==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-OCT-97 249L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.XU,W.A.BAASE,E.BALDWIN,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8770.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.0 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 . 12 7.3 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 . 2 1.2 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 . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 52.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 1 0 1 2 0 0 1 1 0 0 0 0 0 0 1 1 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 . 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 1 A M 0 0 69 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.9 43.4 -1.8 9.1 2 2 A N > - 0 0 66 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.936 360.0 -81.3-154.7 175.1 40.2 -0.7 10.8 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.838 124.3 51.2 -53.7 -41.0 38.0 2.4 11.3 4 4 A F H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.945 113.5 42.8 -65.9 -47.4 40.2 3.7 14.2 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.883 114.0 53.2 -65.4 -37.9 43.4 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 3,-0.2 0.952 112.7 41.8 -64.4 -49.0 41.8 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.4 0.858 108.6 59.9 -68.7 -29.4 40.5 7.8 10.9 8 8 A R H X S+ 0 0 92 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.875 108.1 46.9 -66.1 -31.3 43.7 8.3 12.9 9 9 A I H < S+ 0 0 52 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.915 115.7 44.0 -73.5 -43.7 45.5 8.6 9.6 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.817 125.4 31.3 -71.3 -33.2 43.0 11.0 8.1 11 11 A E H < S- 0 0 48 -4,-2.8 19,-0.3 -5,-0.2 -3,-0.2 0.743 90.9-154.9 -96.1 -31.9 42.7 13.2 11.2 12 12 A G < - 0 0 24 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.1 -0.241 25.2 -88.1 79.5-173.5 46.1 13.1 12.9 13 13 A L + 0 0 35 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.953 42.7 170.2-140.7 121.8 46.6 13.7 16.6 14 14 A R E -A 28 0A 142 14,-1.7 14,-2.2 -2,-0.4 4,-0.1 -0.997 19.1-161.7-134.1 125.2 47.2 17.1 18.2 15 15 A L E S+ 0 0 63 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.719 73.7 65.6 -78.8 -24.1 47.1 17.6 21.9 16 16 A K E S-C 57 0B 85 41,-0.2 41,-0.2 1,-0.1 12,-0.2 -0.694 100.6 -89.2 -99.4 156.4 46.7 21.4 21.8 17 17 A I E + 0 0 14 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.336 58.6 170.5 -56.4 136.8 43.6 23.2 20.5 18 18 A Y E -A 26 0A 24 8,-3.0 8,-2.9 -4,-0.1 2,-0.5 -0.881 36.1-101.1-141.9 174.3 44.1 23.8 16.8 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.866 35.0-138.6-102.6 133.0 42.1 25.0 13.8 20 20 A D > - 0 0 50 4,-3.0 3,-1.6 -2,-0.5 -1,-0.1 0.015 41.1 -79.0 -73.4-168.5 40.8 22.5 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.731 134.8 47.6 -64.1 -26.8 40.8 22.7 7.6 22 22 A E T 3 S- 0 0 72 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.313 124.7-102.9 -94.1 1.5 37.7 25.0 7.8 23 23 A G S < S+ 0 0 38 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.639 74.8 141.8 84.4 21.3 39.3 27.2 10.5 24 24 A Y - 0 0 74 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.781 59.0-103.4-100.2 144.0 37.3 25.7 13.4 25 25 A Y E +AB 19 34A 35 9,-0.7 8,-2.9 11,-0.4 9,-1.4 -0.384 53.8 158.7 -63.7 124.9 38.7 25.0 16.8 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-3.0 6,-0.3 2,-0.3 -0.886 19.2-165.3-139.5 167.6 39.3 21.3 17.3 27 27 A A E > + B 0 31A 2 4,-1.7 4,-1.9 -2,-0.3 2,-0.2 -0.981 50.8 2.8-152.2 163.4 41.4 19.2 19.5 28 28 A G E 4 S-A 14 0A 2 -14,-2.2 -14,-1.7 -2,-0.3 2,-1.0 -0.418 123.5 -5.0 67.1-127.4 42.8 15.5 19.7 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.592 127.8 -53.4-104.0 72.7 41.8 13.3 16.9 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.1 -19,-0.3 -2,-0.2 0.766 82.7 160.9 71.2 23.7 39.6 15.5 14.9 31 31 A H E < -B 27 0A 34 -4,-1.9 -4,-1.7 1,-0.0 -1,-0.2 -0.673 34.3-141.8 -81.1 100.0 37.3 16.4 17.8 32 32 A L E -B 26 0A 74 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.348 21.1-177.8 -60.3 130.4 35.4 19.5 16.7 33 33 A L E - 0 0 16 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.879 56.2 -27.8 -98.1 -46.9 35.0 21.8 19.6 34 34 A T E -B 25 0A 31 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.966 33.7-137.9-166.5 154.5 33.1 24.8 18.2 35 35 A K S S+ 0 0 141 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.467 73.6 112.2 -95.4 -4.8 32.4 26.8 15.1 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.397 74.7-129.0 -71.7 146.4 32.6 30.0 17.1 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.445 77.6 106.2 -72.5 -2.4 35.5 32.3 16.4 38 38 A S > - 0 0 51 1,-0.2 4,-1.9 -13,-0.0 5,-0.1 -0.734 54.0-163.1 -93.0 116.3 36.3 32.4 20.2 39 39 A L H > S+ 0 0 65 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.856 95.8 53.8 -61.5 -34.1 39.3 30.6 21.6 40 40 A N H > S+ 0 0 118 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.913 104.1 52.9 -70.3 -36.6 37.8 30.9 25.0 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 111.4 49.7 -63.0 -32.1 34.6 29.3 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.915 108.3 50.5 -70.5 -43.3 36.8 26.5 22.6 43 43 A K H X S+ 0 0 51 -4,-2.7 4,-2.1 1,-0.2 11,-0.2 0.911 110.3 52.3 -61.7 -40.2 38.7 26.2 25.8 44 44 A S H X S+ 0 0 69 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.921 109.0 47.4 -61.9 -46.5 35.4 26.0 27.6 45 45 A E H X S+ 0 0 65 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.906 110.4 54.3 -64.4 -38.9 34.1 23.2 25.3 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.919 109.5 46.4 -61.4 -42.8 37.3 21.3 25.8 47 47 A D H X>S+ 0 0 37 -4,-2.1 4,-2.6 2,-0.2 5,-1.4 0.900 112.2 50.3 -65.1 -40.4 37.1 21.3 29.6 48 48 A K H <5S+ 0 0 143 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.877 111.9 48.4 -66.1 -38.9 33.5 20.3 29.5 49 49 A A H <5S+ 0 0 40 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.888 121.7 34.1 -67.7 -39.7 34.3 17.4 27.1 50 50 A I H <5S- 0 0 36 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.734 104.9-123.8 -90.1 -29.6 37.2 16.1 29.3 51 51 A G T <5S+ 0 0 65 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.810 74.8 67.0 90.5 30.6 35.9 17.0 32.7 52 52 A R S - 0 0 6 -2,-1.1 3,-1.4 -11,-0.2 -1,-0.2 0.679 33.6-143.0 -88.2 -24.8 42.6 21.7 30.6 55 55 A N T 3 S- 0 0 116 1,-0.3 -2,-0.1 -12,-0.1 3,-0.1 0.839 75.2 -56.7 63.5 26.9 43.9 25.1 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.578 117.9 103.9 80.2 11.7 43.5 24.1 26.1 57 57 A V B < -C 16 0B 66 -3,-1.4 2,-0.2 -41,-0.2 -41,-0.2 -0.974 47.2-168.9-131.7 127.6 45.7 21.0 26.3 58 58 A A - 0 0 6 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.648 21.0-122.6-104.6 164.1 44.7 17.3 26.5 59 59 A T > - 0 0 65 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.609 32.5-105.8 -97.1 168.4 46.7 14.3 27.3 60 60 A K H > S+ 0 0 103 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.890 121.0 51.6 -58.2 -45.9 46.9 11.4 24.8 61 61 A D H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 109.5 49.9 -60.5 -42.1 44.7 9.2 26.8 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.919 111.2 50.1 -63.0 -43.6 42.0 12.0 27.0 63 63 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -34,-0.4 0.888 110.3 49.5 -60.0 -44.7 42.2 12.4 23.2 64 64 A E H X S+ 0 0 77 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.858 108.9 52.7 -66.4 -34.8 41.8 8.7 22.7 65 65 A K H X S+ 0 0 140 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.947 109.3 48.1 -67.3 -43.6 38.8 8.7 24.9 66 66 A L H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.912 110.8 54.0 -59.6 -40.2 37.2 11.5 22.9 67 67 A F H X S+ 0 0 12 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.928 106.4 49.6 -62.3 -47.3 38.0 9.6 19.8 68 68 A N H X S+ 0 0 88 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.916 111.7 49.4 -59.3 -42.5 36.3 6.4 21.0 69 69 A Q H X S+ 0 0 99 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.918 110.7 50.9 -61.9 -42.3 33.2 8.4 21.9 70 70 A D H X S+ 0 0 36 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.875 110.2 47.7 -65.0 -38.3 33.2 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.958 112.3 50.0 -67.0 -45.9 33.5 6.9 16.5 72 72 A D H X S+ 0 0 94 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.927 110.9 48.7 -54.8 -48.7 30.8 5.3 18.6 73 73 A A H X S+ 0 0 59 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.855 108.2 55.2 -61.3 -38.1 28.4 8.3 18.1 74 74 A A H X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.937 109.5 46.2 -61.8 -48.3 29.1 8.3 14.3 75 75 A V H X S+ 0 0 30 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.965 114.2 47.7 -59.4 -50.1 28.0 4.7 14.0 76 76 A R H X S+ 0 0 123 -4,-2.5 4,-1.8 1,-0.3 -2,-0.2 0.886 109.0 53.6 -62.8 -34.0 25.0 5.3 16.1 77 77 A G H X S+ 0 0 6 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.3 0.918 109.4 49.7 -65.9 -39.2 24.0 8.3 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 7,-0.4 0.942 110.1 50.0 -62.0 -47.0 24.2 6.2 11.0 79 79 A L H 3< S+ 0 0 59 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.785 112.3 47.6 -66.9 -24.6 22.0 3.5 12.5 80 80 A R H 3< S+ 0 0 178 -4,-1.8 2,-0.6 -5,-0.2 -1,-0.3 0.526 91.5 94.1 -91.7 -6.8 19.4 6.0 13.6 81 81 A N S+ 0 0 0 -3,-0.3 4,-2.4 -6,-0.2 3,-0.3 0.854 102.2 66.4 -90.7 -38.4 21.9 6.2 6.1 85 85 A K H X S+ 0 0 77 -4,-3.3 4,-2.8 -7,-0.4 5,-0.2 0.916 98.2 51.2 -51.0 -50.2 21.0 3.1 7.7 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.894 111.9 48.2 -61.2 -34.0 19.8 1.2 4.7 87 87 A V H > S+ 0 0 1 -4,-0.4 4,-0.8 -3,-0.3 3,-0.3 0.966 111.2 48.8 -69.9 -47.2 23.0 2.0 2.9 88 88 A Y H >< S+ 0 0 30 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.912 109.0 54.3 -56.6 -45.6 25.3 1.0 5.7 89 89 A D H 3< S+ 0 0 74 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.851 106.3 52.8 -61.7 -31.1 23.4 -2.3 6.1 90 90 A S H 3< S+ 0 0 41 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.628 96.5 88.6 -79.8 -12.1 23.9 -3.1 2.4 91 91 A L S << S- 0 0 5 -3,-1.1 2,-0.1 -4,-0.8 31,-0.0 -0.527 75.4-116.6 -92.0 158.7 27.6 -2.6 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.272 44.2 -92.3 -79.0 170.4 30.6 -4.9 3.3 93 93 A A H > S+ 0 0 81 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.853 122.4 47.3 -55.7 -45.1 32.9 -4.2 6.3 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.6 2,-0.2 3,-0.5 0.967 112.9 48.3 -63.6 -50.5 35.5 -2.1 4.4 95 95 A R H > S+ 0 0 24 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.879 106.0 59.1 -60.0 -36.0 33.0 0.1 2.7 96 96 A R H X S+ 0 0 80 -4,-2.1 4,-2.6 1,-0.2 -1,-0.3 0.898 101.6 53.8 -58.2 -41.5 31.1 0.6 6.0 97 97 A A H X S+ 0 0 6 -4,-1.5 4,-2.5 -3,-0.5 -1,-0.2 0.911 104.8 56.2 -61.8 -36.1 34.3 2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.909 108.6 46.2 -60.3 -41.3 34.3 4.5 4.4 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.894 110.4 52.9 -68.9 -38.3 30.8 5.7 5.3 100 100 A I H X S+ 0 0 9 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.935 106.4 54.1 -62.0 -43.1 31.7 6.1 8.9 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.941 108.5 48.0 -56.5 -48.9 34.7 8.2 7.9 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.919 112.6 49.4 -60.1 -42.3 32.5 10.6 5.9 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.930 109.0 51.8 -65.6 -38.7 30.0 10.9 8.8 104 104 A F H < S+ 0 0 32 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.908 116.2 41.2 -63.1 -38.6 32.8 11.6 11.3 105 105 A Q H < S+ 0 0 55 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.902 132.0 18.0 -76.6 -44.0 34.1 14.3 9.1 106 106 A M H X S- 0 0 55 -4,-3.0 4,-0.6 -5,-0.2 -3,-0.2 0.498 102.3-110.7-114.5 -0.9 30.9 15.9 7.9 107 107 A G H X - 0 0 33 -4,-2.7 4,-2.0 -5,-0.3 5,-0.2 0.184 34.9 -83.1 83.9 149.1 28.1 14.9 10.2 108 108 A E H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.845 127.6 52.9 -57.7 -40.1 25.2 12.8 9.5 109 109 A T H > S+ 0 0 122 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.929 106.7 51.8 -64.0 -46.6 23.2 15.5 7.9 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.6 1,-0.2 -2,-0.2 0.933 114.2 43.2 -56.7 -49.6 26.0 16.4 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-2.4 1,-0.2 -1,-0.2 0.888 105.2 60.4 -66.5 -41.4 26.3 12.8 4.3 112 112 A A H 3< S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.771 96.0 68.2 -58.4 -21.2 22.6 12.1 4.1 113 113 A G T << S+ 0 0 56 -4,-1.0 2,-1.5 -3,-0.6 3,-0.3 0.596 75.1 83.6 -72.2 -15.2 22.6 15.0 1.6 114 114 A F <> + 0 0 41 -3,-2.4 4,-2.5 1,-0.2 5,-0.3 -0.332 57.6 158.8 -86.8 56.1 24.6 13.0 -1.0 115 115 A T H > + 0 0 90 -2,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.875 66.2 46.0 -45.8 -54.8 21.4 11.4 -2.2 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.910 113.5 47.7 -61.7 -44.2 22.5 10.3 -5.6 117 117 A S H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.906 109.7 54.1 -63.4 -42.2 25.8 8.8 -4.4 118 118 A L H X S+ 0 0 12 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.911 107.9 50.2 -58.5 -42.7 24.1 6.9 -1.6 119 119 A R H X S+ 0 0 126 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.936 111.4 49.1 -62.8 -42.5 21.7 5.4 -4.1 120 120 A M H <>S+ 0 0 30 -4,-2.1 5,-2.1 1,-0.2 4,-0.4 0.905 110.2 49.8 -64.2 -41.6 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.937 109.4 52.3 -64.1 -42.0 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.892 109.6 49.2 -60.7 -35.3 23.3 0.9 -2.4 123 123 A Q T 3<5S- 0 0 88 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.485 112.7-121.3 -81.4 -4.8 23.0 -0.4 -5.8 124 124 A K T < 5 + 0 0 98 -3,-1.6 2,-1.4 -4,-0.4 -3,-0.2 0.753 61.7 147.4 68.5 28.0 26.7 -1.5 -5.8 125 125 A R >< + 0 0 110 -5,-2.1 4,-2.3 1,-0.2 5,-0.2 -0.690 22.2 175.8 -93.4 78.1 27.5 0.7 -8.9 126 126 A W H > + 0 0 52 -2,-1.4 4,-2.1 1,-0.2 5,-0.2 0.920 68.6 42.9 -55.8 -56.4 31.1 1.4 -7.6 127 127 A D H > S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 115.2 51.1 -63.2 -37.4 32.7 3.4 -10.4 128 128 A E H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 109.1 49.5 -66.9 -40.6 29.6 5.4 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.883 108.3 55.0 -64.7 -36.8 29.3 6.3 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.925 108.3 47.6 -63.4 -42.0 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 93 -4,-1.9 4,-0.6 -5,-0.2 3,-0.3 0.952 114.1 46.5 -65.7 -46.8 32.5 9.7 -10.0 132 132 A N H >< S+ 0 0 41 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.926 108.4 56.5 -62.9 -39.1 29.4 11.2 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.3 1,-0.3 -1,-0.2 0.863 101.2 58.7 -60.7 -32.7 31.1 11.5 -5.0 134 134 A A H 3< S+ 0 0 25 -4,-1.5 2,-1.6 -3,-0.3 -1,-0.3 0.673 85.2 79.4 -72.8 -16.8 33.9 13.5 -6.5 135 135 A K S << S+ 0 0 162 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 -0.578 80.7 95.2 -89.0 71.3 31.5 16.3 -7.7 136 136 A S S > S- 0 0 18 -2,-1.6 4,-1.9 1,-0.1 5,-0.2 -0.995 85.8-114.1-155.1 159.1 31.3 17.9 -4.3 137 137 A R H > S+ 0 0 142 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.915 114.3 64.2 -63.4 -39.2 32.7 20.6 -2.3 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.926 105.5 43.5 -47.6 -49.5 34.1 17.9 0.0 139 139 A Y H 4 S+ 0 0 55 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.909 115.0 48.6 -66.5 -41.1 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 110 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.833 115.9 43.7 -70.4 -31.0 37.4 20.0 -3.9 141 141 A Q H < S+ 0 0 107 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.861 131.4 18.2 -82.5 -39.6 38.3 21.2 -0.4 142 142 A T S X S+ 0 0 23 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 -0.576 73.3 160.5-133.0 72.0 40.1 18.0 0.9 143 143 A P H > + 0 0 49 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.833 68.9 54.0 -63.3 -41.6 41.0 16.1 -2.1 144 144 A N H > S+ 0 0 119 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.959 116.9 38.9 -64.4 -42.1 43.7 13.9 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.941 114.5 52.8 -69.6 -47.9 41.4 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 -8,-0.2 5,-0.2 0.918 107.5 53.7 -55.0 -41.5 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 103 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.887 107.2 51.5 -61.3 -38.2 40.4 10.4 -2.8 148 148 A R H X S+ 0 0 54 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.2 0.934 113.5 43.2 -65.4 -43.7 41.3 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.917 114.1 50.7 -66.7 -42.8 37.7 7.5 1.0 150 150 A I H X S+ 0 0 15 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.898 108.9 51.0 -61.3 -42.1 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 38 -4,-2.4 4,-2.8 -5,-0.2 6,-0.4 0.850 107.7 54.8 -63.4 -34.8 39.0 4.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.921 110.0 44.7 -65.0 -45.9 37.9 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.880 116.3 49.2 -65.1 -36.9 34.3 2.8 -1.8 154 154 A R H < S+ 0 0 103 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.924 124.0 24.3 -69.0 -46.6 35.4 1.9 -5.3 155 155 A T H < S- 0 0 45 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.654 84.8-136.1 -97.3 -22.1 37.6 -1.0 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.687 73.1 99.9 71.0 16.3 36.4 -2.4 -1.2 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.785 81.9-117.7-125.1 174.7 40.0 -2.8 -0.0 158 158 A W S >> S+ 0 0 37 -2,-0.3 3,-2.2 1,-0.2 4,-0.9 0.181 71.7 124.1 -96.8 17.4 42.3 -0.7 2.2 159 159 A D G >4 + 0 0 104 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.800 65.9 56.7 -48.9 -39.3 44.7 -0.1 -0.6 160 160 A A G 34 S+ 0 0 27 -3,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.614 111.0 45.2 -71.0 -12.0 44.6 3.7 -0.3 161 161 A Y G <4 S+ 0 0 1 -3,-2.2 2,-0.6 -13,-0.1 3,-0.5 0.547 84.0 100.7-109.2 -10.8 45.7 3.6 3.3 162 162 A K S << S+ 0 0 114 -4,-0.9 0, 0.0 -3,-0.6 0, 0.0 -0.751 87.3 30.9 -82.4 121.3 48.4 1.1 3.0 163 163 A N 0 0 174 -2,-0.6 -1,-0.2 1,-0.4 -2,-0.1 -0.417 360.0 360.0 127.7 -45.2 51.7 3.1 3.1 164 164 A L 0 0 107 -3,-0.5 -1,-0.4 -4,-0.1 -155,-0.1 -0.134 360.0 360.0 -56.3 360.0 50.3 5.9 5.3