==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-SEP-01 1K05 . COMPND 2 MOLECULE: FOCAL ADHESION KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.T.AROLD,M.K.HOELLERER,M.E.M.NOBLE . 419 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 86.2 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 . 13 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 296 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 3 0 0 0 0 6 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 1 916 A N 0 0 186 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -15.5 18.4 41.0 18.6 2 917 A L - 0 0 18 276,-0.1 2,-0.2 2,-0.0 275,-0.2 -0.895 360.0-115.6-103.9 130.3 19.6 42.3 22.0 3 918 A D - 0 0 61 273,-1.1 3,-0.2 -2,-0.5 273,-0.0 -0.471 30.7-176.2 -65.3 127.8 22.5 44.7 22.0 4 919 A R > + 0 0 67 -2,-0.2 3,-2.1 1,-0.1 7,-0.2 0.562 52.4 104.1-101.1 -13.1 25.4 43.0 23.9 5 920 A S T 3 S+ 0 0 79 1,-0.3 -1,-0.1 6,-0.0 -2,-0.0 0.731 100.7 21.2 -43.3 -29.1 28.0 45.7 24.0 6 921 A N T 3 S+ 0 0 106 -3,-0.2 2,-0.6 5,-0.0 -1,-0.3 -0.274 91.4 116.2-139.0 49.9 27.2 46.3 27.7 7 922 A D <> + 0 0 4 -3,-2.1 4,-2.6 1,-0.2 5,-0.1 -0.916 34.4 178.8-118.3 96.8 25.6 43.1 28.8 8 923 A K H > S+ 0 0 105 -2,-0.6 4,-4.0 2,-0.2 5,-0.4 0.954 78.8 62.6 -66.7 -46.6 27.8 41.6 31.5 9 924 A V H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.923 111.6 40.5 -39.8 -56.9 25.5 38.7 32.1 10 925 A Y H > S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.968 114.3 51.5 -55.0 -59.9 26.2 37.7 28.5 11 926 A E H X S+ 0 0 97 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.848 114.4 44.6 -46.8 -40.8 29.8 38.6 28.6 12 927 A N H X S+ 0 0 21 -4,-4.0 4,-2.7 2,-0.2 -1,-0.2 0.859 109.5 52.8 -76.6 -36.9 30.2 36.4 31.8 13 928 A V H X S+ 0 0 3 -4,-2.7 4,-2.3 -5,-0.4 -2,-0.2 0.889 109.5 52.9 -66.2 -33.2 28.2 33.5 30.5 14 929 A T H X S+ 0 0 45 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.894 108.9 48.0 -65.7 -42.0 30.5 33.6 27.5 15 930 A G H X S+ 0 0 32 -4,-1.5 4,-3.4 -5,-0.2 5,-0.2 0.974 111.6 49.6 -62.7 -52.5 33.6 33.5 29.7 16 931 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.903 112.1 48.4 -52.1 -47.0 32.3 30.6 31.7 17 932 A V H X S+ 0 0 27 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.901 113.1 47.6 -62.5 -42.2 31.4 28.7 28.6 18 933 A K H X S+ 0 0 143 -4,-2.3 4,-3.3 2,-0.2 5,-0.4 0.954 107.6 55.3 -63.8 -49.0 34.9 29.4 27.1 19 934 A A H X S+ 0 0 24 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.931 112.0 45.0 -47.6 -51.4 36.6 28.4 30.3 20 935 A V H X S+ 0 0 4 -4,-2.3 4,-3.8 -5,-0.2 3,-0.3 0.974 113.0 49.8 -55.3 -61.1 34.8 25.0 30.1 21 936 A I H X S+ 0 0 96 -4,-2.7 4,-1.1 1,-0.3 -2,-0.2 0.866 112.1 46.1 -47.6 -48.5 35.5 24.6 26.4 22 937 A E H X S+ 0 0 95 -4,-3.3 4,-1.0 2,-0.2 -1,-0.3 0.869 115.4 48.1 -68.7 -31.7 39.2 25.3 26.7 23 938 A M H >X S+ 0 0 2 -4,-2.0 3,-1.3 -5,-0.4 4,-1.3 0.987 111.5 48.8 -70.3 -54.8 39.4 23.0 29.7 24 939 A S H 3< S+ 0 0 42 -4,-3.8 4,-0.3 1,-0.3 -1,-0.2 0.680 112.0 50.3 -60.1 -14.0 37.5 20.2 28.1 25 940 A S H 3< S+ 0 0 81 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.674 115.7 39.7 -95.5 -18.0 39.7 20.4 25.0 26 941 A K H << S+ 0 0 109 -3,-1.3 4,-0.3 -4,-1.0 -2,-0.2 0.447 94.7 93.1-105.2 -1.9 43.1 20.3 26.8 27 942 A I S >< S+ 0 0 1 -4,-1.3 3,-1.3 1,-0.2 -2,-0.1 0.901 74.8 51.7 -63.0 -51.8 42.0 17.7 29.3 28 943 A Q T 3 S+ 0 0 61 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.930 112.1 43.3 -56.4 -53.4 42.9 14.3 27.9 29 944 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.484 103.9 102.5 -73.1 4.7 46.6 14.9 27.2 30 945 A A < - 0 0 4 -3,-1.3 -3,-0.0 -4,-0.3 -4,-0.0 -0.616 61.2-139.0-104.6 152.6 47.0 16.7 30.5 31 946 A P >> - 0 0 48 0, 0.0 4,-2.1 0, 0.0 3,-1.9 -0.443 37.0-104.0 -89.7 164.0 48.4 16.1 34.1 32 947 A P H 3> S+ 0 0 24 0, 0.0 4,-2.5 0, 0.0 58,-0.1 0.898 120.4 64.1 -57.6 -40.4 46.7 17.2 37.4 33 948 A E H 34 S+ 0 0 165 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.386 113.8 37.1 -65.0 4.4 49.2 20.1 37.7 34 949 A E H <> S+ 0 0 103 -3,-1.9 4,-0.7 -7,-0.1 -1,-0.2 0.583 116.4 45.7-125.5 -35.2 47.5 21.3 34.5 35 950 A Y H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.776 104.2 60.6 -87.7 -21.3 43.8 20.5 34.9 36 951 A V H X S+ 0 0 21 -4,-2.5 4,-3.1 -5,-0.2 5,-0.3 0.987 105.9 46.3 -67.5 -54.2 43.3 21.7 38.4 37 952 A P H > S+ 0 0 54 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.871 111.4 55.6 -55.5 -29.9 44.2 25.2 37.6 38 953 A M H X S+ 0 0 29 -4,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.948 108.6 45.9 -65.1 -46.9 42.0 24.9 34.6 39 954 A V H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.922 107.4 57.5 -61.7 -42.8 39.1 23.9 36.8 40 955 A K H X S+ 0 0 143 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.914 103.4 56.3 -52.8 -40.4 39.9 26.7 39.2 41 956 A E H X S+ 0 0 115 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.967 104.7 49.8 -55.4 -55.5 39.4 28.9 36.1 42 957 A V H X S+ 0 0 0 -4,-1.8 4,-3.6 1,-0.2 5,-0.2 0.946 110.8 51.3 -47.6 -56.1 35.9 27.6 35.5 43 958 A G H X S+ 0 0 5 -4,-2.5 4,-4.2 1,-0.2 5,-0.2 0.938 109.6 47.2 -45.2 -62.3 35.1 28.3 39.2 44 959 A L H X S+ 0 0 81 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.899 114.8 48.7 -47.4 -45.4 36.3 31.9 39.1 45 960 A A H X S+ 0 0 21 -4,-2.7 4,-2.3 -5,-0.2 -29,-0.2 0.952 113.2 46.3 -63.1 -49.5 34.4 32.4 35.9 46 961 A L H X S+ 0 0 0 -4,-3.6 4,-2.7 -5,-0.2 -2,-0.2 0.947 112.4 51.3 -58.5 -47.9 31.2 30.8 37.4 47 962 A R H X S+ 0 0 150 -4,-4.2 4,-2.3 -5,-0.2 -2,-0.2 0.964 109.5 49.3 -52.4 -55.9 31.6 32.9 40.5 48 963 A T H X S+ 0 0 64 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.876 110.9 51.0 -51.5 -43.4 32.0 36.1 38.6 49 964 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.963 108.1 51.6 -59.7 -54.7 28.8 35.3 36.5 50 965 A L H X S+ 0 0 17 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.901 108.3 50.6 -50.6 -48.4 26.8 34.6 39.6 51 966 A A H X S+ 0 0 46 -4,-2.3 4,-1.8 1,-0.2 5,-0.3 0.971 110.3 50.7 -54.3 -55.0 27.7 37.9 41.2 52 967 A T H X S+ 0 0 19 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.914 110.1 49.8 -48.1 -50.1 26.7 39.7 38.0 53 968 A V H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-1.0 0.940 103.9 60.0 -56.3 -48.3 23.4 37.9 38.0 54 969 A D H 3< S+ 0 0 85 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.904 107.4 44.6 -45.2 -51.7 22.8 38.8 41.6 55 970 A E H 3< S+ 0 0 143 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.729 111.5 55.4 -69.1 -21.5 22.9 42.5 40.8 56 971 A T H X< S+ 0 0 21 -4,-1.3 3,-2.4 -3,-1.0 -1,-0.2 0.871 92.3 68.8 -80.2 -35.7 20.8 42.0 37.7 57 972 A I G >< S+ 0 0 18 -4,-2.3 3,-2.9 1,-0.3 -2,-0.2 0.913 89.1 64.0 -47.0 -51.8 17.9 40.4 39.5 58 973 A P G 3 S+ 0 0 86 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.547 104.8 48.9 -52.5 -8.0 16.9 43.6 41.4 59 974 A L G < S+ 0 0 42 -3,-2.4 -2,-0.2 2,-0.1 -3,-0.1 0.135 98.9 82.3-118.3 16.6 16.1 45.1 37.9 60 975 A L S < S- 0 0 10 -3,-2.9 5,-0.1 1,-0.1 67,-0.1 -0.936 93.9 -75.8-125.8 149.9 14.0 42.3 36.5 61 976 A P > - 0 0 16 0, 0.0 4,-1.4 0, 0.0 -2,-0.1 -0.034 39.2-126.6 -40.0 128.9 10.2 41.4 37.0 62 977 A A H > S+ 0 0 79 1,-0.2 4,-0.6 2,-0.2 -3,-0.0 0.808 105.5 66.8 -51.9 -31.1 9.6 39.9 40.4 63 978 A S H >4 S+ 0 0 72 1,-0.2 3,-1.1 2,-0.1 4,-0.4 0.981 100.2 43.6 -51.3 -75.7 8.0 37.0 38.6 64 979 A T H >> S+ 0 0 24 1,-0.2 3,-1.5 2,-0.1 4,-1.2 0.822 91.8 89.2 -37.3 -51.1 11.1 35.6 36.8 65 980 A H H 3X S+ 0 0 39 -4,-1.4 4,-2.8 1,-0.3 -1,-0.2 0.671 82.1 54.3 -17.5 -64.3 13.2 35.9 40.0 66 981 A R H S+ 0 0 111 -3,-1.5 4,-3.5 -4,-0.4 5,-0.3 0.960 111.8 52.4 -58.8 -54.1 13.5 30.6 38.2 68 983 A I H X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.3 -1,-0.2 0.906 111.0 49.8 -48.1 -44.7 16.6 32.6 37.7 69 984 A E H X S+ 0 0 73 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.3 0.931 111.2 47.3 -61.3 -46.5 17.5 31.8 41.3 70 985 A M H X S+ 0 0 110 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.973 111.1 51.8 -57.8 -53.2 16.8 28.1 40.7 71 986 A A H X S+ 0 0 17 -4,-3.5 4,-1.8 1,-0.3 -1,-0.2 0.864 108.7 51.6 -49.7 -42.2 18.9 28.2 37.5 72 987 A Q H X S+ 0 0 19 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.3 0.939 106.2 54.8 -60.5 -47.7 21.7 29.8 39.5 73 988 A K H X S+ 0 0 139 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.919 104.9 53.0 -51.6 -51.2 21.5 27.0 42.1 74 989 A L H X S+ 0 0 70 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.944 103.7 56.8 -50.2 -56.1 22.0 24.4 39.4 75 990 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.876 108.2 47.2 -44.5 -48.8 25.1 26.1 38.1 76 991 A N H X S+ 0 0 91 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.981 111.2 50.7 -58.9 -55.8 26.7 25.8 41.5 77 992 A S H X S+ 0 0 81 -4,-2.4 4,-2.3 1,-0.2 3,-0.4 0.921 109.1 52.5 -45.0 -54.4 25.7 22.2 41.9 78 993 A D H X S+ 0 0 20 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.910 106.2 52.4 -49.3 -52.7 27.2 21.4 38.5 79 994 A L H X S+ 0 0 17 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.871 108.7 51.7 -54.5 -39.1 30.6 23.0 39.4 80 995 A G H X S+ 0 0 27 -4,-2.1 4,-2.9 -3,-0.4 -1,-0.2 0.964 106.5 51.3 -62.3 -52.3 30.7 20.9 42.5 81 996 A E H X S+ 0 0 97 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.890 111.8 50.9 -50.6 -40.6 30.0 17.6 40.6 82 997 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.966 108.5 49.0 -62.3 -53.8 32.9 18.8 38.4 83 998 A I H X S+ 0 0 55 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.897 109.1 54.3 -54.2 -41.9 35.2 19.4 41.3 84 999 A N H X S+ 0 0 99 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.940 110.6 44.6 -57.3 -50.9 34.4 16.0 42.8 85 1000 A K H X S+ 0 0 40 -4,-2.1 4,-2.5 1,-0.2 5,-0.4 0.936 109.6 56.4 -59.9 -47.1 35.3 14.2 39.6 86 1001 A M H X S+ 0 0 18 -4,-3.0 4,-1.4 1,-0.3 -1,-0.2 0.881 107.3 49.5 -51.7 -42.6 38.5 16.4 39.3 87 1002 A K H X S+ 0 0 122 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.3 0.945 110.8 51.6 -62.3 -46.2 39.5 15.2 42.7 88 1003 A L H >X S+ 0 0 47 -4,-2.3 4,-1.8 1,-0.2 3,-1.3 0.979 110.3 44.4 -52.6 -67.9 38.8 11.6 41.6 89 1004 A A H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.781 111.0 59.5 -49.1 -26.8 40.9 11.8 38.4 90 1005 A Q H >< S+ 0 0 79 -4,-1.4 3,-0.8 -5,-0.4 -1,-0.3 0.922 106.4 45.3 -69.5 -42.2 43.5 13.4 40.6 91 1006 A Q H << S+ 0 0 134 -4,-2.2 2,-1.6 -3,-1.3 -2,-0.2 0.972 110.6 50.2 -64.2 -57.5 43.7 10.4 42.9 92 1007 A Y T 3< S+ 0 0 84 -4,-1.8 3,-0.3 1,-0.2 -1,-0.3 -0.124 81.7 152.6 -77.2 43.9 43.9 7.7 40.3 93 1008 A V < + 0 0 39 -2,-1.6 2,-1.5 -3,-0.8 5,-0.3 0.852 65.2 14.6 -40.2-109.8 46.7 9.7 38.6 94 1009 A M S S+ 0 0 158 -3,-0.1 2,-0.2 4,-0.1 -1,-0.2 -0.591 108.4 102.7 -74.4 94.4 49.0 7.4 36.6 95 1010 A T S S- 0 0 66 -2,-1.5 4,-0.3 -3,-0.3 3,-0.1 -0.783 87.9 -88.0-151.8-163.5 46.8 4.3 36.6 96 1011 A S S S+ 0 0 117 -2,-0.2 -2,-0.1 1,-0.1 -3,-0.1 0.548 121.0 48.2 -94.7 -11.8 44.5 2.2 34.6 97 1012 A L S > S+ 0 0 82 -5,-0.2 4,-1.6 2,-0.1 3,-0.4 0.383 82.7 89.1-112.2 6.0 41.5 4.4 35.6 98 1013 A Q H >> S+ 0 0 45 -5,-0.3 4,-2.4 1,-0.2 3,-1.0 0.994 86.8 50.3 -64.9 -62.4 42.7 8.0 35.0 99 1014 A Q H 34 S+ 0 0 82 -4,-0.3 4,-0.4 1,-0.3 -1,-0.2 0.596 111.8 54.5 -53.4 -8.6 41.6 8.4 31.4 100 1015 A E H 3> S+ 0 0 82 -3,-0.4 4,-0.7 2,-0.2 -1,-0.3 0.827 105.9 46.2 -95.5 -37.5 38.3 7.1 32.6 101 1016 A Y H XX S+ 0 0 49 -4,-1.6 4,-1.4 -3,-1.0 3,-0.9 0.863 105.9 62.8 -72.1 -31.5 37.6 9.5 35.4 102 1017 A K H 3X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.3 -1,-0.2 0.867 96.4 58.2 -57.6 -37.6 38.6 12.4 33.1 103 1018 A K H 3> S+ 0 0 110 -4,-0.4 4,-1.8 -5,-0.3 -1,-0.3 0.810 103.9 52.8 -62.2 -30.2 35.7 11.5 30.8 104 1019 A Q H X S+ 0 0 123 -4,-2.0 4,-2.6 -3,-0.3 3,-1.3 0.995 107.2 51.5 -64.1 -62.7 13.7 36.6 28.7 126 1041 A A H 3X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.3 5,-0.2 0.901 109.8 53.4 -39.0 -50.8 13.4 38.6 31.9 127 1042 A R H 3X S+ 0 0 15 -4,-2.9 4,-1.8 1,-0.2 -1,-0.3 0.855 111.3 44.2 -53.2 -42.0 15.3 41.3 30.0 128 1043 A L H S+ 0 0 34 -4,-1.6 5,-1.3 -3,-1.3 4,-0.5 0.882 112.3 49.7 -73.8 -39.3 12.8 41.2 27.1 129 1044 A K H <5S+ 0 0 82 -4,-2.6 -2,-0.2 1,-0.2 23,-0.2 0.820 114.5 48.3 -67.9 -28.0 9.7 41.1 29.2 130 1045 A M H <5S+ 0 0 40 -4,-2.2 -2,-0.2 -5,-0.4 -1,-0.2 0.847 108.3 50.6 -78.4 -39.3 11.1 44.1 31.1 131 1046 A L H <5S- 0 0 2 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.508 118.4-115.2 -77.5 -5.6 12.0 46.1 28.0 132 1047 A G T <5 - 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0 0 28 0, 0.0 3,-1.3 0, 0.0 4,-0.8 -0.417 35.4-143.7 -60.2 126.1 -5.3 108.3 46.0 350 977 C A H >> S+ 0 0 74 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.886 96.9 71.0 -60.1 -36.8 -4.3 106.1 48.9 351 978 C S H 34 S+ 0 0 86 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.797 104.5 40.8 -47.9 -33.1 -7.3 103.9 48.2 352 979 C T H <> S+ 0 0 13 -3,-1.3 4,-1.5 1,-0.2 -1,-0.3 0.622 86.5 93.5 -91.9 -18.0 -5.5 102.8 45.1 353 980 C H H X S+ 0 0 151 -4,-0.6 3,-1.9 -3,-0.3 4,-1.9 0.988 101.3 40.8 -56.6 -72.7 -2.8 98.9 47.3 355 982 C E H 3> S+ 0 0 122 1,-0.3 4,-3.4 -4,-0.3 5,-0.3 0.827 111.1 57.9 -43.9 -46.1 -3.0 97.6 43.7 356 983 C I H 3< S+ 0 0 0 -4,-1.5 4,-0.5 1,-0.2 -1,-0.3 0.773 109.6 45.0 -61.8 -26.0 0.0 99.6 42.6 357 984 C E H S+ 0 0 15 -4,-0.5 4,-1.1 -5,-0.3 -1,-0.3 0.870 106.4 49.3 -72.1 -36.5 4.7 96.3 41.8 361 988 C K H X S+ 0 0 84 -4,-1.7 4,-2.7 -3,-0.4 3,-0.4 0.915 101.2 61.7 -70.2 -43.4 5.7 93.1 43.6 362 989 C L H X S+ 0 0 14 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.856 99.6 58.3 -51.0 -37.8 4.6 90.8 40.8 363 990 C L H X S+ 0 0 0 -4,-0.9 4,-2.9 2,-0.2 -1,-0.2 0.944 108.1 43.5 -59.0 -49.0 7.2 92.5 38.7 364 991 C N H X S+ 0 0 76 -4,-1.1 4,-3.7 -3,-0.4 -2,-0.2 0.956 110.3 57.5 -58.9 -50.0 10.0 91.5 41.1 365 992 C S H X S+ 0 0 18 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.925 109.7 44.6 -42.4 -56.2 8.5 88.1 41.4 366 993 C D H X S+ 0 0 4 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.953 112.3 51.2 -56.0 -54.0 8.9 87.7 37.6 367 994 C L H X S+ 0 0 14 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.865 106.2 55.9 -53.0 -40.8 12.4 89.1 37.7 368 995 C G H >X S+ 0 0 31 -4,-3.7 4,-1.8 1,-0.2 3,-1.0 0.981 108.7 47.1 -53.2 -57.7 13.3 86.6 40.4 369 996 C E H 3X S+ 0 0 21 -4,-2.2 4,-2.3 1,-0.3 5,-0.3 0.898 105.5 59.5 -48.7 -51.0 12.2 83.8 38.1 370 997 C L H 3X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -1,-0.3 0.831 106.6 47.7 -51.0 -37.6 14.1 85.3 35.2 371 998 C I H < S+ 0 0 53 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.978 105.3 56.8 -69.9 -59.7 24.7 79.1 33.2 379 1006 C Q H 3< S+ 0 0 135 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.684 112.1 45.1 -46.3 -22.5 25.1 75.8 35.1 380 1007 C Y T >< + 0 0 18 -4,-1.2 3,-1.6 -5,-0.2 6,-0.5 -0.197 67.2 152.5-119.2 43.6 24.7 74.0 31.8 381 1008 C V T < S+ 0 0 58 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.760 81.2 25.8 -43.3 -34.1 26.9 76.1 29.6 382 1009 C M T 3 S+ 0 0 172 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.2 -0.275 101.7 95.3-132.4 53.2 27.5 73.1 27.3 383 1010 C T S X> S- 0 0 39 -3,-1.6 4,-0.6 1,-0.1 3,-0.5 -0.795 82.8-105.8-132.1 174.0 24.6 70.7 27.5 384 1011 C S H 3> S+ 0 0 85 -2,-0.2 4,-0.5 1,-0.2 3,-0.4 0.802 117.4 65.8 -68.2 -26.7 21.4 69.9 25.7 385 1012 C L H >> S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 3,-0.8 0.783 84.5 67.9 -66.5 -32.3 19.8 71.6 28.7 386 1013 C Q H <> S+ 0 0 24 -3,-0.5 4,-2.1 -6,-0.5 -1,-0.2 0.895 96.0 54.1 -59.4 -39.5 21.1 75.1 28.1 387 1014 C Q H 3X S+ 0 0 108 -4,-0.6 4,-0.8 -3,-0.4 -1,-0.3 0.808 112.9 48.6 -63.4 -23.5 19.0 75.5 24.9 388 1015 C E H XX S+ 0 0 53 -3,-0.8 4,-1.6 -4,-0.5 3,-0.8 0.953 106.9 49.0 -80.7 -55.1 16.1 74.6 27.2 389 1016 C Y H 3X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.3 -2,-0.2 0.876 107.0 60.7 -55.4 -32.3 16.8 76.9 30.2 390 1017 C K H 3X S+ 0 0 8 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.3 0.899 102.6 51.1 -62.8 -38.8 17.1 79.7 27.7 391 1018 C K H X S+ 0 0 3 -4,-3.5 4,-1.8 1,-0.2 3,-0.7 0.964 102.0 50.8 -58.3 -51.6 1.6 97.9 36.0 408 1035 C L H 3X S+ 0 0 13 -4,-1.1 4,-1.4 1,-0.3 -1,-0.2 0.798 102.3 61.2 -57.1 -33.8 1.3 101.1 33.9 409 1036 C D H 3X S+ 0 0 51 -4,-1.2 4,-2.3 2,-0.2 -1,-0.3 0.882 106.1 45.7 -63.6 -39.6 -2.4 100.4 33.3 410 1037 C V H