==== 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/TRANSPORT PROTEIN 16-SEP-11 3TUJ . COMPND 2 MOLECULE: D-METHIONINE TRANSPORT SYSTEM PERMEASE PROTEIN ME . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.JOHNSON,P.NGUYEN,D.C.REES . 1119 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51467.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 812 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 10.4 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 . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 58 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 453 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.1 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 2 3 6 4 6 3 4 0 2 4 0 2 1 0 1 0 0 0 0 0 1 0 0 2 1 1 2 RESIDUES PER ALPHA HELIX . 0 0 2 2 4 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 . 2 2 2 1 1 4 3 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 . 0 0 2 0 2 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 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 1 A X 0 0 109 0, 0.0 2,-0.1 0, 0.0 187,-0.0 0.000 360.0 360.0 360.0 170.1 -28.4 -48.7 2.8 2 2 A S > - 0 0 64 1,-0.1 4,-1.3 2,-0.0 5,-0.1 -0.387 360.0-126.8 -76.5 150.7 -31.3 -49.9 0.6 3 3 A E H > S+ 0 0 170 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.882 105.7 44.8 -67.2 -45.3 -34.7 -48.2 0.9 4 4 A P H 4 S+ 0 0 103 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.782 113.3 52.5 -71.2 -25.2 -37.0 -51.2 1.5 5 5 A X H > S+ 0 0 33 2,-0.2 4,-0.8 1,-0.2 3,-0.2 0.736 103.8 56.9 -80.0 -26.8 -34.5 -52.6 4.1 6 6 A X H >X S+ 0 0 117 -4,-1.3 4,-1.0 1,-0.2 3,-0.6 0.859 101.6 57.7 -64.5 -38.7 -34.5 -49.2 5.9 7 7 A W H 3X S+ 0 0 195 -4,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.681 96.8 62.8 -67.8 -19.3 -38.3 -49.7 6.2 8 8 A L H 3> S+ 0 0 34 -4,-0.3 4,-1.5 -3,-0.2 -1,-0.2 0.847 97.5 55.3 -73.3 -34.1 -37.6 -53.0 8.0 9 9 A L H S+ 0 0 76 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.919 113.8 47.2 -62.6 -45.1 -49.7 -55.0 44.1 34 34 A V H X S+ 0 0 41 -4,-1.0 4,-1.5 1,-0.2 -2,-0.2 0.820 111.9 53.2 -65.5 -29.6 -47.1 -57.7 45.0 35 35 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.911 110.8 43.4 -70.9 -42.7 -44.7 -54.8 45.8 36 36 A V H X S+ 0 0 23 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.845 110.7 57.6 -70.0 -33.3 -47.2 -53.2 48.2 37 37 A L H X S+ 0 0 65 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.869 107.7 47.8 -62.1 -36.4 -47.9 -56.6 49.6 38 38 A L H < S+ 0 0 0 -4,-1.5 4,-0.2 2,-0.2 -2,-0.2 0.868 111.6 49.0 -72.5 -38.4 -44.3 -57.0 50.4 39 39 A Y H >< S+ 0 0 3 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.877 114.2 44.6 -68.8 -40.5 -44.0 -53.5 52.0 40 40 A V H 3< S+ 0 0 18 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.843 109.2 56.9 -72.2 -33.6 -47.1 -54.0 54.2 41 41 A T T 3< S+ 0 0 1 -4,-1.5 12,-0.3 -5,-0.3 -1,-0.2 0.428 75.2 119.5 -84.2 3.6 -46.1 -57.5 55.2 42 42 A R S < S- 0 0 82 -3,-0.7 3,-0.1 -4,-0.2 8,-0.1 -0.520 81.0-101.3 -63.1 130.2 -42.7 -56.4 56.6 43 43 A P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.347 109.9 34.6 -56.6 135.9 -42.7 -57.4 60.3 44 44 A G S S+ 0 0 70 1,-0.4 2,-0.3 -4,-0.1 -2,-0.1 0.898 104.2 91.6 79.5 47.7 -43.5 -54.2 62.4 45 45 A Q S > S- 0 0 41 -5,-0.1 3,-0.6 -3,-0.1 -1,-0.4 -0.927 91.4 -49.4-153.2 176.4 -45.9 -52.6 59.9 46 46 A I T 3 S+ 0 0 32 -2,-0.3 -4,-0.1 1,-0.2 74,-0.0 -0.332 130.2 0.5 -54.6 126.0 -49.6 -52.4 59.0 47 47 A I T 3 S- 0 0 98 -6,-0.1 -1,-0.2 -2,-0.0 0, 0.0 0.973 82.8-167.5 43.4 72.7 -50.7 -56.1 58.9 48 48 A A < + 0 0 36 -3,-0.6 5,-0.2 -7,-0.0 -2,-0.1 0.964 18.9 163.9 -49.2 -68.4 -47.2 -57.5 59.8 49 49 A N >> - 0 0 99 1,-0.1 4,-1.2 3,-0.1 3,-0.7 0.921 17.2-170.2 45.0 68.1 -47.9 -61.3 59.0 50 50 A A H 3> S+ 0 0 56 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.732 76.7 58.6 -64.7 -26.9 -44.2 -62.3 59.0 51 51 A K H 3> S+ 0 0 176 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.842 102.8 53.3 -73.7 -33.9 -44.8 -65.8 57.6 52 52 A L H <> S+ 0 0 73 -3,-0.7 4,-3.0 1,-0.2 5,-0.3 0.878 107.7 51.0 -66.0 -40.5 -46.5 -64.5 54.4 53 53 A Y H X S+ 0 0 39 -4,-1.2 4,-1.6 -12,-0.3 5,-0.3 0.782 105.3 56.5 -67.3 -30.5 -43.5 -62.2 53.7 54 54 A R H X S+ 0 0 184 -4,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.890 114.5 39.7 -65.4 -38.5 -41.2 -65.2 54.1 55 55 A T H X S+ 0 0 80 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.960 118.3 43.7 -74.1 -54.1 -43.2 -67.0 51.3 56 56 A V H X S+ 0 0 18 -4,-3.0 4,-1.8 1,-0.2 -3,-0.2 0.840 114.0 51.9 -65.5 -33.0 -43.8 -64.1 49.0 57 57 A S H X S+ 0 0 11 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.947 109.4 47.8 -68.7 -50.1 -40.2 -62.8 49.3 58 58 A A H X S+ 0 0 31 -4,-1.4 4,-2.2 -5,-0.3 5,-0.2 0.843 109.1 56.6 -60.5 -32.1 -38.7 -66.2 48.5 59 59 A I H X S+ 0 0 87 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.963 110.0 42.4 -62.6 -51.7 -41.0 -66.5 45.5 60 60 A V H X S+ 0 0 12 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.669 112.5 56.7 -73.3 -16.9 -39.9 -63.3 43.9 61 61 A N H X S+ 0 0 56 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.906 107.4 45.4 -75.8 -45.7 -36.3 -64.1 44.7 62 62 A I H X S+ 0 0 78 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.923 116.0 46.8 -65.0 -42.6 -36.2 -67.4 42.9 63 63 A F H < S+ 0 0 81 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.919 115.3 45.4 -66.4 -40.9 -38.0 -65.9 39.9 64 64 A R H < S+ 0 0 121 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.755 105.1 62.9 -75.2 -24.5 -35.7 -62.9 39.8 65 65 A S H < S+ 0 0 20 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.825 83.4 93.6 -67.7 -30.5 -32.7 -65.1 40.3 66 66 A I S < S- 0 0 14 -4,-1.1 344,-0.1 -3,-0.4 5,-0.1 -0.485 82.8-121.5 -67.3 124.4 -33.3 -66.9 36.9 67 67 A P > - 0 0 13 0, 0.0 4,-1.5 0, 0.0 5,-0.1 -0.318 29.1-110.1 -60.8 155.5 -31.4 -65.3 34.0 68 68 A F H > S+ 0 0 11 1,-0.2 4,-3.1 2,-0.2 3,-0.4 0.902 108.4 41.3 -67.2 -50.3 -33.7 -64.1 31.2 69 69 A I H > S+ 0 0 7 1,-0.3 4,-2.1 307,-0.2 5,-0.2 0.812 111.5 57.4 -74.6 -24.2 -33.2 -66.3 28.3 70 70 A I H > S+ 0 0 2 2,-0.2 4,-1.6 3,-0.2 -1,-0.3 0.879 112.6 43.3 -64.9 -33.1 -33.1 -69.3 30.5 71 71 A L H X S+ 0 0 2 -4,-1.5 4,-2.8 -3,-0.4 5,-0.2 0.980 113.7 49.2 -71.6 -54.8 -36.6 -68.2 31.6 72 72 A L H < S+ 0 0 13 -4,-3.1 4,-0.5 1,-0.3 -2,-0.2 0.854 116.3 42.3 -53.2 -45.0 -37.9 -67.4 28.2 73 73 A V H >< S+ 0 0 2 -4,-2.1 3,-0.6 -5,-0.2 -1,-0.3 0.878 115.7 49.6 -72.2 -37.2 -36.7 -70.7 26.7 74 74 A W H 3< S+ 0 0 77 -4,-1.6 4,-0.3 -5,-0.2 -2,-0.2 0.801 110.8 50.5 -72.1 -28.9 -37.9 -72.6 29.8 75 75 A X T 3X S+ 0 0 13 -4,-2.8 4,-3.9 1,-0.2 3,-0.5 0.514 80.2 103.2 -84.3 -10.4 -41.3 -70.9 29.6 76 76 A I H <> S+ 0 0 14 -3,-0.6 4,-1.8 -4,-0.5 -1,-0.2 0.856 80.7 46.8 -43.8 -50.3 -41.7 -71.7 25.9 77 77 A P H > S+ 0 0 43 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.909 117.9 42.0 -65.3 -37.9 -44.2 -74.5 26.5 78 78 A F H > S+ 0 0 111 -3,-0.5 4,-2.7 -4,-0.3 5,-0.3 0.905 111.3 56.3 -70.7 -38.2 -46.2 -72.5 28.9 79 79 A T H X>S+ 0 0 3 -4,-3.9 4,-1.6 1,-0.2 5,-0.6 0.822 108.5 50.2 -60.1 -29.3 -45.9 -69.5 26.7 80 80 A R H X5S+ 0 0 111 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.916 111.9 44.3 -72.9 -46.6 -47.4 -71.8 24.0 81 81 A V H <5S+ 0 0 115 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.1 0.858 117.3 46.2 -69.4 -33.1 -50.4 -72.9 26.1 82 82 A I H <5S+ 0 0 94 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.907 134.6 12.7 -78.6 -41.0 -51.1 -69.5 27.3 83 83 A V H <5S- 0 0 50 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.2 0.862 95.8-129.2 -99.2 -50.0 -50.8 -67.6 24.0 84 84 A G S < S- 0 0 24 80,-1.0 4,-0.8 -2,-0.4 -2,-0.0 -0.643 99.4 -42.6 105.6-171.1 -43.9 -63.7 17.7 89 89 A L H > S+ 0 0 55 -2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.890 129.4 46.6 -68.2 -44.0 -45.1 -60.5 19.3 90 90 A Q H > S+ 0 0 146 1,-0.2 4,-0.6 -3,-0.2 3,-0.3 0.872 115.1 46.6 -68.9 -35.7 -48.0 -61.8 21.4 91 91 A A H 4 S+ 0 0 2 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.714 104.1 66.8 -80.1 -15.6 -46.0 -64.7 22.7 92 92 A A H X S+ 0 0 5 -4,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.852 91.4 58.0 -72.9 -34.8 -43.1 -62.5 23.5 93 93 A I H X S+ 0 0 33 -4,-1.0 4,-3.3 -3,-0.3 -1,-0.2 0.820 94.8 63.1 -74.3 -28.0 -44.7 -60.5 26.2 94 94 A V H < S+ 0 0 32 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.903 108.6 40.4 -67.5 -41.6 -45.6 -63.3 28.5 95 95 A P H 4 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.812 113.3 56.1 -72.6 -29.1 -42.0 -64.3 29.1 96 96 A L H >X S+ 0 0 0 -4,-1.5 4,-1.0 2,-0.1 3,-0.8 0.950 107.1 55.2 -65.3 -46.9 -41.0 -60.6 29.3 97 97 A T T 3< S+ 0 0 16 -4,-3.3 -70,-0.1 1,-0.2 -73,-0.1 -0.388 104.4 41.1 -70.8 162.3 -43.6 -60.2 32.1 98 98 A V T 34 S+ 0 0 43 1,-0.2 -1,-0.2 -72,-0.1 -2,-0.1 0.121 116.7 54.3 76.5 -22.8 -42.9 -62.6 34.8 99 99 A G T <4 S+ 0 0 11 -3,-0.8 -2,-0.2 -4,-0.2 -1,-0.2 0.616 115.4 40.8-100.7 -24.2 -39.3 -61.7 34.2 100 100 A A S X S+ 0 0 3 -4,-1.0 4,-2.3 2,-0.1 5,-0.2 0.744 105.1 62.9 -86.7 -35.6 -40.5 -58.1 34.7 101 101 A A H > S+ 0 0 10 2,-0.2 4,-3.8 1,-0.2 5,-0.2 0.964 105.8 42.8 -58.8 -60.6 -42.9 -58.4 37.6 102 102 A P H > S+ 0 0 12 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.757 110.8 61.3 -57.2 -25.9 -40.4 -59.6 40.3 103 103 A F H > S+ 0 0 43 2,-0.2 4,-0.9 -4,-0.2 3,-0.3 0.980 116.9 27.5 -63.1 -56.4 -38.0 -57.0 38.9 104 104 A I H X S+ 0 0 1 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.801 109.3 70.2 -81.0 -28.5 -40.3 -54.2 39.8 105 105 A A H X S+ 0 0 1 -4,-3.8 4,-1.1 1,-0.2 -1,-0.2 0.889 105.7 43.2 -53.4 -36.2 -42.0 -55.9 42.6 106 106 A R H X S+ 0 0 45 -4,-1.1 4,-2.0 -3,-0.3 -1,-0.2 0.798 113.5 50.5 -80.2 -30.7 -38.7 -55.5 44.5 107 107 A X H X S+ 0 0 51 -4,-0.9 4,-3.3 2,-0.2 5,-0.2 0.856 107.9 53.6 -73.3 -35.2 -38.2 -52.0 43.3 108 108 A V H X S+ 0 0 1 -4,-3.4 4,-1.3 2,-0.2 -2,-0.2 0.854 109.3 48.9 -67.5 -36.1 -41.7 -51.1 44.4 109 109 A E H X S+ 0 0 6 -4,-1.1 4,-1.2 -5,-0.3 -2,-0.2 0.960 116.0 42.4 -64.9 -50.3 -41.0 -52.4 47.9 110 110 A N H X S+ 0 0 89 -4,-2.0 4,-0.6 1,-0.2 3,-0.4 0.902 113.6 51.0 -66.0 -40.2 -37.7 -50.5 48.1 111 111 A A H < S+ 0 0 11 -4,-3.3 3,-0.4 1,-0.3 -1,-0.2 0.812 110.6 50.3 -67.9 -27.1 -39.1 -47.3 46.6 112 112 A L H >< S+ 0 0 5 -4,-1.3 3,-0.9 1,-0.2 -1,-0.3 0.694 100.3 64.6 -83.1 -20.0 -42.0 -47.4 49.1 113 113 A L H 3< S+ 0 0 60 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.667 82.7 76.4 -76.4 -15.6 -39.5 -47.9 51.9 114 114 A E T 3< S+ 0 0 152 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.735 76.2 97.0 -64.5 -21.5 -38.1 -44.4 51.2 115 115 A I S < S- 0 0 12 -3,-0.9 2,-0.1 -4,-0.2 23,-0.0 -0.514 87.7-110.8 -67.6 135.0 -41.3 -43.1 52.9 116 116 A P >> - 0 0 72 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.392 17.7-126.1 -65.5 143.8 -40.7 -42.3 56.7 117 117 A T H >> S+ 0 0 95 1,-0.3 4,-1.2 2,-0.2 3,-1.0 0.811 103.3 74.2 -62.6 -24.2 -42.3 -44.6 59.2 118 118 A G H 3> S+ 0 0 10 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.758 86.0 61.3 -62.3 -29.1 -43.9 -41.6 60.8 119 119 A L H <> S+ 0 0 6 -3,-1.5 4,-2.1 1,-0.2 -1,-0.3 0.820 100.9 53.1 -67.4 -32.0 -46.4 -41.2 58.0 120 120 A I H S+ 0 0 1 -4,-2.1 5,-1.4 1,-0.2 4,-0.5 0.936 113.9 40.7 -63.6 -44.8 -52.2 -42.2 58.8 124 124 A R H <5S+ 0 0 64 -4,-2.1 -2,-0.2 1,-0.2 3,-0.2 0.788 111.3 58.6 -74.1 -25.8 -53.4 -44.6 61.5 125 125 A A H <5S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.872 103.5 50.5 -70.3 -37.7 -53.7 -41.7 64.0 126 126 A X H <5S- 0 0 21 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.711 123.0-110.5 -70.9 -14.2 -56.1 -39.9 61.7 127 127 A G T <5 + 0 0 3 -4,-0.5 2,-0.3 -3,-0.2 -3,-0.2 0.880 58.6 158.9 78.2 52.7 -58.1 -43.1 61.5 128 128 A A < - 0 0 13 -5,-1.4 -1,-0.2 2,-0.0 -2,-0.0 -0.796 40.5-117.4-103.2 148.4 -57.7 -44.3 58.0 129 129 A T >> - 0 0 55 -2,-0.3 4,-1.8 1,-0.1 3,-1.4 -0.550 35.5-104.8 -78.4 151.5 -58.2 -47.9 56.8 130 130 A P H 3> S+ 0 0 72 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.784 123.9 54.2 -51.3 -29.1 -55.1 -49.6 55.4 131 131 A X H 3> S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.867 106.0 51.0 -73.1 -35.1 -56.6 -49.1 51.9 132 132 A Q H <> S+ 0 0 77 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.805 109.3 52.8 -69.7 -26.8 -56.9 -45.4 52.5 133 133 A I H X>S+ 0 0 2 -4,-1.8 5,-2.6 2,-0.2 4,-1.6 0.956 113.7 41.1 -69.5 -51.2 -53.3 -45.4 53.6 134 134 A V H <>S+ 0 0 24 -4,-2.2 5,-1.3 3,-0.2 -2,-0.2 0.840 117.9 48.6 -68.4 -32.1 -52.2 -47.1 50.4 135 135 A R H <5S+ 0 0 179 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.959 130.7 10.8 -71.2 -63.7 -54.5 -45.0 48.2 136 136 A K H <5S+ 0 0 119 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.058 134.3 33.3-109.8 15.9 -53.8 -41.5 49.3 137 137 A V T X5S+ 0 0 3 -4,-1.6 4,-1.2 391,-0.0 -3,-0.2 0.443 119.3 32.8-124.4 -60.8 -50.7 -41.7 51.6 138 138 A L H >X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 3,-1.1 0.620 91.6 94.4 -81.8 -13.1 -43.7 -43.1 46.8 143 143 A L H 3X S+ 0 0 65 -4,-1.4 4,-2.5 1,-0.3 5,-0.3 0.851 77.7 54.5 -50.6 -50.4 -44.8 -41.8 43.4 144 144 A P H 3> S+ 0 0 43 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.866 116.6 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S+ 0 0 99 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.847 113.8 44.1 -70.9 -32.6 -19.1 -42.3 27.2 277 60 B V H X S+ 0 0 17 -4,-0.9 4,-2.4 -5,-0.3 -2,-0.2 0.839 112.8 53.3 -75.9 -34.8 -19.8 -44.7 30.1 278 61 B N H X S+ 0 0 45 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.842 107.9 50.2 -65.9 -34.9 -23.5 -43.7 29.8 279 62 B I H < S+ 0 0 77 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.863 113.2 45.5 -75.7 -33.7 -23.6 -44.6 26.1 280 63 B F H >< S+ 0 0 110 -4,-1.2 3,-1.5 1,-0.2 -2,-0.2 0.953 112.6 48.4 -70.6 -51.8 -22.0 -48.0 26.6 281 64 B R H 3< S+ 0 0 85 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.782 104.3 62.8 -63.6 -25.3 -24.1 -49.0 29.6 282 65 B S T 3< S+ 0 0 17 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.691 83.4 94.3 -72.8 -21.5 -27.2 -48.0 27.7 283 66 B I S < S- 0 0 20 -3,-1.5 -90,-0.1 -4,-0.5 -89,-0.1 -0.594 85.2-115.6 -72.5 126.8 -26.6 -50.6 24.9 284 67 B P > - 0 0 13 0, 0.0 4,-1.9 0, 0.0 3,-0.2 -0.371 26.0-121.6 -57.6 143.8 -28.4 -53.9 25.5 285 68 B F H > S+ 0 0 6 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.853 106.6 48.5 -64.0 -39.7 -25.9 -56.8 26.1 286 69 B I H > S+ 0 0 2 -127,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.843 112.0 49.0 -72.7 -32.7 -26.9 -59.1 23.2 287 70 B I H > S+ 0 0 2 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.844 114.4 47.7 -72.9 -30.2 -26.9 -56.2 20.7 288 71 B L H X S+ 0 0 6 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.949 111.5 49.7 -66.6 -52.8 -23.4 -55.3 22.0 289 72 B L H < S+ 0 0 9 -4,-3.2 -2,-0.2 1,-0.2 4,-0.2 0.883 114.5 44.3 -51.6 -46.3 -22.1 -58.9 21.9 290 73 B V H >< S+ 0 0 1 -4,-1.9 3,-0.7 2,-0.2 -1,-0.2 0.870 115.8 46.5 -71.7 -37.7 -23.3 -59.4 18.3 291 74 B W H 3< S+ 0 0 89 -4,-1.6 4,-0.4 1,-0.2 -2,-0.2 0.796 110.4 55.0 -72.4 -28.9 -22.0 -55.9 17.2 292 75 B X T 3X S+ 0 0 9 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.417 82.9 90.8 -84.0 -1.3 -18.8 -56.7 19.0 293 76 B I H <> S+ 0 0 20 -3,-0.7 4,-2.5 2,-0.2 5,-0.2 0.993 85.7 48.8 -56.4 -61.1 -18.3 -60.0 17.0 294 77 B P H > S+ 0 0 41 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.869 117.7 43.0 -46.5 -41.3 -16.3 -58.4 14.2 295 78 B F H > S+ 0 0 109 -4,-0.4 4,-1.3 1,-0.2 3,-0.3 0.860 112.4 51.2 -74.8 -37.0 -14.1 -56.7 16.8 296 79 B T H X>S+ 0 0 3 -4,-2.9 4,-1.4 -3,-0.2 5,-0.7 0.773 101.1 65.4 -70.1 -26.0 -13.8 -59.7 19.0 297 80 B R H X5S+ 0 0 121 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.879 106.8 40.8 -61.9 -40.7 -12.7 -61.8 16.0 298 81 B V H <5S+ 0 0 110 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.769 113.6 52.1 -81.2 -29.6 -9.6 -59.7 15.6 299 82 B I H <5S+ 0 0 87 -4,-1.3 -2,-0.2 1,-0.1 -3,-0.1 0.994 126.1 18.2 -72.7 -64.5 -8.6 -59.5 19.3 300 83 B V H <5S- 0 0 43 -4,-1.4 -3,-0.2 8,-0.1 -2,-0.1 0.764 96.4-135.5 -78.9 -28.0 -8.7 -63.1 20.5 301 84 B G S < S- 0 0 22 80,-0.9 4,-1.8 -2,-0.3 5,-0.1 -0.206 92.0 -56.8 89.2-178.1 -15.8 -70.0 22.9 306 89 B L H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.937 129.2 54.4 -67.7 -50.7 -15.0 -68.8 26.4 307 90 B Q H 4 S+ 0 0 157 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.807 116.7 40.0 -56.8 -32.2 -11.7 -67.1 25.7 308 91 B A H >4 S+ 0 0 2 -4,-0.5 3,-0.6 1,-0.1 -1,-0.2 0.794 112.6 56.4 -82.1 -32.8 -13.5 -65.0 23.0 309 92 B A H 3X S+ 0 0 10 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.786 91.5 67.8 -73.6 -30.5 -16.6 -64.5 25.0 310 93 B I H 3X S+ 0 0 28 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.754 92.3 62.8 -69.0 -20.7 -15.1 -62.9 28.0 311 94 B V H <> S+ 0 0 26 -3,-0.6 4,-2.4 -4,-0.2 -1,-0.2 0.969 104.7 43.3 -68.4 -53.5 -14.1 -59.8 26.1 312 95 B P H > S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.870 114.2 54.8 -55.6 -35.9 -17.7 -58.7 25.2 313 96 B L H X S+ 0 0 2 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.899 109.2 45.3 -65.0 -40.9 -18.6 -59.6 28.8 314 97 B T H X S+ 0 0 10 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.856 111.3 53.5 -73.2 -31.6 -16.0 -57.3 30.2 315 98 B V H < S+ 0 0 36 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 114.1 40.3 -69.3 -37.5 -16.9 -54.5 27.8 316 99 B G H < S+ 0 0 9 -4,-1.9 4,-0.5 -5,-0.2 -2,-0.2 0.797 116.3 49.2 -79.5 -31.9 -20.5 -54.5 28.8 317 100 B A H X S+ 0 0 3 -4,-1.8 4,-2.0 -5,-0.2 5,-0.2 0.657 96.6 69.8 -83.5 -19.7 -20.0 -55.0 32.5 318 101 B A H X S+ 0 0 12 -4,-1.3 4,-2.7 2,-0.2 -1,-0.1 0.952 98.1 48.1 -65.7 -54.4 -17.4 -52.3 33.0 319 102 B P H > S+ 0 0 9 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.838 109.5 57.8 -50.3 -35.0 -19.8 -49.3 32.5 320 103 B F H > S+ 0 0 62 -4,-0.5 4,-1.5 1,-0.2 -2,-0.2 0.955 114.2 34.6 -64.1 -51.7 -22.1 -51.1 34.9 321 104 B I H X S+ 0 0 3 -4,-2.0 4,-2.9 1,-0.2 5,-0.4 0.793 109.3 70.4 -72.4 -26.5 -19.6 -51.2 37.8 322 105 B A H X S+ 0 0 1 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.944 108.3 32.0 -56.4 -52.0 -18.2 -47.8 36.6 323 106 B R H X S+ 0 0 33 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.854 117.3 56.7 -76.4 -34.5 -21.3 -46.0 37.8 324 107 B X H X S+ 0 0 48 -4,-1.5 4,-3.0 -5,-0.2 -2,-0.2 0.871 108.3 46.6 -66.4 -37.8 -22.0 -48.3 40.7 325 108 B V H X S+ 0 0 2 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.895 113.5 49.1 -67.8 -41.7 -18.6 -47.7 42.2 326 109 B E H X S+ 0 0 2 -4,-1.4 4,-0.8 -5,-0.4 -2,-0.2 0.881 115.8 44.6 -64.0 -38.4 -19.0 -44.0 41.7 327 110 B N H < S+ 0 0 85 -4,-2.7 4,-0.4 2,-0.2 3,-0.3 0.911 115.0 46.4 -70.2 -45.8 -22.5 -44.2 43.3 328 111 B A H < S+ 0 0 11 -4,-3.0 3,-0.4 1,-0.2 -2,-0.2 0.776 110.7 53.7 -69.4 -27.8 -21.4 -46.4 46.2 329 112 B L H >< S+ 0 0 5 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.711 101.5 59.6 -79.0 -21.7 -18.3 -44.2 46.8 330 113 B L T 3< S+ 0 0 60 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.619 86.3 77.4 -79.2 -12.0 -20.6 -41.2 47.1 331 114 B E T 3 S+ 0 0 158 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.600 74.8 97.5 -72.1 -12.6 -22.4 -42.9 50.0 332 115 B I S < S- 0 0 14 -3,-0.8 2,-0.3 -4,-0.1 23,-0.0 -0.547 90.2-100.2 -71.9 141.7 -19.4 -41.8 52.1 333 116 B P > - 0 0 62 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.500 28.2-127.9 -69.8 129.3 -20.0 -38.6 54.1 334 117 B T T 3 S+ 0 0 113 -2,-0.3 537,-0.1 1,-0.2 -4,-0.0 -0.556 98.1 49.5 -71.2 140.0 -18.5 -35.4 52.7 335 118 B G T 3> S+ 0 0 8 -2,-0.2 4,-1.9 536,-0.0 -1,-0.2 -0.031 89.5 81.1 104.9 -21.7 -16.5 -33.7 55.4 336 119 B L H <> S+ 0 0 10 -3,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.713 92.2 55.5 -74.6 -24.2 -14.7 -37.0 56.2 337 120 B I H > S+ 0 0 20 -4,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.871 107.2 47.3 -70.9 -37.7 -12.8 -35.8 53.2 338 121 B E H > S+ 0 0 54 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.918 108.3 53.0 -69.8 -45.6 -12.0 -32.5 55.0 339 122 B A H X S+ 0 0 2 -4,-1.9 4,-0.8 1,-0.3 -1,-0.2 0.754 105.7 57.3 -61.7 -25.3 -10.9 -34.1 58.3 340 123 B S H >X>S+ 0 0 3 -4,-0.8 5,-1.3 2,-0.2 4,-0.9 0.901 107.7 44.7 -70.4 -43.6 -8.6 -36.1 56.1 341 124 B R H 3<5S+ 0 0 132 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.728 105.6 64.2 -69.6 -21.3 -7.1 -32.8 54.8 342 125 B A H 3<5S+ 0 0 8 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.754 103.4 46.7 -70.9 -27.9 -7.0 -31.6 58.5 343 126 B X H <<5S- 0 0 19 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.716 118.0-119.7 -83.3 -24.8 -4.6 -34.4 59.3 344 127 B G T <5 + 0 0 16 -4,-0.9 -3,-0.2 1,-0.2 513,-0.1 0.662 53.3 155.6 98.5 17.9 -2.6 -33.4 56.2 345 128 B A < - 0 0 12 -5,-1.3 -1,-0.2 1,-0.1 -2,-0.0 -0.381 44.5-108.8 -76.7 156.4 -2.5 -36.5 54.0 346 129 B T >> - 0 0 71 1,-0.1 3,-2.0 -2,-0.1 4,-1.5 -0.506 34.3-104.5 -81.2 154.0 -2.0 -36.4 50.2 347 130 B P H 3> S+ 0 0 79 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.607 122.5 54.0 -59.8 -15.8 -5.0 -37.1 47.9 348 131 B X H 34 S+ 0 0 142 2,-0.2 4,-0.5 3,-0.1 5,-0.0 0.677 105.0 53.4 -85.6 -22.2 -3.5 -40.6 47.1 349 132 B Q H <> S+ 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