==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 20-APR-10 2KWX . COMPND 2 MOLECULE: MATRIX PROTEIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.M.PIELAK,J.J.CHOU . 148 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 80.4 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 . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 71.6 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 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 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 23 A S 0 0 158 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 2.2 114.1 -19.3 -2.1 2 24 A D > + 0 0 31 2,-0.1 4,-3.4 1,-0.1 5,-0.4 -0.371 360.0 175.6-163.2 74.4 115.7 -16.5 -0.1 3 25 A P H > S+ 0 0 113 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.848 89.4 54.7 -50.5 -35.4 115.0 -12.9 -1.3 4 26 A L H > S+ 0 0 58 2,-0.2 4,-2.2 3,-0.2 5,-0.1 0.959 113.2 39.0 -64.8 -51.5 116.9 -11.8 1.8 5 27 A A H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.964 119.7 46.3 -63.2 -51.6 120.0 -13.8 1.0 6 28 A V H X S+ 0 0 59 -4,-3.4 4,-2.4 1,-0.2 5,-0.2 0.912 110.1 55.2 -56.9 -42.9 119.8 -13.1 -2.7 7 29 A A H X S+ 0 0 35 -4,-2.9 4,-2.1 -5,-0.4 -1,-0.2 0.926 105.3 52.8 -55.9 -45.5 119.2 -9.4 -1.9 8 30 A A H X S+ 0 0 24 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.921 106.7 52.6 -56.7 -46.0 122.4 -9.5 0.1 9 31 A S H X S+ 0 0 25 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.948 108.2 49.7 -56.0 -50.7 124.3 -10.9 -2.9 10 32 A I H X S+ 0 0 105 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.870 109.5 53.3 -56.6 -37.8 123.0 -8.1 -5.1 11 33 A I H X S+ 0 0 34 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.906 110.5 46.1 -65.4 -41.9 124.1 -5.6 -2.5 12 34 A G H X S+ 0 0 20 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.961 115.9 43.2 -66.1 -52.3 127.7 -6.9 -2.4 13 35 A I H X S+ 0 0 72 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.925 116.2 49.0 -59.5 -44.6 128.2 -7.1 -6.1 14 36 A L H X S+ 0 0 93 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.822 110.4 53.4 -63.9 -32.1 126.6 -3.7 -6.6 15 37 A H H X S+ 0 0 22 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.953 112.9 40.1 -68.6 -51.7 128.8 -2.3 -3.8 16 38 A L H X S+ 0 0 26 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.952 120.6 43.7 -63.0 -51.2 132.1 -3.5 -5.3 17 39 A I H X S+ 0 0 96 -4,-2.5 4,-2.5 -5,-0.2 5,-0.4 0.915 113.9 51.0 -61.6 -44.3 131.1 -2.6 -8.9 18 40 A L H X S+ 0 0 67 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.883 110.7 50.6 -61.5 -38.9 129.6 0.7 -7.9 19 41 A W H X S+ 0 0 46 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.966 114.0 41.1 -63.5 -55.7 132.8 1.6 -6.0 20 42 A I H X S+ 0 0 76 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.958 120.8 41.6 -59.5 -54.2 135.3 0.8 -8.8 21 43 A L H < S+ 0 0 92 -4,-2.5 7,-0.2 1,-0.2 -1,-0.2 0.926 110.8 57.4 -61.2 -44.7 133.2 2.3 -11.6 22 44 A D H < S+ 0 0 40 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.916 108.0 48.5 -52.0 -44.9 132.2 5.3 -9.4 23 45 A R H < S+ 0 0 52 -4,-2.2 6,-1.0 -5,-0.2 -1,-0.2 0.958 124.5 27.9 -61.2 -50.9 135.9 6.0 -9.0 24 46 A L S X S+ 0 0 71 -4,-2.3 4,-1.7 4,-0.2 5,-0.1 0.507 70.9 116.1 -81.7-131.3 136.6 5.7 -12.7 25 47 A F T >4 S- 0 0 101 2,-0.2 3,-1.4 1,-0.1 4,-0.0 0.909 105.9 -16.4 62.5 101.3 134.1 6.5 -15.5 26 48 A F T 34 S- 0 0 172 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 0.838 125.2 -63.4 41.7 38.8 135.2 9.4 -17.6 27 49 A K T >> S- 0 0 84 1,-0.1 3,-2.1 2,-0.1 4,-0.8 0.933 72.9-178.8 53.4 49.4 137.6 10.2 -14.7 28 50 A S H S+ 0 0 42 -6,-1.0 4,-2.1 1,-0.3 -1,-0.3 0.898 95.0 44.5 -47.5 -45.3 137.3 11.6 -9.8 30 52 A Y H <> S+ 0 0 113 -3,-2.1 4,-2.2 2,-0.2 -1,-0.3 0.802 110.5 55.7 -71.2 -29.0 137.7 15.0 -11.4 31 53 A R H X S+ 0 0 112 -4,-0.8 4,-2.2 -3,-0.5 5,-0.2 0.931 112.6 40.1 -69.0 -45.5 133.9 15.4 -11.6 32 54 A F H X S+ 0 0 57 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.866 115.8 52.1 -70.7 -37.1 133.4 14.7 -7.8 33 55 A F H X S+ 0 0 89 -4,-2.1 4,-1.0 -5,-0.4 -2,-0.2 0.894 115.4 39.8 -67.9 -39.9 136.4 16.8 -6.9 34 56 A E H < S+ 0 0 68 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.894 117.4 48.5 -76.4 -40.1 135.3 19.9 -8.9 35 57 A H H < S+ 0 0 121 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.931 113.0 47.0 -64.8 -45.8 131.6 19.6 -8.0 36 58 A G H < 0 0 28 -4,-2.3 32,-0.2 1,-0.3 -1,-0.2 0.798 360.0 360.0 -65.9 -27.9 132.4 19.2 -4.3 37 59 A L < 0 0 127 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.272 360.0 360.0 -85.9 360.0 134.8 22.1 -4.5 38 !* 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 39 23 B S 0 0 160 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 44.5 113.8 -16.5 11.5 40 24 B D >> + 0 0 102 1,-0.1 4,-2.2 2,-0.0 3,-0.6 -0.363 360.0 171.0-159.9 70.2 117.3 -15.2 10.8 41 25 B P H 3> S+ 0 0 108 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.827 84.2 61.4 -51.6 -32.9 118.2 -11.8 12.5 42 26 B L H 3> S+ 0 0 55 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.941 104.5 45.7 -61.5 -47.3 121.7 -12.4 11.3 43 27 B A H <> S+ 0 0 31 -3,-0.6 4,-2.1 1,-0.2 3,-0.5 0.944 113.5 49.4 -60.9 -46.2 120.7 -12.5 7.7 44 28 B V H X S+ 0 0 77 -4,-2.2 4,-2.7 1,-0.3 5,-0.3 0.859 106.1 57.9 -60.6 -33.4 118.6 -9.3 8.3 45 29 B A H X S+ 0 0 38 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.3 0.868 105.5 50.9 -63.4 -35.7 121.7 -7.9 9.9 46 30 B A H X S+ 0 0 27 -4,-1.6 4,-1.6 -3,-0.5 -2,-0.2 0.904 112.7 43.9 -68.8 -44.1 123.5 -8.5 6.6 47 31 B S H X S+ 0 0 31 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.959 117.4 43.6 -67.0 -51.3 120.8 -6.7 4.5 48 32 B I H X S+ 0 0 97 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.889 116.4 47.1 -62.7 -41.0 120.4 -3.7 6.8 49 33 B I H X S+ 0 0 30 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.818 110.6 54.8 -71.7 -28.4 124.1 -3.3 7.4 50 34 B G H X S+ 0 0 16 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.966 113.8 37.9 -68.2 -52.2 124.7 -3.6 3.7 51 35 B I H X S+ 0 0 80 -4,-2.4 4,-2.4 1,-0.2 5,-0.4 0.922 117.4 52.2 -64.3 -42.9 122.3 -0.8 2.7 52 36 B L H X S+ 0 0 101 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.875 111.5 48.0 -59.7 -39.4 123.4 1.2 5.7 53 37 B H H X S+ 0 0 21 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.958 115.9 39.7 -68.0 -54.5 127.0 0.8 4.7 54 38 B L H X S+ 0 0 21 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.955 121.3 42.8 -62.1 -51.5 126.8 1.7 1.0 55 39 B I H X S+ 0 0 92 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.914 112.9 53.5 -62.2 -43.4 124.3 4.6 1.5 56 40 B L H X S+ 0 0 81 -4,-1.8 4,-2.3 -5,-0.4 -1,-0.2 0.885 110.3 49.8 -59.5 -38.5 126.1 5.9 4.6 57 41 B W H X S+ 0 0 47 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.989 114.2 39.6 -63.9 -63.2 129.3 6.0 2.5 58 42 B I H X S+ 0 0 76 -4,-2.3 4,-2.4 1,-0.2 3,-0.2 0.936 119.6 47.2 -53.3 -50.9 128.1 7.9 -0.5 59 43 B L H < S+ 0 0 92 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.943 107.0 55.9 -57.6 -50.2 126.0 10.2 1.6 60 44 B D H < S+ 0 0 64 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.869 109.9 49.4 -50.3 -37.3 128.8 10.9 4.0 61 45 B R H < S+ 0 0 57 -4,-2.0 6,-0.6 -3,-0.2 2,-0.5 0.954 111.9 48.4 -69.0 -51.0 130.7 12.0 1.0 62 46 B L S < S+ 0 0 74 -4,-2.4 -1,-0.1 1,-0.2 3,-0.0 -0.810 70.5 102.3 -96.8 128.5 128.1 14.3 -0.5 63 47 B F S S- 0 0 175 -2,-0.5 -1,-0.2 -27,-0.0 -2,-0.1 0.212 94.0 -60.2-162.5 -54.3 126.5 16.8 1.9 64 48 B F S S- 0 0 155 -3,-0.3 4,-0.0 -28,-0.0 -2,-0.0 0.058 112.6 -13.7-170.9 -60.3 127.8 20.3 1.5 65 49 B K S > S+ 0 0 95 -28,-0.1 4,-3.5 2,-0.1 5,-0.2 0.122 89.7 119.1-147.9 18.5 131.6 20.7 2.1 66 50 B S H > S+ 0 0 21 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.933 78.8 51.2 -54.3 -49.8 132.4 17.4 3.8 67 51 B I H > S+ 0 0 40 -6,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.927 118.2 37.1 -53.8 -50.1 134.8 16.4 1.1 68 52 B Y H > S+ 0 0 101 -32,-0.2 4,-2.1 2,-0.2 5,-0.3 0.809 116.4 54.2 -74.2 -30.6 136.6 19.8 1.3 69 53 B R H X S+ 0 0 143 -4,-3.5 4,-2.1 2,-0.2 -2,-0.2 0.941 116.3 35.8 -69.2 -47.8 136.3 19.9 5.1 70 54 B F H X S+ 0 0 68 -4,-3.3 4,-2.5 -5,-0.2 5,-0.3 0.889 117.9 52.5 -72.6 -39.8 137.9 16.5 5.7 71 55 B F H X S+ 0 0 110 -4,-2.1 4,-1.1 -5,-0.4 -2,-0.2 0.901 116.6 38.4 -64.1 -41.4 140.4 16.9 2.9 72 56 B E H < S+ 0 0 71 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.880 114.4 54.8 -76.9 -38.1 141.6 20.3 4.2 73 57 B H H < S+ 0 0 155 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.946 112.4 42.3 -59.6 -49.3 141.4 19.3 7.8 74 58 B G H < 0 0 7 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.818 360.0 360.0 -67.2 -29.5 143.6 16.2 7.3 75 59 B L < 0 0 133 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.1 -0.375 360.0 360.0 -87.3 360.0 145.9 18.3 5.0 76 !* 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 77 23 C S 0 0 156 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 10.3 125.6 -23.1 13.0 78 24 C D > + 0 0 90 1,-0.1 4,-2.5 2,-0.1 3,-0.4 -0.406 360.0 172.1-157.7 72.3 126.6 -20.8 10.1 79 25 C P H > S+ 0 0 109 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.845 84.3 60.6 -51.0 -35.7 130.2 -19.5 10.2 80 26 C L H > S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.959 107.2 42.3 -58.2 -53.1 129.5 -18.1 6.7 81 27 C A H > S+ 0 0 27 -3,-0.4 4,-2.3 1,-0.2 3,-0.3 0.936 114.8 50.5 -60.2 -46.1 126.7 -15.9 8.0 82 28 C V H X S+ 0 0 77 -4,-2.5 4,-2.6 1,-0.3 5,-0.3 0.859 106.5 57.1 -60.3 -33.5 128.8 -15.0 11.0 83 29 C A H X S+ 0 0 27 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.3 0.888 106.1 50.2 -64.1 -38.4 131.6 -14.2 8.6 84 30 C A H X S+ 0 0 36 -4,-1.8 4,-2.1 -3,-0.3 -2,-0.2 0.952 113.7 42.9 -64.9 -51.3 129.3 -11.7 6.9 85 31 C S H X S+ 0 0 28 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.954 116.1 46.2 -62.0 -52.3 128.2 -9.9 10.0 86 32 C I H X S+ 0 0 102 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.889 111.6 53.6 -59.4 -37.7 131.7 -9.7 11.6 87 33 C I H X S+ 0 0 34 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.905 109.8 48.2 -63.1 -40.9 133.1 -8.6 8.3 88 34 C G H X S+ 0 0 12 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.959 112.5 46.0 -64.7 -52.1 130.6 -5.7 8.2 89 35 C I H X S+ 0 0 98 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.935 115.7 46.5 -56.7 -48.2 131.1 -4.5 11.7 90 36 C L H X S+ 0 0 90 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.845 111.0 54.7 -62.7 -34.3 134.9 -4.6 11.3 91 37 C H H X S+ 0 0 19 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.942 112.2 40.3 -65.1 -50.2 134.5 -2.9 7.9 92 38 C L H X S+ 0 0 28 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.915 117.7 48.0 -66.6 -44.9 132.6 0.1 9.3 93 39 C I H X S+ 0 0 102 -4,-2.5 4,-2.3 -5,-0.3 5,-0.4 0.936 115.7 43.4 -63.3 -47.1 134.7 0.4 12.4 94 40 C L H X S+ 0 0 79 -4,-2.3 4,-1.9 -5,-0.2 5,-0.3 0.897 114.8 51.2 -65.9 -40.5 138.0 0.2 10.6 95 41 C W H X S+ 0 0 46 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.961 117.3 36.5 -61.3 -54.5 136.8 2.6 7.9 96 42 C I H X S+ 0 0 81 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.965 122.9 41.6 -65.4 -55.0 135.5 5.3 10.2 97 43 C L H < S+ 0 0 89 -4,-2.3 -3,-0.2 -5,-0.3 7,-0.2 0.961 115.0 50.2 -59.8 -52.4 138.2 5.1 12.9 98 44 C D H < S+ 0 0 41 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.896 110.1 53.3 -52.9 -41.8 141.1 4.7 10.4 99 45 C R H < S+ 0 0 63 -4,-1.8 6,-1.0 -5,-0.3 -1,-0.2 0.963 119.9 27.1 -59.9 -53.5 139.8 7.7 8.5 100 46 C L S X S+ 0 0 73 -4,-2.4 4,-0.7 4,-0.2 5,-0.1 0.354 83.4 88.6 -84.1-140.4 139.7 10.0 11.6 101 47 C F T 4 S+ 0 0 143 2,-0.1 2,-2.2 3,-0.1 3,-0.3 -0.317 99.1 1.8 78.6-164.2 141.9 9.8 14.7 102 48 C F T 4 S- 0 0 129 1,-0.3 5,-0.2 2,-0.1 -1,-0.1 -0.301 125.5 -65.0 -57.0 81.5 145.2 11.4 15.1 103 49 C K T >> S+ 0 0 104 -2,-2.2 4,-1.1 1,-0.1 3,-0.7 0.846 79.3 169.6 33.3 53.3 145.0 13.0 11.6 104 50 C S H >X + 0 0 8 -4,-0.7 4,-2.6 -3,-0.3 3,-1.1 0.915 66.0 66.7 -57.9 -46.3 145.1 9.5 10.1 105 51 C I H 3> S+ 0 0 36 -6,-1.0 4,-2.2 1,-0.3 -1,-0.2 0.865 103.4 47.4 -43.5 -42.5 144.3 10.8 6.6 106 52 C Y H <> S+ 0 0 99 -3,-0.7 4,-2.0 2,-0.2 -1,-0.3 0.823 110.1 52.8 -71.1 -31.2 147.6 12.5 6.6 107 53 C R H > + 0 0 44 -111,-0.1 3,-2.4 2,-0.0 4,-1.0 -0.194 360.0 173.6-166.1 63.1 122.6 -20.0 0.1 117 25 D P H 3> S+ 0 0 116 0, 0.0 4,-1.0 0, 0.0 3,-0.2 0.802 88.9 61.5 -45.4 -27.3 125.4 -20.8 -2.3 118 26 D L H 3> S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.877 90.3 65.7 -67.9 -37.5 125.3 -17.1 -3.0 119 27 D A H <> S+ 0 0 14 -3,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.890 96.9 56.4 -51.4 -40.4 126.1 -16.3 0.6 120 28 D V H X S+ 0 0 74 -4,-1.0 4,-2.3 1,-0.3 3,-0.4 0.932 104.1 51.9 -57.6 -45.2 129.5 -17.9 -0.1 121 29 D A H X S+ 0 0 45 -4,-1.0 4,-2.4 -3,-0.3 -1,-0.3 0.844 106.0 56.2 -59.7 -32.8 130.0 -15.4 -2.9 122 30 D A H X S+ 0 0 27 -4,-1.8 4,-1.9 2,-0.2 -1,-0.3 0.858 106.5 49.9 -67.6 -35.4 129.1 -12.7 -0.4 123 31 D S H X S+ 0 0 32 -4,-1.8 4,-2.5 -3,-0.4 5,-0.3 0.956 114.5 41.5 -68.4 -50.8 131.9 -13.9 1.9 124 32 D I H X S+ 0 0 104 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.888 117.1 48.5 -64.7 -40.3 134.6 -13.9 -0.8 125 33 D I H X S+ 0 0 32 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.864 113.8 47.4 -69.0 -35.7 133.4 -10.7 -2.4 126 34 D G H X S+ 0 0 20 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.962 116.6 40.0 -70.7 -52.6 133.3 -8.9 1.0 127 35 D I H X S+ 0 0 70 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.915 117.7 50.3 -63.2 -40.8 136.7 -10.0 2.3 128 36 D L H X S+ 0 0 81 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.875 109.3 52.8 -63.4 -37.5 138.1 -9.5 -1.2 129 37 D H H X S+ 0 0 20 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.951 109.6 46.6 -63.1 -50.7 136.6 -6.0 -1.2 130 38 D L H X S+ 0 0 20 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.932 113.9 48.5 -57.0 -48.3 138.1 -5.0 2.1 131 39 D I H X S+ 0 0 87 -4,-2.5 4,-2.6 1,-0.2 5,-0.4 0.894 109.5 53.0 -60.0 -41.3 141.5 -6.3 1.1 132 40 D L H X S+ 0 0 77 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 0.885 109.0 50.6 -62.3 -39.4 141.3 -4.5 -2.2 133 41 D W H X S+ 0 0 49 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.960 115.0 40.1 -63.3 -54.4 140.5 -1.2 -0.4 134 42 D I H X S+ 0 0 74 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.955 121.4 41.4 -61.8 -53.2 143.4 -1.4 2.0 135 43 D L H < S+ 0 0 84 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.938 113.9 52.6 -61.5 -48.4 146.0 -2.7 -0.5 136 44 D D H < S+ 0 0 46 -4,-2.2 4,-0.2 -5,-0.4 -1,-0.2 0.918 110.3 48.9 -54.4 -45.7 144.9 -0.5 -3.3 137 45 D R H < S+ 0 0 40 -4,-2.2 6,-0.9 -5,-0.3 2,-0.5 0.950 126.0 24.5 -60.1 -50.2 145.2 2.5 -1.0 138 46 D L S < S+ 0 0 72 -4,-2.4 -1,-0.2 -5,-0.2 -26,-0.1 -0.973 86.6 89.7-122.7 125.6 148.7 1.5 0.1 139 47 D F S S- 0 0 149 -2,-0.5 -1,-0.1 -3,-0.2 -3,-0.1 0.139 102.7 -11.0-174.2 -45.4 151.0 -0.7 -2.0 140 48 D F S S- 0 0 139 -4,-0.2 -28,-0.1 -3,-0.1 -27,-0.1 -0.209 115.8 -56.1-172.9 68.0 153.2 1.4 -4.3 141 49 D K S > S+ 0 0 99 -29,-0.5 4,-1.0 -30,-0.1 -3,-0.1 0.884 82.8 152.9 55.9 39.5 152.2 5.1 -4.6 142 50 D S H >> + 0 0 0 -5,-0.2 4,-2.2 1,-0.2 3,-1.4 0.960 65.8 55.6 -64.1 -52.8 148.7 4.0 -5.6 143 51 D I H 3> S+ 0 0 35 -6,-0.9 4,-2.2 1,-0.3 -1,-0.2 0.838 107.4 53.1 -49.0 -34.3 146.9 7.0 -4.3 144 52 D Y H 3> S+ 0 0 125 2,-0.2 4,-2.0 3,-0.2 -1,-0.3 0.808 106.9 51.7 -72.5 -29.9 149.3 9.0 -6.5 145 53 D R H