 0 166 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.396 95.6 87.0 -93.0 4.6 9.9 1.2 27.8 38 862 A M S < S- 0 0 110 -3,-1.7 -1,-0.2 2,-0.1 3,-0.2 0.483 80.8-142.3 -82.9 -5.5 11.9 0.6 31.0 39 863 A N - 0 0 140 -3,-0.5 2,-0.3 -4,-0.3 -3,-0.1 0.781 27.0-173.1 46.8 35.4 8.9 1.1 33.4 40 864 A I - 0 0 42 -5,-0.5 -1,-0.2 1,-0.1 2,-0.2 -0.453 15.7-137.8 -63.5 117.5 11.3 2.9 35.9 41 865 A T + 0 0 64 -2,-0.3 22,-2.8 -3,-0.2 23,-0.4 -0.526 31.1 179.5 -83.5 150.3 9.2 3.5 39.0 42 866 A A > + 0 0 8 20,-0.3 4,-1.2 -2,-0.2 19,-0.1 -0.488 28.0 147.3-140.2 54.6 9.2 6.7 41.2 43 867 A E H >> S+ 0 0 128 2,-0.2 4,-0.7 1,-0.2 3,-0.7 0.942 71.3 50.0 -61.6 -53.8 6.5 5.5 43.8 44 868 A H H >4 S+ 0 0 64 1,-0.2 3,-0.7 2,-0.2 6,-0.2 0.855 108.0 55.9 -54.8 -38.0 8.0 7.4 46.9 45 869 A S H 34 S+ 0 0 0 16,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.840 111.4 43.1 -60.6 -40.7 8.1 10.6 44.7 46 870 A N H << S+ 0 0 80 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.425 84.2 117.1 -89.6 -3.3 4.3 10.3 44.0 47 871 A H S XX S- 0 0 74 -3,-0.7 3,-1.9 -4,-0.7 4,-0.6 -0.494 72.5-126.2 -67.2 132.5 3.2 9.4 47.5 48 872 A P G >4 S+ 0 0 89 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.779 109.2 59.4 -51.4 -31.6 0.8 12.1 48.9 49 873 A E G 34 S+ 0 0 124 1,-0.2 3,-0.2 2,-0.1 29,-0.1 0.779 111.6 42.3 -67.7 -23.6 3.0 12.5 52.1 50 874 A N G X4 S+ 0 0 0 -3,-1.9 3,-1.5 -6,-0.2 4,-0.3 0.439 84.4 96.9-101.3 -3.8 5.9 13.5 49.8 51 875 A K G X< S+ 0 0 119 -3,-0.6 3,-1.0 -4,-0.6 -1,-0.1 0.815 85.0 49.2 -56.7 -37.7 4.1 15.8 47.2 52 876 A H G 3 S+ 0 0 111 -4,-0.3 -1,-0.3 1,-0.2 53,-0.2 0.516 101.7 67.2 -77.0 -11.4 5.1 19.1 49.0 53 877 A K G < S+ 0 0 23 -3,-1.5 2,-0.4 -8,-0.1 30,-0.4 0.466 87.2 82.7 -86.6 -7.5 8.8 17.7 49.0 54 878 A N < - 0 0 17 -3,-1.0 3,-0.1 -4,-0.3 6,-0.1 -0.890 65.0-156.5-103.5 127.8 9.0 17.9 45.2 55 879 A R S S+ 0 0 41 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.862 89.0 25.8 -67.9 -39.9 9.8 21.3 43.5 56 880 A Y S > S- 0 0 71 3,-0.3 3,-1.2 171,-0.1 -1,-0.2 -0.993 76.3-136.6-127.4 132.7 8.1 20.2 40.2 57 881 A I T 3 S+ 0 0 142 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.783 107.0 44.4 -54.3 -37.3 5.2 17.6 40.1 58 882 A N T 3 S+ 0 0 84 1,-0.1 2,-0.9 2,-0.1 -1,-0.3 0.428 91.8 89.4 -89.4 -9.1 6.7 15.9 37.0 59 883 A I < + 0 0 11 -3,-1.2 -3,-0.3 -14,-0.1 2,-0.2 -0.830 64.4 175.2 -98.2 97.8 10.4 15.9 38.3 60 884 A L - 0 0 30 -2,-0.9 2,-0.5 -6,-0.1 205,-0.4 -0.462 35.0-126.6-103.6 168.2 10.7 12.6 40.1 61 885 A A - 0 0 0 -2,-0.2 -16,-0.4 -19,-0.1 5,-0.1 -0.962 33.7-123.7-118.8 105.3 13.3 10.6 41.9 62 886 A Y >> - 0 0 25 -2,-0.5 4,-1.3 201,-0.2 3,-0.9 -0.211 15.6-131.0 -51.9 135.0 13.5 7.0 40.6 63 887 A D G >4 S+ 0 0 26 -22,-2.8 3,-0.6 1,-0.2 -21,-0.1 0.913 101.4 54.8 -54.2 -51.0 13.1 4.4 43.3 64 888 A H G 34 S+ 0 0 120 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.601 121.0 27.7 -61.0 -23.8 16.1 2.2 42.5 65 889 A S G <4 S+ 0 0 11 -3,-0.9 21,-2.7 198,-0.1 -1,-0.2 0.432 88.8 125.8-121.2 -4.8 18.6 5.1 42.6 66 890 A R E << -B 85 0B 10 -4,-1.3 2,-0.5 -3,-0.6 19,-0.3 -0.149 64.7-115.2 -59.5 147.5 17.0 7.5 45.1 67 891 A V E - 0 0 0 17,-1.9 15,-0.5 15,-0.3 2,-0.5 -0.774 31.6-148.7 -83.8 122.2 19.0 8.7 48.1 68 892 A K E -B 81 0B 97 -2,-0.5 2,-0.2 13,-0.1 13,-0.2 -0.866 5.9-136.2 -98.1 127.4 17.3 7.4 51.2 69 893 A L - 0 0 2 11,-2.9 3,-0.1 -2,-0.5 44,-0.1 -0.579 35.7-101.7 -73.7 141.5 17.4 9.5 54.4 70 894 A R - 0 0 145 -2,-0.2 -1,-0.1 1,-0.1 46,-0.0 -0.517 58.4 -85.1 -67.7 120.5 18.1 7.2 57.5 71 895 A P - 0 0 113 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.048 44.8-135.3 -37.6 136.0 14.7 6.8 59.2 72 896 A L - 0 0 66 4,-0.4 7,-0.1 -3,-0.1 6,-0.1 -0.857 31.7 -86.6-104.1 125.9 13.7 9.6 61.7 73 897 A P 0 0 134 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.130 360.0 360.0 -33.2 118.0 12.1 9.0 65.2 74 898 A G 0 0 112 2,-0.0 5,-0.0 -3,-0.0 0, 0.0 -0.955 360.0 360.0 170.5 360.0 8.3 8.7 65.0 75 ! 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 76 901 A S > 0 0 76 0, 0.0 3,-1.5 0, 0.0 -4,-0.4 0.000 360.0 360.0 360.0 158.3 7.8 8.8 60.2 77 902 A K T 3 + 0 0 90 1,-0.3 3,-0.2 2,-0.1 -3,-0.0 0.705 360.0 34.7 -58.5 -28.4 6.9 6.4 57.3 78 903 A H T > S+ 0 0 34 1,-0.1 3,-1.0 2,-0.1 -1,-0.3 0.072 82.8 106.6-117.7 22.6 8.0 9.0 54.7 79 904 A S T < S+ 0 0 19 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.554 72.4 66.5 -77.2 -7.3 10.9 10.5 56.6 80 905 A D T 3 S+ 0 0 34 -4,-0.2 -11,-2.9 -3,-0.2 2,-0.4 0.565 80.9 108.8 -87.6 -12.6 13.4 8.7 54.3 81 906 A Y E < +B 68 0B 0 -3,-1.0 2,-0.3 -13,-0.2 -13,-0.1 -0.573 29.4 151.0 -81.4 130.9 12.3 10.7 51.2 82 907 A I E - 0 0 9 -15,-0.5 2,-1.9 -2,-0.4 -15,-0.3 -0.978 51.5-116.7-144.6 138.9 14.3 13.4 49.3 83 908 A N E S+ 0 0 1 -30,-0.4 17,-1.5 -2,-0.3 2,-0.3 -0.645 78.3 114.4 -79.3 83.3 14.0 14.2 45.6 84 909 A A E - C 0 99B 0 -2,-1.9 -17,-1.9 15,-0.2 2,-0.3 -0.971 45.8-163.9-154.4 143.7 17.7 13.1 45.0 85 910 A N E -BC 66 98B 0 13,-2.5 13,-3.0 -2,-0.3 -19,-0.2 -0.978 25.2-117.4-135.3 146.9 19.3 10.3 43.0 86 911 A Y E - C 0 97B 40 -21,-2.7 2,-0.4 -2,-0.3 11,-0.2 -0.572 36.0-167.8 -75.1 140.4 22.8 8.7 43.0 87 912 A V E - C 0 96B 0 9,-2.5 9,-2.4 -2,-0.2 8,-0.4 -0.998 17.4-119.3-138.1 134.7 24.4 9.2 39.5 88 913 A D E - 0 0 27 -2,-0.4 5,-0.2 6,-0.3 2,-0.2 -0.370 24.3-165.2 -72.3 154.8 27.5 7.6 38.2 89 914 A G E > - C 0 92B 8 3,-3.2 3,-1.1 -2,-0.1 2,-0.4 -0.516 48.3 -49.6-119.4-171.9 30.6 9.4 37.1 90 915 A Y T 3 S- 0 0 40 1,-0.3 -1,-0.1 -2,-0.2 3,-0.0 -0.570 122.9 -18.8 -69.6 121.0 33.6 8.2 35.1 91 916 A N T 3 S+ 0 0 133 -2,-0.4 2,-0.3 1,-0.1 -1,-0.3 0.691 124.8 94.7 53.0 21.8 34.9 4.9 36.5 92 917 A K E X -C 89 0B 87 -3,-1.1 -3,-3.2 0, 0.0 3,-0.9 -0.854 66.2-148.4-146.5 107.7 33.0 5.7 39.7 93 918 A A E 3 S+ 0 0 70 -2,-0.3 -5,-0.1 1,-0.2 -3,-0.0 -0.462 87.5 11.5 -69.7 145.8 29.5 4.4 40.4 94 919 A K E 3 S+ 0 0 115 1,-0.1 -6,-0.3 -2,-0.1 -1,-0.2 0.819 78.0 151.3 51.1 40.5 27.4 6.9 42.6 95 920 A A E < + 0 0 2 -3,-0.9 126,-2.3 -8,-0.4 2,-0.3 0.721 63.8 32.7 -70.3 -21.7 30.0 9.7 42.1 96 921 A Y E -Cd 87 221B 1 -9,-2.4 -9,-2.5 124,-0.3 2,-0.5 -0.907 63.0-141.5-134.9 161.3 27.2 12.2 42.5 97 922 A I E -Cd 86 222B 0 124,-2.1 126,-3.2 -2,-0.3 2,-0.6 -0.998 24.8-158.8-116.8 114.2 23.9 13.0 44.1 98 923 A A E +Cd 85 223B 0 -13,-3.0 -13,-2.5 -2,-0.5 2,-0.3 -0.879 27.3 159.9 -97.1 121.3 21.7 14.8 41.6 99 924 A T E -Cd 84 224B 1 124,-2.3 126,-0.7 -2,-0.6 -15,-0.2 -0.943 39.9 -99.9-142.6 162.4 19.0 16.7 43.4 100 925 A Q - 0 0 5 -17,-1.5 127,-0.2 -2,-0.3 126,-0.2 -0.367 53.3 -87.2 -74.7 163.7 16.6 19.6 43.1 101 926 A G - 0 0 0 125,-3.0 -1,-0.1 34,-0.3 -46,-0.1 -0.580 63.6-106.9 -66.4 123.0 17.2 23.1 44.5 102 927 A P - 0 0 2 0, 0.0 35,-1.3 0, 0.0 2,-0.2 -0.236 26.6-135.4 -61.2 154.9 15.9 22.5 48.1 103 928 A L >> - 0 0 29 -50,-0.1 3,-2.4 33,-0.1 4,-0.8 -0.681 28.9-107.7 -98.8 158.7 12.6 24.1 49.4 104 929 A K G >4 S+ 0 0 159 1,-0.3 3,-0.8 -2,-0.2 4,-0.3 0.900 125.7 54.7 -52.9 -37.9 12.2 25.8 52.8 105 930 A S G 34 S+ 0 0 68 1,-0.2 -1,-0.3 -53,-0.2 4,-0.1 0.538 113.1 41.6 -72.5 -9.1 10.2 22.6 53.7 106 931 A T G <> S+ 0 0 6 -3,-2.4 4,-2.7 2,-0.1 -1,-0.2 0.339 79.4 103.7-120.7 6.2 13.2 20.3 52.7 107 932 A F H S+ 0 0 115 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.911 113.0 47.5 -66.4 -45.6 16.5 19.8 57.0 109 934 A D H > S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.893 111.7 52.5 -60.5 -43.1 16.3 16.8 54.7 110 935 A F H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.931 114.2 39.8 -60.6 -52.2 18.9 18.4 52.4 111 936 A W H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.839 114.5 53.6 -69.4 -34.5 21.5 19.1 55.2 112 937 A R H X S+ 0 0 18 -4,-2.4 4,-3.5 2,-0.2 5,-0.2 0.920 108.3 50.1 -66.1 -43.5 20.7 15.7 56.8 113 938 A M H X S+ 0 0 1 -4,-2.7 4,-3.1 2,-0.2 6,-0.2 0.939 110.3 50.5 -58.5 -47.7 21.4 13.9 53.5 114 939 A I H X>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 4,-0.7 0.930 115.3 43.3 -54.6 -49.9 24.7 15.9 53.2 115 940 A W H ><5S+ 0 0 22 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24.9 18.6 42.3 224 1059 A H E +df 99 124B 0 -101,-2.9 -99,-2.6 -2,-0.4 -124,-0.2 -0.985 17.2 163.3-142.7 156.3 21.8 20.7 42.0 225 1060 A C S S- 0 0 6 -126,-0.7 -99,-0.2 -2,-0.3 -102,-0.0 -0.146 70.8 -59.8-132.7-122.0 20.2 23.5 39.8 226 1061 A S S S+ 0 0 11 -101,-0.2 -125,-3.0 -126,-0.2 -171,-0.1 0.904 135.1 13.6 -93.7 -65.6 16.4 24.2 40.1 227 1062 A A S S- 0 0 17 -127,-0.2 -127,-0.1 -172,-0.1 -171,-0.1 0.673 101.8-123.9 -78.0 -19.7 14.8 20.8 39.1 228 1063 A G S S+ 0 0 0 -128,-0.1 -128,-0.1 -129,-0.0 -5,-0.1 0.759 90.8 81.5 77.1 30.3 18.2 19.0 39.5 229 1064 A V S > S+ 0 0 1 3,-0.1 39,-2.1 38,-0.1 4,-1.6 0.688 80.5 45.6-125.7 -50.1 18.0 17.7 35.9 230 1065 A G H > S+ 0 0 5 37,-0.2 4,-1.8 38,-0.2 38,-0.5 0.997 125.9 17.4 -66.9 -81.0 19.1 20.2 33.2 231 1066 A R H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.792 124.5 62.3 -64.9 -31.1 22.3 21.9 34.2 232 1067 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.954 108.4 40.3 -57.6 -53.5 22.9 19.1 36.8 233 1068 A G H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 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2,-0.2 -1,-0.2 0.903 115.3 50.5 -68.6 -39.6 27.1 7.9 29.0 257 1092 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.923 108.9 50.5 -63.6 -46.1 24.1 10.2 28.9 258 1093 A K H < S+ 0 0 49 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.872 112.1 50.2 -59.2 -36.7 21.7 7.3 27.9 259 1094 A H H >< S+ 0 0 81 -4,-1.7 3,-1.3 1,-0.2 4,-0.4 0.910 109.9 48.1 -66.1 -46.8 23.2 5.4 30.9 260 1095 A I H >X S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 4,-1.3 0.783 98.1 70.6 -69.8 -22.0 22.6 8.3 33.4 261 1096 A R T 3< S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.686 92.3 58.5 -64.1 -20.1 19.0 8.7 32.1 262 1097 A T T <4 S+ 0 0 33 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.720 106.5 50.0 -78.4 -23.7 18.3 5.4 33.9 263 1098 A Q T <4 S+ 0 0 20 -3,-1.3 2,-0.3 -4,-0.4 -201,-0.2 0.797 126.8 3.6 -86.4 -33.9 19.5 7.0 37.2 264 1099 A R S >< S- 0 0 0 -4,-1.3 3,-0.9 -203,-0.1 -1,-0.3 -0.954 83.3-106.8-154.7 135.1 17.4 10.3 37.2 265 1100 A N T 3 S+ 0 0 6 -205,-0.4 -3,-0.1 -2,-0.3 4,-0.1 -0.297 94.1 7.4 -62.0 146.9 14.8 11.5 34.7 266 1101 A Y T 3 S+ 0 0 87 1,-0.2 -1,-0.2 -5,-0.1 -33,-0.1 0.515 72.5 174.0 59.3 16.1 15.6 14.3 32.2 267 1102 A L S < S+ 0 0 0 -3,-0.9 -37,-0.2 -7,-0.1 -1,-0.2 -0.380 78.5 21.0 -56.5 122.8 19.3 14.6 33.0 268 1103 A V S S- 0 0 0 -39,-2.1 -38,-0.2 -38,-0.5 -1,-0.1 0.950 89.3-165.8 68.2 82.7 20.5 17.2 30.2 269 1104 A Q + 0 0 93 -4,-0.1 2,-0.3 4,-0.0 -39,-0.1 0.715 55.1 43.6 -78.1 -27.9 16.9 18.4 29.8 270 1105 A T S > S- 0 0 38 1,-0.1 4,-1.9 -40,-0.1 3,-0.1 -0.901 74.0-124.2-123.6 157.1 17.2 20.4 26.5 271 1106 A E H > S+ 0 0 49 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.834 114.7 59.9 -58.1 -37.1 18.8 20.0 23.1 272 1107 A E H > S+ 0 0 111 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.927 105.8 45.9 -59.6 -48.2 20.6 23.3 23.8 273 1108 A Q H > S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 111.7 53.7 -61.8 -38.9 22.3 21.8 26.9 274 1109 A Y H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.890 112.2 42.4 -63.3 -44.7 23.1 18.7 24.8 275 1110 A I H X S+ 0 0 18 -4,-2.5 4,-2.2 1,-0.2 3,-0.5 0.918 109.6 59.9 -66.7 -43.7 24.8 20.9 22.1 276 1111 A F H X S+ 0 0 31 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.866 100.0 55.8 -50.9 -42.4 26.5 22.9 24.9 277 1112 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.901 108.7 47.6 -55.1 -48.1 28.2 19.7 26.2 278 1113 A H H X S+ 0 0 2 -4,-1.0 4,-2.5 -3,-0.5 -2,-0.2 0.916 112.6 48.3 -62.1 -45.1 29.8 19.2 22.8 279 1114 A D H X S+ 0 0 42 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.935 113.3 47.4 -59.8 -48.2 30.9 22.8 22.5 280 1115 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.887 114.0 47.4 -61.8 -42.9 32.4 22.7 26.0 281 1116 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.864 109.0 53.5 -68.0 -37.5 34.2 19.4 25.3 282 1117 A L H X S+ 0 0 39 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.934 109.2 49.5 -62.0 -45.9 35.6 20.6 21.9 283 1118 A E H X S+ 0 0 66 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.870 111.1 49.7 -61.0 -38.8 37.1 23.7 23.7 284 1119 A A H < S+ 0 0 11 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.886 111.7 47.3 -65.5 -42.3 38.7 21.4 26.4 285 1120 A I H < S+ 0 0 27 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.887 114.7 48.1 -64.0 -43.0 40.2 19.1 23.7 286 1121 A L H < S+ 0 0 111 -4,-2.5 2,-3.7 1,-0.2 -2,-0.2 0.784 84.4 93.3 -69.9 -29.1 41.4 22.3 21.9 287 1122 A G < 0 0 68 -4,-1.8 -1,-0.2 -5,-0.2 -3,-0.1 -0.265 360.0 360.0 -64.1 57.0 42.9 23.7 25.1 288 1123 A K 0 0 131 -2,-3.7 -3,-0.0 0, 0.0 -2,-0.0 -0.951 360.0 360.0-126.4 360.0 46.2 22.1 24.1 289 !* 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 0.0 290 825 B M 0 0 142 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 0.6 28.1 32.6 83.7 291 826 B E - 0 0 83 1,-0.1 2,-0.3 254,-0.0 254,-0.1 -0.565 360.0 -69.5 -90.8 163.3 29.4 35.0 86.4 292 827 B A - 0 0 54 -2,-0.2 250,-0.2 250,-0.1 -1,-0.1 -0.430 55.3-153.1 -62.7 117.2 31.5 33.5 89.3 293 828 B I E -K 541 0D 34 248,-2.6 248,-2.4 -2,-0.3 5,-0.1 -0.737 20.6-107.8 -90.7 137.6 29.1 31.4 91.5 294 829 B P E >> -K 540 0D 63 0, 0.0 4,-2.6 0, 0.0 3,-0.7 -0.397 32.5-111.4 -66.0 146.7 29.8 30.8 95.2 295 830 B V H 3> S+ 0 0 31 244,-2.6 4,-2.1 1,-0.2 245,-0.1 0.787 118.5 53.5 -44.0 -40.2 30.9 27.2 96.1 296 831 B K H 3> S+ 0 0 157 243,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 112.2 43.5 -64.2 -46.4 27.6 26.6 98.0 297 832 B Q H <> S+ 0 0 108 -3,-0.7 4,-3.0 2,-0.2 -2,-0.2 0.869 109.8 57.9 -68.5 -37.6 25.5 27.7 94.9 298 833 B F H X S+ 0 0 4 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.921 104.6 50.9 -56.7 -47.2 27.9 25.7 92.6 299 834 B V H X S+ 0 0 52 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.912 113.3 44.9 -56.4 -46.7 27.0 22.5 94.6 300 835 B K H X S+ 0 0 132 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.877 110.1 55.6 -65.9 -36.4 23.3 23.3 94.2 301 836 B H H X S+ 0 0 50 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.839 101.9 56.9 -65.0 -32.6 23.9 24.1 90.5 302 837 B I H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.857 104.6 53.5 -64.1 -38.7 25.4 20.6 90.0 303 838 B G H X S+ 0 0 42 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.912 108.5 47.2 -60.9 -47.7 22.1 19.1 91.3 304 839 B E H < S+ 0 0 133 -4,-1.5 8,-0.4 2,-0.2 -2,-0.2 0.888 113.3 50.5 -59.6 -43.3 20.1 21.1 88.7 305 840 B L H < S+ 0 0 4 -4,-2.1 8,-0.9 1,-0.2 7,-0.5 0.873 114.2 42.3 -63.6 -44.2 22.6 19.9 86.0 306 841 B Y H X S+ 0 0 85 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-2,-0.2 -5,-0.1 -1,-0.2 0.867 140.2 1.3 -72.0 -47.2 41.4 32.1 96.4 538 1083 B K H <5S- 0 0 121 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.2 0.444 85.5-120.8-126.9 -3.8 37.7 33.3 96.3 539 1084 B S S < + 0 0 38 -2,-0.3 4,-2.8 -250,-0.2 5,-0.3 -0.406 18.5 152.9-147.7 60.9 33.0 29.5 86.8 543 1088 B V H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.926 77.9 41.3 -57.3 -56.2 33.3 26.3 84.8 544 1089 B L H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.924 118.7 46.7 -60.6 -48.3 31.1 27.3 81.8 545 1090 B G H > S+ 0 0 10 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.890 115.8 43.1 -61.0 -49.4 32.5 30.8 81.7 546 1091 B F H X S+ 0 0 22 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.906 115.2 50.0 -69.0 -38.6 36.2 29.8 81.9 547 1092 B L H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.2 0.923 109.4 50.3 -65.1 -45.4 35.7 26.9 79.4 548 1093 B K H < S+ 0 0 50 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.877 112.2 50.3 -58.5 -38.0 33.9 29.2 76.9 549 1094 B H H >< S+ 0 0 79 -4,-1.7 3,-1.3 1,-0.2 4,-0.4 0.911 109.8 47.9 -65.4 -47.1 36.8 31.6 77.2 550 1095 B I H >X S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 4,-1.3 0.785 97.9 70.9 -69.8 -22.6 39.5 28.9 76.7 551 1096 B R T 3< S+ 0 0 6 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.700 92.2 58.4 -62.9 -21.6 37.6 27.7 73.6 552 1097 B T T <4 S+ 0 0 31 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.710 106.8 49.8 -76.9 -23.2 38.8 30.9 71.9 553 1098 B Q T <4 S+ 0 0 21 -3,-1.4 2,-0.3 -4,-0.4 -202,-0.2 0.792 126.5 4.2 -88.4 -33.1 42.4 29.9 72.6 554 1099 B R S >< S- 0 0 0 -4,-1.3 3,-0.9 -204,-0.1 -1,-0.3 -0.958 83.2-107.0-154.8 135.5 42.5 26.2 71.3 555 1100 B N T 3 S+ 0 0 5 -206,-0.4 -3,-0.1 -2,-0.3 4,-0.1 -0.308 93.9 7.1 -63.4 147.3 39.7 24.3 69.5 556 1101 B Y T 3 S+ 0 0 35 1,-0.2 -1,-0.2 -5,-0.1 -33,-0.1 0.505 72.7 173.7 59.0 16.0 37.8 21.5 71.3 557 1102 B L S < S+ 0 0 0 -3,-0.9 -37,-0.2 -7,-0.1 -1,-0.2 -0.369 78.7 20.5 -56.0 121.8 39.3 22.0 74.8 558 1103 B V S S- 0 0 0 -39,-2.2 -38,-0.2 -38,-0.5 -1,-0.1 0.951 89.4-165.3 68.4 82.9 37.1 19.6 76.9 559 1104 B Q + 0 0 75 -4,-0.1 2,-0.3 1,-0.0 -39,-0.1 0.718 55.4 42.4 -77.6 -28.3 36.2 17.5 73.9 560 1105 B T S > S- 0 0 40 1,-0.1 4,-1.8 -40,-0.0 3,-0.1 -0.905 74.2-123.4-124.1 156.5 33.2 15.4 75.2 561 1106 B E H > S+ 0 0 49 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.833 114.8 59.9 -57.5 -37.6 30.2 15.9 77.4 562 1107 B E H > S+ 0 0 113 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.930 105.9 45.8 -59.3 -47.7 31.6 13.1 79.6 563 1108 B Q H > S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 111.9 53.1 -61.9 -39.3 34.8 15.1 80.3 564 1109 B Y H X S+ 0 0 0 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.877 112.2 43.0 -62.9 -43.4 32.6 18.2 81.0 565 1110 B I H X S+ 0 0 19 -4,-2.4 4,-2.3 2,-0.2 3,-0.2 0.887 109.5 59.8 -69.2 -40.3 30.5 16.2 83.6 566 1111 B F H X S+ 0 0 34 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.880 100.1 55.4 -54.7 -43.1 33.8 14.7 84.9 567 1112 B I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.903 109.3 46.8 -54.9 -48.4 35.1 18.3 85.7 568 1113 B H H X S+ 0 0 3 -4,-1.0 4,-2.6 -3,-0.2 -2,-0.2 0.914 112.9 48.6 -63.4 -43.9 31.9 19.0 87.9 569 1114 B D H X S+ 0 0 52 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.927 113.4 47.3 -60.5 -47.7 32.3 15.6 89.7 570 1115 B A H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.898 115.1 45.5 -62.0 -42.5 36.0 16.3 90.4 571 1116 B L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.861 110.0 54.5 -69.7 -36.9 35.3 19.8 91.6 572 1117 B L H X S+ 0 0 41 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.902 109.2 48.5 -60.9 -45.0 32.3 18.6 93.8 573 1118 B E H X S+ 0 0 65 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.884 110.3 51.3 -64.1 -39.1 34.7 16.0 95.5 574 1119 B A H < S+ 0 0 9 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.893 110.5 49.0 -62.6 -42.6 37.3 18.8 96.1 575 1120 B I H >< S+ 0 0 28 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.886 117.0 41.4 -64.2 -41.7 34.5 21.0 97.7 576 1121 B L H 3< S+ 0 0 118 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.852 108.4 58.6 -73.6 -41.9 33.4 18.1 99.9 577 1122 B G T 3< + 0 0 57 -4,-2.7 2,-3.3 -5,-0.2 -1,-0.2 0.344 64.7 124.2 -73.9 3.0 36.8 16.8 100.9 578 1123 B K < 0 0 85 -3,-0.6 -1,-0.2 -4,-0.3 -4,-0.1 -0.238 360.0 360.0 -65.5 56.6 37.9 20.2 102.4 579 1124 B E 0 0 140 -2,-3.3 -1,-0.0 0, 0.0 0, 0.0 -0.623 360.0 360.0 70.9 360.0 38.7 18.3 105.7