==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 27-OCT-05 2C5J . COMPND 2 MOLECULE: T-SNARE AFFECTING A LATE GOLGI COMPARTMENT . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.FRIDMANN-SIRKIS,H.M.KENT,M.J.LEWIS,P.R.EVANS,H.R.B.PELHAM . 171 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 89.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 87.7 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+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 0 0 0 1 0 0 1 0 0 0 0 2 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 6 A D > 0 0 112 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 114.2 28.6 26.9 19.4 2 7 A P H > + 0 0 104 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.868 360.0 54.6 -47.5 -50.5 27.0 28.7 16.4 3 8 A F H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 108.8 48.2 -54.7 -50.8 30.0 31.1 16.0 4 9 A Q H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.821 110.2 51.8 -60.9 -39.2 32.5 28.2 15.7 5 10 A Q H X S+ 0 0 95 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.879 110.0 48.5 -63.2 -43.1 30.4 26.4 13.2 6 11 A V H X S+ 0 0 59 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.947 112.6 48.2 -63.1 -45.5 30.1 29.5 10.9 7 12 A V H X S+ 0 0 7 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.941 114.6 47.6 -57.2 -49.4 33.9 30.0 11.2 8 13 A K H X S+ 0 0 105 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.961 113.1 45.0 -55.2 -61.3 34.5 26.3 10.4 9 14 A D H X S+ 0 0 64 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.834 114.7 49.6 -56.0 -36.2 32.2 26.1 7.4 10 15 A T H X S+ 0 0 5 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.962 110.1 49.8 -68.8 -51.6 33.5 29.4 5.9 11 16 A K H X S+ 0 0 104 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.947 114.8 46.7 -39.3 -61.3 37.1 28.2 6.3 12 17 A E H X S+ 0 0 67 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.835 110.2 51.4 -49.2 -46.7 35.9 25.0 4.5 13 18 A Q H X S+ 0 0 61 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.879 109.0 51.2 -64.3 -40.2 34.1 26.9 1.8 14 19 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.922 106.4 53.6 -64.8 -40.4 37.2 29.0 1.1 15 20 A N H X S+ 0 0 77 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.829 108.6 52.3 -62.3 -35.8 39.4 25.9 0.8 16 21 A R H X S+ 0 0 147 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.921 108.8 46.7 -64.4 -49.0 37.0 24.6 -1.8 17 22 A I H X S+ 0 0 12 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.942 113.9 51.4 -59.8 -43.1 37.0 27.7 -3.9 18 23 A N H X S+ 0 0 53 -4,-2.6 4,-2.2 1,-0.2 3,-0.2 0.941 110.1 46.5 -57.5 -55.0 40.9 27.7 -3.6 19 24 A N H X S+ 0 0 83 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.837 110.7 55.4 -51.7 -38.4 41.1 24.0 -4.8 20 25 A Y H X S+ 0 0 82 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.845 108.3 47.0 -65.0 -40.7 38.7 24.9 -7.6 21 26 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 -3,-0.2 -2,-0.2 0.863 111.0 53.2 -65.6 -37.7 41.0 27.7 -8.8 22 27 A T H X S+ 0 0 54 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.968 111.4 43.8 -63.3 -52.2 44.0 25.3 -8.5 23 28 A R H X S+ 0 0 141 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.852 118.8 44.6 -60.9 -36.1 42.3 22.7 -10.7 24 29 A H H < S+ 0 0 78 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.789 110.5 54.2 -84.1 -22.5 41.2 25.4 -13.1 25 30 A N H < S+ 0 0 80 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.870 111.6 45.5 -67.5 -41.5 44.6 27.1 -13.0 26 31 A T H < 0 0 119 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.851 360.0 360.0 -69.1 -35.6 46.2 23.8 -14.0 27 32 A A < 0 0 105 -4,-1.6 -3,-0.0 -5,-0.2 -4,-0.0 -0.287 360.0 360.0 -58.9 360.0 43.5 23.3 -16.7 28 ! 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 29 38 A E > 0 0 137 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -61.3 34.0 33.3 -13.1 30 39 A E H > + 0 0 123 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.866 360.0 54.4 -61.3 -33.2 30.8 35.2 -12.5 31 40 A E H > S+ 0 0 126 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.865 106.4 48.6 -69.0 -39.2 29.9 32.5 -10.0 32 41 A I H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.942 109.9 52.5 -66.9 -44.1 33.1 32.8 -8.0 33 42 A Q H X S+ 0 0 75 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.905 111.9 46.9 -57.6 -40.3 32.7 36.6 -7.8 34 43 A D H X S+ 0 0 68 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.922 110.6 51.0 -65.3 -49.2 29.1 36.0 -6.4 35 44 A I H X S+ 0 0 51 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.914 108.7 52.5 -55.1 -42.7 30.3 33.4 -3.9 36 45 A L H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.866 107.2 51.7 -65.8 -36.5 33.0 35.8 -2.7 37 46 A K H X S+ 0 0 114 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.905 108.1 52.0 -61.9 -41.2 30.4 38.5 -2.1 38 47 A D H X S+ 0 0 93 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.909 111.9 47.1 -58.5 -46.3 28.3 36.0 -0.1 39 48 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.921 107.4 54.2 -64.1 -43.5 31.4 35.2 2.0 40 49 A E H X S+ 0 0 66 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.916 110.7 48.8 -53.8 -46.1 32.3 38.9 2.6 41 50 A E H X S+ 0 0 125 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.929 109.0 51.8 -61.1 -47.5 28.7 39.4 3.9 42 51 A T H X S+ 0 0 42 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.891 110.6 49.2 -53.1 -43.0 29.1 36.3 6.2 43 52 A I H X S+ 0 0 6 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.911 108.2 51.3 -71.0 -41.6 32.4 37.8 7.6 44 53 A V H X S+ 0 0 58 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.879 108.6 53.7 -61.8 -31.2 30.8 41.2 8.3 45 54 A D H X S+ 0 0 80 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.880 107.3 50.4 -68.1 -37.6 28.0 39.3 10.1 46 55 A L H X S+ 0 0 9 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.902 109.3 51.7 -60.3 -44.8 30.7 37.6 12.2 47 56 A D H X S+ 0 0 55 -4,-2.5 4,-2.0 1,-0.2 3,-0.2 0.935 111.0 47.8 -59.0 -44.8 32.2 41.0 13.0 48 57 A R H X S+ 0 0 148 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.833 107.4 55.3 -64.2 -37.4 28.8 42.3 14.0 49 58 A S H X S+ 0 0 46 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.814 106.3 50.9 -68.4 -34.2 28.1 39.3 16.2 50 59 A I H X S+ 0 0 3 -4,-1.6 4,-2.1 -3,-0.2 -2,-0.2 0.944 110.0 50.5 -65.1 -49.9 31.3 39.9 18.2 51 60 A I H X S+ 0 0 115 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.912 110.2 49.3 -51.2 -47.6 30.3 43.6 18.7 52 61 A V H X S+ 0 0 56 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.858 109.6 54.6 -59.3 -33.3 26.9 42.4 20.0 53 62 A M H X S+ 0 0 26 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.882 106.4 48.1 -71.2 -41.5 28.7 40.0 22.3 54 63 A K H X S+ 0 0 95 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.910 114.2 49.4 -61.2 -45.0 30.9 42.8 23.9 55 64 A R H X S+ 0 0 133 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.968 111.7 46.2 -59.2 -54.9 27.7 44.9 24.4 56 65 A D H X S+ 0 0 65 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.831 113.0 50.8 -58.2 -36.1 25.7 42.0 26.0 57 66 A E H X S+ 0 0 26 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.854 106.9 52.5 -73.7 -37.7 28.6 41.1 28.2 58 67 A N H X S+ 0 0 100 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.889 111.4 49.5 -59.8 -36.7 29.1 44.7 29.4 59 68 A E H X S+ 0 0 113 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.859 109.3 49.8 -69.9 -38.6 25.4 44.6 30.2 60 69 A D H X S+ 0 0 90 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.907 114.3 46.5 -62.8 -45.3 25.7 41.3 32.1 61 70 A V H X S+ 0 0 11 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.965 112.1 48.6 -61.1 -58.0 28.6 42.8 34.1 62 71 A S H X S+ 0 0 71 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.905 112.1 51.5 -43.8 -50.0 26.8 46.1 34.8 63 72 A G H X S+ 0 0 35 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.885 110.6 46.8 -59.0 -44.9 23.8 43.9 35.9 64 73 A R H X S+ 0 0 39 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.904 110.1 52.5 -65.0 -43.6 26.0 41.8 38.3 65 74 A E H X S+ 0 0 80 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.898 108.0 53.2 -56.0 -45.4 27.7 44.9 39.8 66 75 A A H X S+ 0 0 62 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.855 107.9 50.5 -57.8 -39.6 24.1 46.3 40.4 67 76 A Q H X S+ 0 0 59 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.898 111.2 47.5 -63.5 -44.3 23.2 43.1 42.3 68 77 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.931 111.1 51.0 -66.7 -40.5 26.3 43.3 44.5 69 78 A K H X S+ 0 0 150 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.837 107.2 54.9 -63.6 -31.0 25.7 47.0 45.2 70 79 A N H X S+ 0 0 56 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.905 107.8 48.7 -70.9 -36.1 22.1 46.1 46.2 71 80 A I H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.907 108.8 53.6 -66.7 -42.6 23.4 43.6 48.7 72 81 A K H X S+ 0 0 81 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.934 110.4 47.5 -54.0 -50.5 25.8 46.2 50.1 73 82 A Q H X S+ 0 0 126 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.889 110.7 50.8 -59.7 -42.7 22.9 48.5 50.6 74 83 A Q H X S+ 0 0 73 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.892 111.2 49.3 -62.4 -41.8 20.8 45.8 52.3 75 84 A L H X S+ 0 0 8 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.900 111.2 49.1 -56.6 -46.7 23.7 45.0 54.6 76 85 A D H X S+ 0 0 96 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.907 110.7 49.8 -66.2 -43.7 24.1 48.7 55.5 77 86 A A H X S+ 0 0 55 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.880 111.5 51.2 -57.6 -40.7 20.3 49.1 56.2 78 87 A L H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.808 108.2 49.8 -65.4 -37.0 20.6 46.0 58.4 79 88 A K H X S+ 0 0 71 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.921 111.8 48.3 -67.4 -49.2 23.5 47.3 60.4 80 89 A L H >< S+ 0 0 124 -4,-2.2 3,-0.9 2,-0.2 -2,-0.2 0.940 112.1 50.0 -52.8 -47.9 21.8 50.6 61.0 81 90 A R H 3< S+ 0 0 107 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.843 104.8 58.0 -63.2 -39.0 18.6 48.6 62.1 82 91 A F H 3< 0 0 72 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.754 360.0 360.0 -57.7 -31.8 20.7 46.5 64.4 83 92 A D << 0 0 159 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.870 360.0 360.0 -63.2 360.0 21.7 49.8 66.2 84 !* 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 85 6 B D > 0 0 110 0, 0.0 4,-0.9 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 168.3 25.8 31.2 37.7 86 7 B P H > + 0 0 97 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.737 360.0 65.9 -59.9 -31.7 27.0 30.0 41.1 87 8 B F H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.898 98.5 48.3 -47.1 -49.3 27.2 33.8 41.3 88 9 B Q H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.826 111.2 49.3 -69.5 -32.6 23.4 33.8 41.1 89 10 B Q H X S+ 0 0 105 -4,-0.9 4,-3.1 2,-0.2 -2,-0.2 0.915 110.0 51.1 -67.2 -46.8 23.1 31.2 43.7 90 11 B V H X S+ 0 0 51 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.904 111.8 47.4 -60.1 -42.3 25.4 33.1 46.1 91 12 B V H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.980 112.2 50.3 -59.4 -57.4 23.3 36.2 45.6 92 13 B K H X S+ 0 0 120 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.900 114.9 43.7 -38.8 -56.8 20.2 34.2 46.2 93 14 B D H X S+ 0 0 68 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.859 112.3 51.1 -64.8 -41.6 21.7 32.7 49.4 94 15 B T H X S+ 0 0 3 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.879 109.2 50.3 -68.2 -39.9 23.1 35.9 50.7 95 16 B K H X S+ 0 0 97 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.873 108.8 54.0 -62.0 -40.9 19.8 37.8 50.3 96 17 B E H X S+ 0 0 110 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.910 107.8 49.0 -57.5 -48.0 18.1 34.9 52.2 97 18 B Q H X S+ 0 0 40 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.893 109.8 52.4 -57.7 -44.7 20.6 35.3 55.1 98 19 B L H X S+ 0 0 6 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.917 109.8 49.4 -58.7 -43.5 19.8 39.1 55.1 99 20 B N H X S+ 0 0 93 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.921 108.2 52.5 -62.7 -42.6 16.1 38.3 55.3 100 21 B R H X S+ 0 0 197 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.895 109.7 48.3 -64.5 -40.7 16.6 35.9 58.2 101 22 B I H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.873 110.7 52.3 -63.5 -42.2 18.5 38.5 60.3 102 23 B N H X S+ 0 0 49 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.934 110.6 46.4 -53.8 -49.2 15.8 41.1 59.5 103 24 B N H X S+ 0 0 77 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.870 110.4 55.7 -63.3 -37.2 13.1 38.7 60.7 104 25 B Y H X S+ 0 0 13 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.912 105.9 49.3 -61.0 -46.8 15.3 38.0 63.8 105 26 B I H >< S+ 0 0 25 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.887 108.0 55.4 -59.9 -38.7 15.5 41.7 64.7 106 27 B T H 3< S+ 0 0 95 -4,-1.9 3,-0.3 1,-0.3 -2,-0.2 0.901 110.1 45.3 -60.7 -44.0 11.7 42.0 64.4 107 28 B R H 3< S+ 0 0 161 -4,-1.8 2,-0.3 1,-0.2 -1,-0.3 0.549 118.4 47.6 -71.6 -13.7 11.3 39.1 66.9 108 29 B H << + 0 0 42 -4,-0.7 -1,-0.2 -3,-0.6 4,-0.1 -0.690 47.7 163.2-136.8 84.9 13.9 40.6 69.2 109 30 B N S S+ 0 0 156 -2,-0.3 2,-0.3 -3,-0.3 -1,-0.1 0.725 86.9 34.4 -69.2 -16.6 13.6 44.3 70.0 110 31 B T S S- 0 0 101 -3,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.836 117.9 -61.6-127.3 168.4 16.0 43.3 72.9 111 32 B A - 0 0 78 -2,-0.3 3,-0.1 1,-0.0 -2,-0.1 -0.158 43.3-149.3 -58.3 135.9 18.8 40.7 72.9 112 33 B G - 0 0 13 1,-0.3 -1,-0.0 -4,-0.1 -4,-0.0 -0.028 55.2 -48.8 -73.3-163.2 17.9 37.0 72.3 113 34 B D > - 0 0 108 1,-0.1 4,-2.6 -2,-0.1 -1,-0.3 -0.276 58.5-104.6 -72.2 163.3 20.1 34.5 74.0 114 35 B D H > S+ 0 0 143 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.905 121.1 48.4 -53.6 -50.5 23.9 34.7 73.8 115 36 B D H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 113.0 49.0 -57.5 -43.3 24.2 31.8 71.3 116 37 B Q H > S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.909 111.9 47.7 -62.2 -46.9 21.5 33.4 69.1 117 38 B E H X S+ 0 0 40 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.820 113.3 48.7 -64.8 -35.0 23.0 36.8 69.1 118 39 B E H X S+ 0 0 125 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.860 106.4 54.7 -76.6 -40.8 26.5 35.4 68.3 119 40 B E H X S+ 0 0 124 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.902 108.4 51.8 -54.4 -42.7 25.2 33.3 65.4 120 41 B I H X S+ 0 0 14 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.904 107.0 51.1 -61.3 -46.1 23.7 36.5 63.9 121 42 B Q H X S+ 0 0 89 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.828 109.3 51.9 -60.3 -35.4 27.0 38.3 64.2 122 43 B D H X S+ 0 0 94 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.881 107.3 51.5 -67.7 -43.9 28.7 35.4 62.4 123 44 B I H X S+ 0 0 47 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.915 108.3 51.8 -59.6 -43.8 26.1 35.6 59.6 124 45 B L H X S+ 0 0 14 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.911 110.9 49.0 -57.5 -43.0 26.8 39.4 59.3 125 46 B K H X S+ 0 0 125 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.945 110.8 49.6 -58.8 -54.3 30.5 38.4 59.0 126 47 B D H X S+ 0 0 82 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.934 111.1 49.1 -45.5 -58.5 29.8 35.8 56.3 127 48 B V H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.914 110.4 52.1 -50.1 -44.6 27.7 38.3 54.3 128 49 B E H X S+ 0 0 83 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.901 111.3 44.3 -67.7 -41.4 30.5 40.8 54.5 129 50 B E H X S+ 0 0 91 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.864 109.0 58.7 -65.7 -39.9 33.2 38.5 53.2 130 51 B T H X S+ 0 0 19 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.891 100.8 56.2 -57.9 -41.3 30.8 37.3 50.5 131 52 B I H X S+ 0 0 11 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.928 106.7 48.8 -54.1 -53.7 30.5 40.9 49.1 132 53 B V H X S+ 0 0 71 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.894 115.5 45.4 -51.7 -45.8 34.3 41.1 48.7 133 54 B D H X S+ 0 0 96 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.835 110.2 52.4 -68.6 -37.6 34.3 37.7 46.9 134 55 B L H X S+ 0 0 7 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.952 111.8 47.2 -65.9 -43.6 31.3 38.6 44.7 135 56 B D H X S+ 0 0 56 -4,-2.5 4,-1.2 1,-0.2 3,-0.4 0.889 111.0 52.1 -58.0 -47.2 33.1 41.8 43.7 136 57 B R H X S+ 0 0 176 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.844 106.1 54.3 -58.7 -39.4 36.3 39.9 43.0 137 58 B S H X S+ 0 0 44 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.770 100.3 58.7 -69.9 -30.1 34.5 37.4 40.8 138 59 B I H X S+ 0 0 2 -4,-1.2 4,-2.3 -3,-0.4 -1,-0.2 0.887 104.6 53.0 -65.8 -37.6 33.1 40.1 38.5 139 60 B I H X S+ 0 0 102 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.922 109.6 47.1 -58.7 -47.8 36.7 41.1 37.8 140 61 B V H X S+ 0 0 67 -4,-1.5 4,-3.2 1,-0.2 -2,-0.2 0.904 111.3 52.9 -61.6 -44.4 37.6 37.5 36.8 141 62 B M H X S+ 0 0 23 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.902 108.7 47.6 -60.0 -47.1 34.4 37.3 34.6 142 63 B K H X S+ 0 0 66 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.931 114.5 48.8 -58.3 -47.6 35.3 40.5 32.7 143 64 B R H X S+ 0 0 134 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.948 113.1 46.0 -53.8 -54.1 38.8 39.2 32.2 144 65 B D H X S+ 0 0 63 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.862 113.7 47.8 -60.0 -41.7 37.6 35.8 31.0 145 66 B E H X S+ 0 0 42 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.839 107.9 55.6 -74.3 -32.2 35.0 37.2 28.6 146 67 B N H X S+ 0 0 101 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.849 107.7 49.9 -62.7 -38.8 37.6 39.7 27.2 147 68 B E H X S+ 0 0 107 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.893 108.3 52.8 -64.2 -45.3 39.8 36.7 26.4 148 69 B D H X S+ 0 0 99 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.932 111.2 47.0 -56.0 -47.6 36.9 35.0 24.7 149 70 B V H X S+ 0 0 5 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.926 109.9 51.3 -60.1 -52.1 36.2 38.0 22.5 150 71 B S H X S+ 0 0 72 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.898 110.3 51.8 -49.1 -44.9 39.9 38.5 21.6 151 72 B G H X S+ 0 0 37 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.941 110.4 46.8 -58.7 -52.6 39.9 34.8 20.6 152 73 B R H X S+ 0 0 49 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.900 110.9 51.9 -56.4 -45.5 36.9 35.3 18.4 153 74 B E H X S+ 0 0 85 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.895 108.2 51.5 -60.3 -40.3 38.3 38.4 16.8 154 75 B A H X S+ 0 0 62 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.883 109.0 52.3 -62.7 -37.6 41.6 36.5 15.9 155 76 B Q H X S+ 0 0 59 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.853 110.9 45.7 -66.4 -38.0 39.4 33.8 14.3 156 77 B V H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.848 109.4 54.4 -72.2 -40.3 37.6 36.2 12.1 157 78 B K H X S+ 0 0 133 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.883 106.8 53.4 -62.3 -36.2 40.8 38.0 11.1 158 79 B N H X S+ 0 0 75 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.913 110.6 45.4 -63.2 -44.5 42.2 34.6 10.0 159 80 B I H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.886 111.8 52.4 -64.9 -41.9 39.2 34.0 7.8 160 81 B K H X S+ 0 0 72 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.896 110.0 47.7 -61.3 -41.6 39.3 37.4 6.4 161 82 B Q H X S+ 0 0 101 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.883 111.2 52.0 -64.5 -40.2 43.0 37.0 5.5 162 83 B Q H X S+ 0 0 46 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.907 112.4 45.6 -64.6 -40.1 42.2 33.7 3.9 163 84 B L H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.905 110.0 53.3 -65.8 -46.3 39.4 35.4 1.8 164 85 B D H X S+ 0 0 84 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.785 109.4 48.6 -62.6 -30.8 41.6 38.4 0.8 165 86 B A H X S+ 0 0 61 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.882 111.7 49.8 -77.0 -42.7 44.4 36.1 -0.5 166 87 B L H X S+ 0 0 6 -4,-1.7 4,-3.4 2,-0.2 5,-0.2 0.878 107.2 54.5 -55.3 -44.3 41.8 34.0 -2.5 167 88 B K H X S+ 0 0 69 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.954 111.2 45.7 -59.9 -46.2 40.3 37.2 -4.0 168 89 B L H X S+ 0 0 77 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.917 112.3 50.0 -62.3 -45.6 43.8 38.1 -5.2 169 90 B R H < S+ 0 0 71 -4,-2.7 3,-0.4 2,-0.2 -2,-0.2 0.940 111.4 49.1 -54.1 -51.5 44.4 34.6 -6.5 170 91 B F H >< S+ 0 0 24 -4,-3.4 3,-1.7 1,-0.2 -2,-0.2 0.907 107.4 55.9 -52.7 -43.1 41.1 34.8 -8.3 171 92 B D H 3< S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 105.2 53.6 -57.2 -34.1 42.2 38.2 -9.7 172 93 B R T 3< 0 0 192 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.265 360.0 360.0 -91.1 14.2 45.3 36.6 -11.1 173 94 B R < 0 0 111 -3,-1.7 -3,-0.1 -5,-0.1 -148,-0.0 -0.368 360.0 360.0 -59.7 360.0 43.3 33.9 -13.0