==== 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 3QCI . COMPND 2 MOLECULE: RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE GAMMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SHERIFF . 285 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 14.7 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 . 5 1.8 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 . 24 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 28.4 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 0 0 0 1 0 1 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 3 0 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 1 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 0 142 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 78.7 25.0 7.2 71.4 2 826 A E - 0 0 77 1,-0.2 252,-0.1 249,-0.0 253,-0.1 -0.562 360.0 -26.3-130.4-162.2 22.5 5.9 68.8 3 827 A A - 0 0 51 -2,-0.2 249,-0.2 249,-0.1 -1,-0.2 -0.104 49.8-147.2 -59.0 143.5 18.9 6.6 67.7 4 828 A I E -A 251 0A 44 247,-3.3 247,-2.5 -3,-0.1 5,-0.1 -0.941 26.1-110.7-111.1 126.5 16.3 8.0 70.2 5 829 A P E >> -A 250 0A 54 0, 0.0 3,-1.8 0, 0.0 4,-0.8 -0.275 27.5-123.0 -56.4 141.0 12.6 7.0 69.8 6 830 A V H 3> S+ 0 0 28 243,-2.7 4,-0.8 1,-0.3 3,-0.2 0.752 107.9 63.3 -61.4 -23.0 10.6 10.0 68.6 7 831 A K H 34 S+ 0 0 191 242,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.716 110.6 36.0 -76.9 -22.0 8.3 9.7 71.6 8 832 A Q H <> S+ 0 0 103 -3,-1.8 4,-1.8 2,-0.1 -1,-0.2 0.424 98.4 80.9-108.1 -2.5 11.1 10.4 74.1 9 833 A F H X S+ 0 0 3 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.897 91.1 52.1 -69.1 -40.4 13.0 12.9 71.9 10 834 A V H X S+ 0 0 37 -4,-0.8 4,-1.4 1,-0.2 -1,-0.2 0.897 109.7 48.9 -64.1 -42.2 10.6 15.7 72.9 11 835 A K H > S+ 0 0 152 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.896 108.1 56.3 -58.9 -42.3 11.2 14.9 76.5 12 836 A H H X S+ 0 0 49 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.880 99.7 58.0 -59.6 -41.3 14.9 15.0 75.8 13 837 A I H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.915 102.1 55.9 -57.7 -43.5 14.6 18.5 74.4 14 838 A G H X S+ 0 0 44 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.929 109.3 45.9 -50.0 -49.0 13.3 19.5 77.8 15 839 A E H < S+ 0 0 110 -4,-1.5 8,-0.4 1,-0.2 -2,-0.2 0.892 110.8 51.9 -65.4 -40.2 16.4 18.1 79.4 16 840 A L H < S+ 0 0 7 -4,-2.5 8,-1.8 1,-0.2 7,-0.6 0.842 113.3 46.1 -64.7 -33.8 18.8 19.7 76.9 17 841 A Y H X S+ 0 0 72 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.773 92.8 98.6 -77.0 -31.1 17.1 23.1 77.5 18 842 A S H X>S+ 0 0 55 -4,-1.6 4,-1.1 2,-0.2 5,-0.6 -0.025 78.1 27.4 -63.2 164.3 17.0 23.0 81.3 19 843 A N H >45S- 0 0 136 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.926 143.3 -48.7 52.5 49.3 19.6 24.7 83.5 20 844 A N H 345S- 0 0 138 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.867 102.4 -59.0 55.9 46.2 20.2 27.3 80.8 21 845 A Q H 3X5S+ 0 0 67 -4,-2.8 4,-2.4 -3,-0.2 -1,-0.2 0.742 87.9 150.2 65.4 23.5 20.7 24.9 77.9 22 846 A H H S+ 0 0 0 -8,-1.8 4,-2.3 -6,-0.2 -1,-0.2 0.885 110.1 53.2 -64.2 -38.3 22.7 21.7 74.5 25 849 A S H X S+ 0 0 27 -4,-2.4 4,-2.0 -9,-0.3 -2,-0.2 0.926 108.8 48.0 -66.0 -42.8 26.0 23.2 75.4 26 850 A E H X S+ 0 0 91 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.883 112.1 50.7 -63.3 -41.4 27.6 19.9 76.2 27 851 A D H X S+ 0 0 26 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.937 111.9 44.7 -60.2 -49.4 26.2 18.3 73.0 28 852 A F H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.839 111.4 52.9 -72.1 -33.6 27.5 21.0 70.7 29 853 A E H X S+ 0 0 89 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.874 107.6 52.1 -66.2 -39.0 30.9 21.1 72.3 30 854 A E H X S+ 0 0 61 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.941 109.2 51.5 -57.3 -46.0 31.1 17.4 71.8 31 855 A V H < S+ 0 0 0 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.897 109.9 47.9 -58.0 -42.7 30.3 18.1 68.2 32 856 A Q H < S+ 0 0 96 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.827 116.0 43.5 -72.8 -29.5 33.1 20.7 67.9 33 857 A R H >< S+ 0 0 140 -4,-2.1 3,-3.2 1,-0.2 4,-0.4 0.653 89.5 91.0 -81.0 -16.6 35.6 18.3 69.6 34 858 A C T 3< S+ 0 0 33 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.677 89.1 47.8 -57.9 -17.4 34.3 15.4 67.4 35 859 A T T > S+ 0 0 47 -3,-0.5 3,-2.0 -4,-0.3 -1,-0.3 0.574 85.6 102.5 -93.0 -13.5 36.9 16.3 64.8 36 860 A A T < S+ 0 0 68 -3,-3.2 2,-0.4 1,-0.3 -2,-0.1 0.836 84.0 36.9 -43.7 -64.1 39.7 16.5 67.5 37 861 A D T 3 S+ 0 0 171 -4,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.019 108.4 94.8 -80.5 32.2 41.6 13.3 66.9 38 862 A M < - 0 0 85 -3,-2.0 2,-0.6 -2,-0.4 -3,-0.0 -0.973 54.8-166.2-137.4 121.3 40.9 13.7 63.3 39 863 A N - 0 0 148 -2,-0.4 2,-0.5 2,-0.0 -3,-0.0 -0.917 11.7-176.6-103.0 122.5 43.0 15.2 60.5 40 864 A I - 0 0 33 -2,-0.6 2,-0.1 -5,-0.0 -2,-0.0 -0.975 20.5-134.0-122.5 120.7 41.0 15.9 57.3 41 865 A T + 0 0 74 -2,-0.5 22,-3.1 1,-0.1 23,-0.4 -0.407 28.2 172.0 -79.3 143.3 43.0 17.2 54.3 42 866 A A > + 0 0 8 20,-0.3 4,-1.2 -2,-0.1 19,-0.1 -0.380 23.6 145.2-139.2 56.7 41.9 20.1 52.2 43 867 A E T 4 S+ 0 0 133 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.896 71.5 54.4 -64.6 -42.5 45.0 20.6 50.0 44 868 A H T >4 S+ 0 0 64 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.865 106.3 52.3 -61.2 -37.2 43.0 21.6 46.9 45 869 A S T 34 S+ 0 0 0 16,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.815 111.8 47.5 -66.5 -30.0 41.2 24.3 48.9 46 870 A N T 3< S+ 0 0 74 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.404 81.9 118.5 -93.8 0.0 44.6 25.7 50.1 47 871 A H S X> S- 0 0 69 -3,-0.8 3,-2.5 -4,-0.5 4,-0.7 -0.500 71.5-126.1 -72.6 137.5 46.3 25.7 46.7 48 872 A P G >4 S+ 0 0 97 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.798 109.9 55.9 -52.6 -31.5 47.3 29.2 45.6 49 873 A E G 34 S+ 0 0 86 1,-0.2 28,-0.1 2,-0.1 -2,-0.1 0.639 110.4 44.3 -78.5 -13.4 45.5 28.8 42.3 50 874 A N G X4 S+ 0 0 0 -3,-2.5 3,-1.3 -6,-0.1 -1,-0.2 0.423 86.6 93.6-108.8 -2.8 42.2 28.0 44.1 51 875 A K G X< S+ 0 0 103 -4,-0.7 3,-2.3 -3,-0.5 -2,-0.1 0.905 80.5 53.6 -61.4 -48.1 42.3 30.7 46.8 52 876 A H G 3 S+ 0 0 113 -4,-0.4 -1,-0.3 1,-0.3 52,-0.1 0.548 101.3 66.9 -66.6 -4.3 40.3 33.4 44.9 53 877 A K G < S+ 0 0 19 -3,-1.3 2,-0.5 -8,-0.1 29,-0.5 0.496 86.3 80.3 -93.7 -7.2 37.7 30.6 44.6 54 878 A N < - 0 0 17 -3,-2.3 3,-0.1 -4,-0.2 6,-0.1 -0.895 65.2-154.3-102.8 128.6 37.0 30.5 48.3 55 879 A R S S+ 0 0 40 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.918 87.7 30.7 -63.4 -45.8 34.7 33.1 49.9 56 880 A Y S > S- 0 0 67 3,-0.3 3,-1.5 171,-0.1 -1,-0.2 -0.964 74.8-139.4-120.3 136.0 36.3 32.8 53.4 57 881 A I T 3 S+ 0 0 156 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.638 104.8 46.3 -68.1 -13.1 40.0 31.8 53.8 58 882 A N T 3 S+ 0 0 97 1,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.464 92.6 84.1-107.6 -4.8 39.1 29.6 56.7 59 883 A I < + 0 0 4 -3,-1.5 -3,-0.3 -14,-0.1 2,-0.1 -0.852 64.1 174.4-108.3 105.3 36.1 27.7 55.2 60 884 A L - 0 0 29 -2,-0.8 2,-0.6 -6,-0.1 205,-0.4 -0.457 35.1-120.2-112.8 173.0 37.4 24.9 53.1 61 885 A A - 0 0 0 -19,-0.1 -16,-0.3 -2,-0.1 -17,-0.1 -0.912 34.2-124.8-118.4 102.7 36.3 21.9 51.1 62 886 A Y > - 0 0 31 -2,-0.6 4,-1.2 201,-0.1 3,-0.5 -0.098 17.9-130.2 -43.7 133.0 37.6 18.5 52.4 63 887 A D T >4 S+ 0 0 28 -22,-3.1 3,-0.8 1,-0.2 -21,-0.1 0.920 99.9 53.8 -54.0 -51.8 39.5 16.6 49.7 64 888 A H T 34 S+ 0 0 122 -23,-0.4 -1,-0.2 1,-0.3 199,-0.1 0.787 120.8 29.7 -62.9 -30.3 37.8 13.2 50.1 65 889 A S T 34 S+ 0 0 11 -3,-0.5 20,-2.9 197,-0.1 -1,-0.3 0.466 89.1 126.7-108.3 -4.9 34.2 14.6 49.8 66 890 A R E << -B 84 0B 10 -4,-1.2 2,-0.4 -3,-0.8 18,-0.3 -0.220 64.2-116.6 -61.9 139.8 34.8 17.6 47.5 67 891 A V E - 0 0 0 16,-1.4 14,-0.6 14,-0.3 2,-0.5 -0.639 31.8-145.4 -72.6 129.1 32.8 17.9 44.3 68 892 A K E -B 80 0B 129 -2,-0.4 2,-0.3 12,-0.1 12,-0.2 -0.866 1.4-144.3-102.1 128.5 35.1 17.8 41.4 69 893 A L - 0 0 3 10,-3.4 3,-0.1 -2,-0.5 43,-0.1 -0.642 36.2 -97.9 -79.0 144.9 34.5 19.8 38.2 70 894 A R - 0 0 46 -2,-0.3 -1,-0.1 1,-0.1 45,-0.0 -0.467 51.3-107.7 -57.4 127.4 35.5 18.1 34.9 71 895 A P - 0 0 97 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.208 34.9-122.9 -63.9 157.3 38.9 19.6 34.1 72 896 A L 0 0 79 3,-0.6 6,-0.1 1,-0.2 7,-0.1 -0.841 360.0 360.0-111.7 136.5 39.2 22.1 31.3 73 897 A P 0 0 169 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.919 360.0 360.0 -59.4 360.0 41.3 22.1 28.0 74 ! 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 75 901 A S > 0 0 74 0, 0.0 3,-1.4 0, 0.0 -3,-0.6 0.000 360.0 360.0 360.0-178.7 44.2 24.4 33.7 76 902 A K T 3 + 0 0 80 1,-0.3 3,-0.2 2,-0.1 -27,-0.0 0.733 360.0 37.7 -65.9 -23.3 45.4 22.1 36.4 77 903 A H T > S+ 0 0 28 1,-0.1 3,-1.6 2,-0.1 -1,-0.3 0.114 75.3 110.5-120.9 20.8 42.9 23.3 39.0 78 904 A S T < S+ 0 0 16 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.392 73.5 69.4 -70.7 3.2 39.8 23.9 36.8 79 905 A D T 3 S+ 0 0 27 -3,-0.2 -10,-3.4 -4,-0.1 2,-0.4 0.569 80.5 101.4 -95.6 -11.5 38.4 21.0 38.7 80 906 A Y E < +B 68 0B 0 -3,-1.6 2,-0.3 -12,-0.2 -12,-0.1 -0.603 33.6 152.5 -87.2 130.5 38.1 22.9 42.0 81 907 A I E - 0 0 7 -14,-0.6 2,-1.8 -2,-0.4 -14,-0.3 -0.972 51.7-109.9-144.4 143.5 35.0 24.4 43.6 82 908 A N E S+ 0 0 0 -29,-0.5 17,-1.4 -2,-0.3 2,-0.3 -0.540 78.6 108.8 -75.5 88.8 34.4 24.9 47.3 83 909 A A E - C 0 98B 0 -2,-1.8 -16,-1.4 15,-0.2 2,-0.4 -0.981 46.7-159.7-161.0 151.9 31.7 22.3 47.7 84 910 A N E -BC 66 97B 0 13,-1.9 13,-2.4 -2,-0.3 -18,-0.2 -1.000 24.3-118.4-141.7 138.0 31.3 18.8 49.3 85 911 A Y E - C 0 96B 39 -20,-2.9 2,-0.3 -2,-0.4 11,-0.2 -0.544 36.3-168.8 -63.9 141.6 29.0 15.9 48.9 86 912 A V E - C 0 95B 0 9,-2.4 9,-2.2 -2,-0.2 8,-0.4 -0.994 19.5-112.1-136.5 144.3 27.1 15.3 52.2 87 913 A D - 0 0 26 -2,-0.3 5,-0.2 6,-0.3 2,-0.2 -0.395 24.7-161.9 -76.8 149.0 25.0 12.4 53.1 88 914 A G - 0 0 4 3,-2.5 2,-0.5 1,-0.1 5,-0.1 -0.393 56.5 -40.7-106.9-166.2 21.2 12.4 53.6 89 915 A Y S S- 0 0 44 -2,-0.2 2,-2.1 1,-0.1 -1,-0.1 -0.470 120.1 -37.1 -65.3 115.7 19.0 9.9 55.4 90 916 A N S S+ 0 0 134 -2,-0.5 -1,-0.1 1,-0.1 -2,-0.1 -0.533 119.1 100.5 61.0 -75.6 20.5 6.6 54.4 91 917 A K S > S- 0 0 104 -2,-2.1 -3,-2.5 -4,-0.1 3,-0.7 -0.010 73.2-128.4 -49.4 123.9 21.3 7.8 50.8 92 918 A A T 3 S+ 0 0 62 1,-0.2 -5,-0.1 -5,-0.2 -1,-0.1 -0.345 84.8 9.7 -69.6 149.2 25.0 8.8 50.3 93 919 A K T 3 S+ 0 0 106 1,-0.1 -6,-0.3 -5,-0.1 -1,-0.2 0.847 74.7 153.8 52.5 41.3 25.8 12.1 48.7 94 920 A A < + 0 0 4 -3,-0.7 127,-2.1 -8,-0.4 2,-0.3 0.685 62.3 35.6 -73.0 -17.8 22.2 13.3 48.9 95 921 A Y E -Cd 86 221B 3 -9,-2.2 -9,-2.4 125,-0.3 2,-0.5 -0.959 61.5-146.1-133.4 149.7 23.4 17.0 49.0 96 922 A I E -Cd 85 222B 0 125,-2.5 127,-3.2 -2,-0.3 2,-0.6 -0.984 23.9-163.8-105.3 113.6 26.0 19.2 47.7 97 923 A A E +Cd 84 223B 0 -13,-2.4 -13,-1.9 -2,-0.5 2,-0.3 -0.870 23.6 158.4 -94.5 120.9 26.7 21.7 50.4 98 924 A T E -Cd 83 224B 2 125,-2.4 127,-0.6 -2,-0.6 -15,-0.2 -0.936 40.0 -95.6-143.0 164.9 28.6 24.7 49.0 99 925 A Q - 0 0 3 -17,-1.4 128,-0.2 -2,-0.3 127,-0.2 -0.252 55.0 -83.0 -70.5 161.6 29.4 28.4 49.7 100 926 A G - 0 0 0 126,-3.0 -1,-0.1 34,-0.2 -45,-0.1 -0.582 62.4-106.0 -61.1 126.2 27.4 31.3 48.2 101 927 A P - 0 0 2 0, 0.0 35,-1.4 0, 0.0 2,-0.2 -0.249 28.0-142.0 -63.0 139.1 29.0 31.7 44.7 102 928 A L > - 0 0 31 -49,-0.2 3,-2.2 33,-0.1 4,-0.4 -0.586 29.8-106.1 -90.6 162.4 31.3 34.6 44.0 103 929 A K G > S+ 0 0 147 1,-0.3 3,-1.4 -2,-0.2 4,-0.3 0.918 122.4 56.9 -51.9 -46.0 31.3 36.4 40.6 104 930 A S G 3 S+ 0 0 73 1,-0.3 -1,-0.3 -52,-0.1 4,-0.1 0.433 112.2 41.7 -71.4 2.3 34.5 34.7 39.7 105 931 A T G <> S+ 0 0 5 -3,-2.2 4,-3.0 2,-0.1 -1,-0.3 0.272 75.9 104.8-130.4 11.1 32.9 31.3 40.3 106 932 A F H <> S+ 0 0 19 -3,-1.4 4,-2.0 -4,-0.4 5,-0.2 0.822 85.9 51.6 -59.8 -31.5 29.5 31.6 38.7 107 933 A E H > S+ 0 0 114 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.952 111.3 43.9 -71.3 -50.1 30.8 29.5 35.8 108 934 A D H > S+ 0 0 22 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.938 112.8 55.8 -54.6 -46.8 32.1 26.7 38.0 109 935 A F H X S+ 0 0 1 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.893 113.0 37.7 -56.6 -48.0 28.9 26.9 40.0 110 936 A W H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.797 114.0 56.1 -79.0 -26.6 26.6 26.4 37.1 111 937 A R H X S+ 0 0 39 -4,-2.3 4,-3.6 2,-0.2 5,-0.2 0.922 107.7 49.6 -67.1 -42.1 28.9 23.9 35.5 112 938 A M H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 6,-0.3 0.935 109.4 51.8 -60.0 -47.2 28.8 21.8 38.7 113 939 A I H <>S+ 0 0 0 -4,-1.8 5,-2.0 -5,-0.2 4,-0.5 0.907 115.7 40.6 -58.0 -43.2 25.0 22.0 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-100,-3.4 -2,-0.3 2,-0.4 -0.720 28.8-176.5 -82.7 126.5 22.5 21.9 46.1 223 1058 A V E +df 97 122B 0 -127,-3.2 -125,-2.4 -2,-0.5 2,-0.3 -0.993 10.7 157.5-125.9 125.6 22.3 23.7 49.4 224 1059 A H E +df 98 123B 0 -102,-2.6 -100,-3.1 -2,-0.4 -125,-0.2 -0.999 18.3 165.6-146.0 150.1 24.1 26.9 50.1 225 1060 A C - 0 0 7 -127,-0.6 -100,-0.2 -2,-0.3 -91,-0.0 0.005 67.5 -61.9-120.9-116.7 24.1 29.9 52.4 226 1061 A S S S+ 0 0 12 -102,-0.2 -126,-3.0 -127,-0.2 -171,-0.1 0.863 133.3 14.2-100.2 -67.4 27.1 32.2 52.6 227 1062 A A S S- 0 0 14 -128,-0.2 -128,-0.1 -172,-0.1 -171,-0.1 0.737 101.2-128.9 -74.7 -24.8 30.0 30.2 53.9 228 1063 A G S S+ 0 0 0 -129,-0.1 -129,-0.1 -104,-0.1 -5,-0.1 0.666 86.1 78.0 83.8 17.3 28.0 27.1 53.1 229 1064 A V S > S+ 0 0 0 3,-0.1 39,-2.1 38,-0.1 4,-1.8 0.709 84.0 44.5-119.7 -48.1 28.4 25.4 56.5 230 1065 A G H > S+ 0 0 1 37,-0.2 4,-1.9 38,-0.2 38,-0.4 0.998 125.3 21.4 -70.1 -70.3 26.1 26.9 59.2 231 1066 A R H > S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.840 124.3 59.4 -67.4 -32.6 22.6 27.4 57.9 232 1067 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 106.8 44.8 -62.3 -44.4 23.5 24.8 55.2 233 1068 A G H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.883 109.9 56.0 -67.2 -36.9 24.2 22.1 57.9 234 1069 A T H X S+ 0 0 10 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.920 108.7 47.8 -59.1 -45.9 21.1 23.1 59.8 235 1070 A Y H X S+ 0 0 9 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.939 111.0 49.9 -59.8 -50.6 19.0 22.5 56.7 236 1071 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.921 112.9 46.2 -60.2 -44.6 20.6 19.1 56.0 237 1072 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.897 114.4 46.8 -66.0 -40.3 20.1 17.8 59.5 238 1073 A I H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.946 116.1 45.9 -67.7 -44.3 16.5 19.0 59.7 239 1074 A D H X S+ 0 0 5 -4,-3.0 4,-1.4 -5,-0.2 -2,-0.2 0.965 115.8 44.5 -59.7 -54.3 15.7 17.5 56.4 240 1075 A S H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 3,-0.4 0.920 112.7 50.8 -59.6 -45.6 17.5 14.2 57.0 241 1076 A M H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.3 -1,-0.2 0.832 106.0 55.0 -66.4 -32.3 16.0 13.7 60.5 242 1077 A L H X S+ 0 0 30 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.3 0.837 108.0 51.2 -64.9 -32.4 12.5 14.4 59.2 243 1078 A Q H X S+ 0 0 72 -4,-1.4 4,-2.5 -3,-0.4 -2,-0.2 0.925 110.1 48.8 -67.0 -45.5 13.2 11.5 56.8 244 1079 A Q H X>S+ 0 0 22 -4,-2.2 4,-3.2 2,-0.2 5,-0.8 0.871 109.9 51.6 -61.6 -39.7 14.3 9.3 59.6 245 1080 A I H X5S+ 0 0 29 -4,-2.2 4,-1.5 4,-0.2 -1,-0.2 0.944 111.5 46.4 -65.8 -45.6 11.2 10.2 61.6 246 1081 A K H <5S+ 0 0 86 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.916 120.6 41.2 -59.9 -41.8 8.9 9.3 58.7 247 1082 A D H <5S- 0 0 101 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.974 139.4 -0.5 -72.0 -57.8 10.8 6.1 58.1 248 1083 A K H <5S- 0 0 123 -4,-3.2 -3,-0.2 2,-0.2 -2,-0.2 0.404 86.0-120.6-119.6 -2.6 11.5 4.7 61.6 249 1084 A S S < + 0 0 39 -2,-0.3 4,-2.2 -249,-0.2 5,-0.3 -0.385 17.6 153.5-151.3 69.0 19.6 10.9 65.9 253 1088 A V H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.960 75.3 47.2 -64.7 -51.8 20.7 14.5 65.7 254 1089 A L H > S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.864 116.3 44.2 -62.0 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86.6-103.9-154.2 132.6 32.3 19.4 55.3 265 1100 A N T 3 S- 0 0 5 -205,-0.4 -3,-0.1 -2,-0.3 4,-0.1 -0.170 93.9 -2.6 -57.0 138.0 33.9 21.6 58.0 266 1101 A Y T 3 S+ 0 0 108 -5,-0.2 -1,-0.2 1,-0.2 -33,-0.1 0.576 73.0 178.2 67.6 17.1 31.7 23.2 60.6 267 1102 A L S < S+ 0 0 0 -3,-1.3 -37,-0.2 -7,-0.1 -1,-0.2 -0.347 76.1 22.6 -57.0 131.2 28.3 22.0 59.3 268 1103 A V S S- 0 0 0 -39,-2.1 -38,-0.2 -38,-0.4 -37,-0.1 0.936 87.4-163.7 61.7 93.7 25.9 23.5 61.8 269 1104 A Q + 0 0 81 -4,-0.1 2,-0.3 2,-0.0 -39,-0.1 0.701 53.0 36.2 -91.6 -25.0 28.2 26.2 63.0 270 1105 A T S > S- 0 0 48 1,-0.1 4,-2.1 -40,-0.1 3,-0.2 -0.898 73.3-117.6-130.9 160.3 26.7 27.5 66.3 271 1106 A E H > S+ 0 0 43 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.853 115.4 58.7 -57.4 -37.4 24.9 26.2 69.4 272 1107 A E H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 107.2 45.0 -63.0 -41.6 22.0 28.4 68.4 273 1108 A Q H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 112.2 53.3 -66.9 -39.0 21.6 26.6 65.1 274 1109 A Y H X S+ 0 0 1 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.926 110.7 45.9 -62.3 -44.2 22.0 23.3 66.9 275 1110 A I H X S+ 0 0 22 -4,-3.0 4,-1.9 1,-0.2 3,-0.2 0.902 108.3 58.5 -63.6 -37.8 19.2 24.3 69.3 276 1111 A F H X S+ 0 0 21 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.888 98.1 58.4 -60.8 -41.7 17.1 25.4 66.3 277 1112 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.915 107.6 48.3 -51.2 -45.6 17.3 22.0 64.7 278 1113 A H H X S+ 0 0 3 -4,-1.2 4,-2.6 -3,-0.2 -1,-0.2 0.898 109.8 50.8 -65.0 -41.0 15.7 20.6 67.8 279 1114 A D H X S+ 0 0 39 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.914 110.3 50.8 -62.7 -42.1 13.0 23.3 67.8 280 1115 A A H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.940 113.6 43.7 -59.4 -46.3 12.2 22.5 64.1 281 1116 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.856 109.4 56.1 -73.1 -35.9 11.9 18.8 64.8 282 1117 A L H X S+ 0 0 43 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.882 107.9 50.6 -57.3 -39.5 9.8 19.4 68.0 283 1118 A E H X S+ 0 0 66 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.903 110.2 48.6 -66.0 -40.8 7.4 21.4 65.8 284 1119 A A H < S+ 0 0 16 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.896 114.4 46.2 -66.1 -39.1 7.2 18.6 63.3 285 1120 A I H < S+ 0 0 45 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.929 118.4 39.1 -72.8 -45.9 6.6 16.0 66.0 286 1121 A L H < 0 0 113 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.872 360.0 360.0 -70.9 -36.8 3.9 18.0 67.9 287 1122 A G < 0 0 92 -4,-2.5 -3,-0.0 -5,-0.3 -4,-0.0 0.031 360.0 360.0 -64.7 360.0 2.3 19.3 64.8