==== 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 3QCD . COMPND 2 MOLECULE: RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE GAMMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SHERIFF . 283 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 70.0 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 . 43 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 4 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 . 20 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 29.0 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 1 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 1 1 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 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 0 139 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 51.9 24.3 6.7 70.2 2 826 A E - 0 0 82 1,-0.2 251,-0.1 251,-0.0 2,-0.1 -0.285 360.0 -70.4 -87.2 177.7 21.6 4.7 68.5 3 827 A A - 0 0 42 247,-0.1 247,-0.2 -2,-0.1 -1,-0.2 -0.386 47.6-128.3 -68.4 147.2 18.5 6.0 66.7 4 828 A I E -A 249 0A 37 245,-3.3 245,-2.4 -3,-0.1 5,-0.1 -0.853 22.4-112.6-100.6 129.8 15.8 7.6 68.8 5 829 A P E >> -A 248 0A 50 0, 0.0 3,-2.7 0, 0.0 4,-0.5 -0.386 24.2-130.3 -57.5 130.9 12.1 6.4 68.4 6 830 A V H >> S+ 0 0 31 241,-2.8 3,-1.1 1,-0.3 4,-0.6 0.821 107.3 62.2 -56.6 -31.4 10.2 9.3 67.0 7 831 A K H 34 S+ 0 0 201 240,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.597 110.2 40.6 -71.2 -10.6 7.5 8.8 69.7 8 832 A Q H <> S+ 0 0 112 -3,-2.7 4,-1.7 2,-0.1 -1,-0.3 0.395 93.0 89.6-111.2 -2.1 10.2 9.6 72.3 9 833 A F H S+ 0 0 176 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 108.6 53.8 -58.3 -42.7 10.5 14.4 75.2 12 836 A H H X S+ 0 0 49 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.909 105.5 52.7 -58.5 -44.6 14.2 14.1 74.3 13 837 A I H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.888 104.8 55.2 -61.5 -39.1 14.2 17.7 73.0 14 838 A G H X S+ 0 0 41 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.930 109.0 47.8 -59.4 -43.1 12.7 18.8 76.3 15 839 A E H < S+ 0 0 135 -4,-1.9 8,-0.4 1,-0.2 -2,-0.2 0.911 110.9 50.3 -65.0 -40.2 15.6 17.2 78.1 16 840 A L H < S+ 0 0 9 -4,-2.3 8,-1.6 1,-0.2 7,-0.5 0.842 111.3 49.9 -65.2 -34.3 18.2 18.7 75.8 17 841 A Y H X S+ 0 0 72 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.772 92.0 100.9 -71.5 -29.8 16.6 22.2 76.3 18 842 A S H X>S+ 0 0 49 -4,-1.4 4,-1.5 -3,-0.2 5,-0.6 -0.100 75.3 25.0 -66.2 158.2 16.6 22.0 80.1 19 843 A N H >45S- 0 0 135 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.944 142.0 -45.5 56.7 55.6 19.2 23.7 82.4 20 844 A N H 345S- 0 0 144 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.858 108.2 -59.3 55.5 40.0 20.1 26.4 79.9 21 845 A Q H 3X5S+ 0 0 73 -4,-2.0 4,-2.4 3,-0.1 -1,-0.2 0.826 84.1 158.8 63.1 36.0 20.4 23.9 77.1 22 846 A H H S+ 0 0 0 -8,-1.6 4,-2.8 2,-0.2 5,-0.2 0.897 110.3 52.5 -62.7 -42.7 22.3 20.6 73.4 25 849 A S H X S+ 0 0 25 -4,-2.4 4,-2.4 -9,-0.3 -2,-0.2 0.903 110.2 48.6 -60.6 -43.0 25.7 22.1 74.4 26 850 A E H X S+ 0 0 94 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.930 112.5 47.9 -62.5 -47.3 27.1 18.7 75.2 27 851 A D H X S+ 0 0 27 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.947 114.7 44.7 -58.9 -49.1 25.8 17.2 71.9 28 852 A F H X S+ 0 0 8 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.895 111.1 52.1 -69.7 -37.6 27.2 20.1 69.8 29 853 A E H X S+ 0 0 78 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.863 108.3 53.1 -63.7 -34.3 30.5 20.2 71.6 30 854 A E H X S+ 0 0 62 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.881 108.8 50.3 -65.0 -38.5 30.8 16.4 70.9 31 855 A V H >< S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.2 4,-0.3 0.941 109.7 49.2 -62.4 -47.3 30.1 17.2 67.2 32 856 A Q H 3< S+ 0 0 99 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.791 114.9 45.3 -67.2 -25.6 32.8 19.9 67.1 33 857 A R H >< S+ 0 0 146 -4,-1.6 3,-2.9 -5,-0.2 4,-0.3 0.697 87.5 88.6 -85.0 -20.2 35.3 17.5 68.8 34 858 A C T << S+ 0 0 32 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.1 0.601 87.9 51.4 -65.5 -10.2 34.5 14.5 66.6 35 859 A T T > S+ 0 0 53 -3,-0.4 3,-3.5 -4,-0.3 -1,-0.3 0.621 82.6 100.8 -87.9 -18.7 37.1 15.6 64.0 36 860 A A T < S+ 0 0 73 -3,-2.9 -2,-0.1 1,-0.3 -1,-0.1 0.801 86.5 36.9 -38.7 -57.6 39.8 15.9 66.7 37 861 A D T 3 S+ 0 0 169 -4,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.141 106.1 91.4 -88.2 21.1 41.5 12.6 66.0 38 862 A M < - 0 0 96 -3,-3.5 2,-0.6 2,-0.0 -1,-0.0 -0.968 54.9-165.7-122.6 120.2 41.0 12.9 62.3 39 863 A N - 0 0 150 -2,-0.5 2,-0.5 2,-0.0 -3,-0.0 -0.906 14.9-174.5 -92.9 121.5 43.3 14.6 59.8 40 864 A I - 0 0 35 -2,-0.6 2,-0.1 2,-0.0 -2,-0.0 -0.976 19.4-131.8-120.9 120.3 41.3 15.1 56.6 41 865 A T + 0 0 75 -2,-0.5 22,-2.9 1,-0.1 23,-0.4 -0.362 28.6 173.5 -78.1 148.4 43.3 16.5 53.6 42 866 A A > + 0 0 9 20,-0.3 4,-1.4 21,-0.1 19,-0.1 -0.367 21.8 148.8-141.2 56.4 42.2 19.4 51.5 43 867 A E H > S+ 0 0 141 1,-0.2 4,-0.8 2,-0.2 3,-0.2 0.901 71.3 52.0 -61.2 -43.3 45.3 19.8 49.3 44 868 A H H >4 S+ 0 0 66 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.890 107.1 51.8 -65.8 -39.6 43.4 21.1 46.2 45 869 A S H 34 S+ 0 0 0 16,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.842 112.9 47.1 -61.8 -32.6 41.6 23.8 48.2 46 870 A N H 3< S+ 0 0 80 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.530 83.3 115.8 -90.8 -6.7 44.9 25.0 49.6 47 871 A H S XX S- 0 0 69 -4,-0.8 3,-1.8 -3,-0.7 4,-0.8 -0.383 72.6-125.5 -65.7 140.6 46.8 25.0 46.3 48 872 A P G >4 S+ 0 0 87 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.832 108.8 58.8 -55.3 -35.3 47.9 28.5 45.2 49 873 A E G 34 S+ 0 0 116 1,-0.2 3,-0.1 2,-0.1 28,-0.1 0.703 110.6 42.4 -68.5 -18.9 46.2 28.2 41.8 50 874 A N G X4 S+ 0 0 0 -3,-1.8 3,-1.9 -6,-0.2 4,-0.3 0.491 83.7 97.4-106.4 -7.0 42.8 27.6 43.5 51 875 A K G X< S+ 0 0 109 -4,-0.8 3,-1.8 -3,-0.6 -2,-0.1 0.871 81.9 53.3 -52.1 -44.9 43.0 30.2 46.2 52 876 A H G 3 S+ 0 0 113 -4,-0.4 -1,-0.3 1,-0.3 52,-0.1 0.623 100.4 64.5 -70.5 -11.0 40.9 32.8 44.3 53 877 A K G < S+ 0 0 20 -3,-1.9 2,-0.5 -8,-0.1 29,-0.5 0.450 86.6 84.4 -91.2 -2.8 38.2 30.2 43.8 54 878 A N < - 0 0 19 -3,-1.8 3,-0.1 -4,-0.3 6,-0.1 -0.895 63.5-157.5-101.5 126.9 37.5 30.0 47.6 55 879 A R S S+ 0 0 39 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.906 86.3 29.8 -67.1 -41.0 35.1 32.5 49.0 56 880 A Y S > S- 0 0 66 3,-0.4 3,-1.1 169,-0.1 -1,-0.2 -0.978 71.6-143.5-124.9 133.2 36.5 32.1 52.5 57 881 A I T 3 S+ 0 0 154 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.785 103.6 46.7 -63.6 -28.2 40.1 31.1 53.3 58 882 A N T 3 S+ 0 0 99 1,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.540 95.4 82.3 -92.1 -8.8 39.1 29.0 56.2 59 883 A I < + 0 0 3 -3,-1.1 -3,-0.4 -14,-0.1 2,-0.1 -0.836 65.2 171.8-104.4 103.0 36.3 27.2 54.4 60 884 A L - 0 0 31 -2,-0.8 2,-0.6 -6,-0.1 203,-0.4 -0.439 35.8-120.9-109.2 172.5 37.7 24.3 52.4 61 885 A A - 0 0 0 -19,-0.1 -16,-0.5 -2,-0.1 -17,-0.1 -0.966 33.2-125.1-115.0 114.8 36.6 21.3 50.4 62 886 A Y >> - 0 0 28 -2,-0.6 4,-0.8 199,-0.3 3,-0.5 -0.320 18.1-129.7 -56.7 137.3 38.0 18.0 51.7 63 887 A D G >4 S+ 0 0 26 -22,-2.9 3,-0.7 1,-0.2 -21,-0.1 0.885 100.5 55.2 -56.3 -44.7 39.8 16.1 49.0 64 888 A H G 34 S+ 0 0 119 -23,-0.4 -1,-0.2 1,-0.2 197,-0.1 0.807 119.4 29.6 -67.2 -30.3 38.1 12.8 49.4 65 889 A S G <4 S+ 0 0 10 -3,-0.5 20,-3.1 196,-0.1 -1,-0.2 0.358 89.5 126.9-109.1 2.0 34.6 14.1 48.9 66 890 A R E << -B 84 0B 12 -4,-0.8 2,-0.5 -3,-0.7 18,-0.3 -0.278 63.5-115.6 -68.9 146.8 35.2 17.1 46.7 67 891 A V E - 0 0 0 16,-1.9 14,-0.5 14,-0.3 2,-0.5 -0.692 30.8-145.3 -80.9 127.9 33.3 17.4 43.4 68 892 A K E -B 80 0B 130 -2,-0.5 2,-0.3 12,-0.1 12,-0.2 -0.812 1.0-145.5 -98.4 131.9 35.6 17.2 40.4 69 893 A L - 0 0 3 10,-2.5 3,-0.1 -2,-0.5 43,-0.1 -0.715 35.8-101.0 -82.4 143.3 35.0 19.2 37.3 70 894 A R - 0 0 49 -2,-0.3 -1,-0.1 1,-0.1 45,-0.0 -0.461 51.9-100.2 -58.5 134.0 36.0 17.5 34.1 71 895 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.240 34.0-122.5 -62.1 148.2 39.4 18.9 33.2 72 896 A L 0 0 77 3,-0.4 6,-0.1 1,-0.1 7,-0.1 -0.766 360.0 360.0 -97.3 140.3 39.6 21.6 30.5 73 897 A P 0 0 175 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.823 360.0 360.0 -54.6 360.0 41.7 21.1 27.3 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 93 0, 0.0 3,-1.1 0, 0.0 -3,-0.4 0.000 360.0 360.0 360.0 160.0 44.7 24.2 33.3 76 902 A K T 3 + 0 0 89 1,-0.3 3,-0.1 2,-0.1 -27,-0.0 0.646 360.0 39.9 -73.4 -14.3 46.1 21.6 35.7 77 903 A H T > S+ 0 0 38 1,-0.1 3,-1.5 2,-0.1 -1,-0.3 0.110 77.1 109.9-122.1 19.9 43.6 22.9 38.4 78 904 A S T < + 0 0 11 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.473 69.6 71.5 -72.7 -0.3 40.6 23.5 36.2 79 905 A D T 3 S+ 0 0 30 -3,-0.1 -10,-2.5 -11,-0.1 2,-0.4 0.503 79.0 104.6 -90.7 -4.3 39.0 20.5 38.0 80 906 A Y E < +B 68 0B 0 -3,-1.5 2,-0.3 -12,-0.2 -12,-0.1 -0.657 31.6 153.4 -93.9 130.7 38.6 22.4 41.3 81 907 A I E - 0 0 7 -14,-0.5 2,-2.0 -2,-0.4 -14,-0.3 -0.983 50.8-113.2-141.5 142.6 35.4 23.9 42.8 82 908 A N E S+ 0 0 1 -29,-0.5 17,-1.4 -2,-0.3 2,-0.3 -0.544 78.1 112.6 -76.1 86.9 34.8 24.5 46.5 83 909 A A E - C 0 98B 0 -2,-2.0 -16,-1.9 15,-0.2 2,-0.4 -0.983 46.5-159.8-158.0 145.6 32.1 21.8 46.8 84 910 A N E -BC 66 97B 0 13,-2.4 13,-2.9 -2,-0.3 2,-0.3 -0.988 23.2-120.0-133.2 141.4 31.6 18.4 48.4 85 911 A Y E - C 0 96B 33 -20,-3.1 2,-0.4 -2,-0.4 11,-0.2 -0.609 34.9-166.9 -66.4 137.7 29.4 15.4 48.0 86 912 A V E - C 0 95B 0 9,-2.5 9,-2.5 -2,-0.3 8,-0.5 -0.998 18.0-117.7-131.4 138.1 27.4 14.9 51.2 87 913 A D E - 0 0 29 -2,-0.4 5,-0.2 6,-0.2 2,-0.2 -0.293 24.1-161.6 -68.6 152.5 25.4 11.8 52.0 88 914 A G E > - C 0 91B 6 3,-3.2 3,-1.0 1,-0.1 2,-0.7 -0.417 51.1 -46.9-110.1-162.5 21.6 11.9 52.6 89 915 A Y T 3 S- 0 0 41 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.590 123.3 -21.9 -71.8 114.3 19.5 9.3 54.4 90 916 A N T 3 S+ 0 0 135 -2,-0.7 2,-0.3 1,-0.1 -1,-0.3 0.799 122.7 97.1 59.1 30.0 20.4 5.9 53.1 91 917 A K E X -C 88 0B 114 -3,-1.0 -3,-3.2 0, 0.0 3,-0.8 -0.889 66.8-138.9-153.0 117.7 21.9 7.5 49.9 92 918 A A E 3 S+ 0 0 71 -2,-0.3 -5,-0.1 1,-0.2 -6,-0.1 -0.456 88.1 10.5 -73.2 148.5 25.5 8.4 49.2 93 919 A K E 3 S+ 0 0 111 -2,-0.1 -1,-0.2 1,-0.1 -6,-0.2 0.851 76.5 150.3 53.4 39.8 26.2 11.7 47.4 94 920 A A E < + 0 0 2 -3,-0.8 125,-2.0 -8,-0.5 2,-0.3 0.779 65.1 29.1 -70.4 -26.7 22.6 12.8 47.9 95 921 A Y E -Cd 86 219B 5 -9,-2.5 -9,-2.5 123,-0.3 2,-0.5 -0.919 62.1-144.1-129.0 155.1 23.8 16.5 48.0 96 922 A I E -Cd 85 220B 0 123,-2.3 125,-3.0 -2,-0.3 2,-0.6 -0.994 23.2-161.6-109.2 120.0 26.5 18.7 46.7 97 923 A A E +Cd 84 221B 0 -13,-2.9 -13,-2.4 -2,-0.5 2,-0.3 -0.892 24.5 157.7 -99.9 122.1 27.2 21.3 49.4 98 924 A T E -Cd 83 222B 1 123,-2.2 125,-0.6 -2,-0.6 -15,-0.2 -0.933 40.1 -98.7-144.2 161.6 29.1 24.3 48.0 99 925 A Q - 0 0 3 -17,-1.4 126,-0.2 -2,-0.3 125,-0.2 -0.254 55.0 -82.8 -70.1 164.8 29.8 27.9 48.7 100 926 A G - 0 0 0 124,-2.2 -1,-0.1 34,-0.3 -45,-0.1 -0.625 62.2-104.7 -67.4 127.0 27.9 30.8 47.1 101 927 A P - 0 0 2 0, 0.0 35,-1.2 0, 0.0 2,-0.2 -0.197 28.2-138.9 -59.0 139.6 29.6 31.2 43.7 102 928 A L >> - 0 0 29 -49,-0.2 3,-1.4 33,-0.1 4,-0.7 -0.556 28.9-108.1 -86.1 161.7 32.0 34.0 43.0 103 929 A K G >4 S+ 0 0 158 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.907 123.9 56.2 -55.1 -39.3 31.9 35.9 39.7 104 930 A S G 34 S+ 0 0 67 1,-0.2 -1,-0.3 -52,-0.1 4,-0.2 0.635 112.6 41.2 -69.4 -12.8 35.2 34.2 39.0 105 931 A T G <> S+ 0 0 5 -3,-1.4 4,-3.1 2,-0.1 -1,-0.2 0.338 79.4 104.4-117.3 6.3 33.6 30.8 39.5 106 932 A F H S+ 0 0 121 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.942 112.6 47.8 -66.7 -45.1 31.3 29.2 34.9 108 934 A D H > S+ 0 0 25 1,-0.2 4,-2.5 -4,-0.2 -2,-0.2 0.916 110.5 54.4 -57.4 -44.3 32.7 26.4 37.1 109 935 A F H X S+ 0 0 2 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.930 112.5 39.8 -58.5 -50.0 29.4 26.5 39.1 110 936 A W H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.812 112.3 56.9 -73.8 -27.8 27.2 25.9 36.1 111 937 A R H X S+ 0 0 39 -4,-2.2 4,-3.2 -5,-0.2 5,-0.2 0.913 106.7 50.2 -66.7 -41.0 29.5 23.4 34.5 112 938 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 6,-0.3 0.941 108.7 52.3 -59.1 -46.9 29.3 21.4 37.7 113 939 A I H <>S+ 0 0 0 -4,-1.9 5,-1.8 2,-0.2 4,-0.5 0.894 114.1 42.8 -59.3 -39.6 25.5 21.6 37.5 114 940 A W H ><5S+ 0 0 25 -4,-2.0 3,-1.2 3,-0.2 -2,-0.2 0.971 116.5 45.8 -69.5 -53.2 25.6 20.3 34.0 115 941 A E H 3<5S+ 0 0 68 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.817 116.5 45.5 -60.6 -32.8 28.2 17.6 34.5 116 942 A Q T 3<5S- 0 0 35 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.498 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51.6 225 1062 A A S S- 0 0 10 -126,-0.2 -169,-0.1 -170,-0.1 -126,-0.1 0.727 100.8-130.0 -83.6 -24.6 30.3 29.6 53.0 226 1063 A G S S+ 0 0 0 -127,-0.1 -127,-0.1 -102,-0.1 -5,-0.1 0.774 84.0 78.5 82.4 27.4 28.2 26.5 52.2 227 1064 A V S > S+ 0 0 0 3,-0.1 39,-2.3 37,-0.1 4,-1.6 0.651 83.1 43.6-129.0 -46.0 28.5 24.9 55.7 228 1065 A G H > S+ 0 0 0 37,-0.2 4,-2.0 38,-0.2 38,-0.2 0.999 125.7 21.7 -76.1 -69.4 26.2 26.4 58.4 229 1066 A R H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.877 125.9 56.9 -64.2 -35.7 22.7 26.9 56.9 230 1067 A T H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.944 108.3 44.8 -61.8 -47.4 23.6 24.4 54.2 231 1068 A G H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.871 110.1 55.5 -64.7 -36.7 24.4 21.7 56.8 232 1069 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.920 108.5 48.1 -63.6 -42.9 21.3 22.5 58.8 233 1070 A Y H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.938 110.6 51.5 -59.1 -48.8 19.1 22.0 55.7 234 1071 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.911 110.8 47.0 -61.2 -42.4 20.8 18.7 54.9 235 1072 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.922 113.1 48.3 -66.3 -44.2 20.2 17.3 58.4 236 1073 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.957 114.8 45.3 -60.1 -48.3 16.6 18.4 58.5 237 1074 A D H X S+ 0 0 4 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.945 115.0 47.9 -59.6 -48.7 15.9 16.9 55.1 238 1075 A S H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.868 112.2 47.9 -63.2 -37.8 17.7 13.7 55.8 239 1076 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.812 106.2 57.3 -78.0 -28.7 16.0 13.1 59.2 240 1077 A L H X S+ 0 0 25 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.909 108.3 49.4 -59.8 -41.4 12.6 13.8 57.7 241 1078 A Q H X S+ 0 0 82 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.926 110.4 48.7 -64.7 -44.3 13.4 10.9 55.4 242 1079 A Q H X>S+ 0 0 21 -4,-2.0 4,-3.4 1,-0.2 5,-0.9 0.896 110.2 51.7 -64.6 -40.1 14.5 8.6 58.2 243 1080 A I H X5S+ 0 0 31 -4,-2.5 4,-1.0 4,-0.2 -1,-0.2 0.908 110.7 49.3 -60.4 -40.4 11.4 9.5 60.1 244 1081 A K H <5S+ 0 0 80 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.881 120.4 36.1 -65.6 -37.4 9.3 8.6 57.0 245 1082 A D H <5S+ 0 0 98 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.880 139.3 5.7 -86.1 -40.8 11.2 5.3 56.6 246 1083 A K H <5S- 0 0 120 -4,-3.4 -3,-0.2 2,-0.3 -2,-0.1 0.475 84.8-123.8-127.4 -8.3 11.8 4.0 60.1 247 1084 A S S < + 0 0 38 -2,-0.4 4,-2.3 -247,-0.2 5,-0.3 -0.398 16.9 152.3-142.2 65.5 19.5 10.2 64.6 251 1088 A V H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.933 75.7 48.7 -59.3 -49.2 20.6 13.8 64.4 252 1089 A L H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 115.8 42.4 -62.7 -46.8 23.8 13.5 66.4 253 1090 A G H > S+ 0 0 11 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.899 115.7 48.0 -67.7 -41.8 25.1 10.4 64.6 254 1091 A F H X S+ 0 0 22 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.903 112.3 49.9 -68.4 -38.5 24.2 11.6 61.1 255 1092 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.918 107.6 52.5 -66.0 -42.3 25.8 15.0 61.7 256 1093 A K H < S+ 0 0 49 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.887 110.7 51.4 -61.1 -34.6 29.0 13.5 63.0 257 1094 A H H >< S+ 0 0 81 -4,-1.6 3,-1.7 1,-0.2 4,-0.2 0.951 109.7 44.5 -67.9 -50.8 29.1 11.5 59.8 258 1095 A I H >X S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 4,-1.5 0.748 97.7 75.5 -70.6 -18.0 28.6 14.3 57.3 259 1096 A R T 3< S+ 0 0 22 -4,-1.8 -1,-0.3 1,-0.3 5,-0.2 0.724 91.1 57.3 -63.0 -19.7 31.1 16.4 59.2 260 1097 A T T <4 S+ 0 0 34 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.615 105.0 52.4 -80.8 -11.3 33.7 14.1 57.6 261 1098 A Q T <4 S+ 0 0 22 -3,-1.9 2,-0.3 1,-0.3 -199,-0.3 0.747 124.3 7.7-100.9 -26.3 32.5 15.1 54.2 262 1099 A R S >< S- 0 0 0 -4,-1.5 3,-1.2 -201,-0.1 -1,-0.3 -0.932 86.0-104.1-153.2 136.4 32.6 18.9 54.4 263 1100 A N T 3 S+ 0 0 6 -203,-0.4 -3,-0.1 -2,-0.3 -4,-0.0 -0.228 93.1 0.7 -62.0 139.1 34.1 21.0 57.2 264 1101 A Y T 3 S+ 0 0 111 1,-0.2 -1,-0.2 -5,-0.2 -33,-0.1 0.592 71.6 176.8 71.9 16.1 31.8 22.7 59.7 265 1102 A L S < S+ 0 0 0 -3,-1.2 -37,-0.2 -7,-0.1 -1,-0.2 -0.369 74.9 21.4 -57.0 128.3 28.4 21.5 58.4 266 1103 A V S S- 0 0 0 -39,-2.3 -38,-0.2 -38,-0.2 -37,-0.1 0.925 83.4-161.9 64.9 93.9 26.0 23.0 61.0 267 1104 A Q + 0 0 44 2,-0.0 2,-0.3 1,-0.0 -39,-0.1 0.770 56.7 37.9 -84.3 -28.9 28.1 25.8 62.4 268 1105 A T S > S- 0 0 25 -75,-0.1 4,-2.1 1,-0.1 3,-0.2 -0.883 71.3-122.1-129.8 157.4 26.5 26.8 65.6 269 1106 A E H > S+ 0 0 52 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.842 115.0 59.3 -60.6 -33.6 24.7 25.2 68.6 270 1107 A E H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 106.1 46.1 -64.4 -39.6 21.8 27.4 67.8 271 1108 A Q H > S+ 0 0 0 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.889 109.5 55.7 -69.2 -36.9 21.5 25.9 64.3 272 1109 A Y H X S+ 0 0 1 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.924 110.1 45.4 -58.7 -44.9 21.9 22.5 66.0 273 1110 A I H X S+ 0 0 21 -4,-2.6 4,-2.1 1,-0.2 3,-0.2 0.895 107.3 58.7 -65.0 -39.1 18.9 23.3 68.2 274 1111 A F H X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.856 98.8 58.8 -62.2 -34.9 17.0 24.6 65.2 275 1112 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.940 107.1 47.7 -55.5 -45.9 17.3 21.2 63.5 276 1113 A H H X S+ 0 0 2 -4,-1.2 4,-2.6 -3,-0.2 -2,-0.2 0.901 108.5 53.9 -66.3 -39.3 15.5 19.7 66.4 277 1114 A D H X S+ 0 0 43 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.885 107.6 50.7 -61.6 -38.8 12.8 22.4 66.4 278 1115 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.913 112.2 45.9 -66.9 -41.9 12.0 21.7 62.7 279 1116 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.899 110.3 54.8 -68.0 -38.4 11.7 18.0 63.3 280 1117 A L H X S+ 0 0 34 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.936 106.6 51.1 -57.4 -46.9 9.6 18.7 66.4 281 1118 A E H X S+ 0 0 70 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.884 112.1 47.2 -58.0 -39.7 7.2 20.7 64.2 282 1119 A A H < S+ 0 0 17 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.915 113.4 47.5 -68.1 -43.1 7.0 17.8 61.7 283 1120 A I H < S+ 0 0 47 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.919 118.0 39.6 -66.9 -44.1 6.4 15.2 64.5 284 1121 A L H < 0 0 114 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.807 360.0 360.0 -75.7 -29.5 3.7 17.2 66.3 285 1122 A G < 0 0 94 -4,-1.8 -3,-0.1 -5,-0.3 -4,-0.0 0.045 360.0 360.0 -67.2 360.0 2.1 18.5 63.0