==== 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 25-JUN-97 227L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR E.P.BALDWIN,W.A.BAASE,X.-J.ZHANG,V.FEHER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 12 7.4 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 . 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.1 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 151.5 43.5 -1.8 9.1 2 2 A N > - 0 0 69 156,-0.0 4,-2.8 1,-0.0 5,-0.2 -0.930 360.0 -84.5-153.6 172.4 40.3 -0.7 10.9 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.839 124.5 50.0 -48.8 -43.1 38.0 2.3 11.5 4 4 A F H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.938 113.6 42.5 -67.3 -49.3 40.2 3.7 14.3 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.862 114.3 55.0 -64.8 -34.9 43.5 3.4 12.4 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 3,-0.3 0.976 112.1 39.2 -63.3 -55.4 41.8 4.8 9.3 7 7 A L H X S+ 0 0 5 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.839 111.0 60.1 -65.8 -29.8 40.5 8.0 11.0 8 8 A R H X S+ 0 0 104 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.878 107.3 46.2 -65.5 -31.2 43.7 8.4 12.9 9 9 A I H < S+ 0 0 88 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.905 116.6 44.8 -75.7 -40.7 45.6 8.6 9.7 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.832 124.5 30.2 -72.9 -33.7 43.1 11.0 8.2 11 11 A E H < S- 0 0 49 -4,-2.8 19,-0.3 -5,-0.2 -1,-0.2 0.645 92.4-151.3-101.2 -20.1 42.7 13.3 11.2 12 12 A G < - 0 0 25 -4,-1.4 2,-0.4 -5,-0.4 -1,-0.1 -0.135 25.7 -85.3 71.8-177.0 46.1 13.1 12.8 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.983 44.1 172.7-134.0 123.1 46.6 13.6 16.6 14 14 A R E -A 28 0A 123 14,-1.7 14,-2.6 -2,-0.4 4,-0.1 -0.999 18.2-165.5-135.3 128.2 47.0 17.0 18.3 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.375 72.5 62.0 -94.9 -0.2 47.1 17.6 22.0 16 16 A K E S-C 57 0B 82 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.935 101.1 -84.9-123.4 150.6 46.6 21.4 21.9 17 17 A I E + 0 0 23 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.202 59.7 168.3 -49.7 140.4 43.6 23.3 20.6 18 18 A Y E -A 26 0A 24 8,-2.8 8,-3.8 -4,-0.1 2,-0.5 -0.955 36.1-103.7-149.4 169.7 44.0 23.8 16.9 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.847 32.7-141.4-100.3 134.4 42.0 25.0 13.8 20 20 A D > - 0 0 52 4,-2.9 3,-1.6 -2,-0.5 -1,-0.1 -0.038 42.4 -77.8 -78.2-169.9 40.8 22.4 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.677 134.9 48.6 -62.7 -22.0 40.7 22.8 7.6 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.395 123.5-104.5 -97.6 -1.9 37.5 25.0 7.9 23 23 A G S < S+ 0 0 36 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.593 74.1 141.4 89.7 15.0 39.1 27.1 10.6 24 24 A Y - 0 0 78 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.771 59.7-101.7 -97.4 143.3 37.2 25.6 13.5 25 25 A Y E +AB 19 34A 35 9,-0.6 8,-3.3 11,-0.4 9,-1.3 -0.348 55.0 160.3 -61.8 120.8 38.6 24.9 16.9 26 26 A T E -AB 18 32A 2 -8,-3.8 -8,-2.8 6,-0.2 2,-0.3 -0.857 18.7-168.8-136.3 171.7 39.4 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.4 4,-1.9 -2,-0.3 2,-0.2 -0.990 50.1 2.4-158.4 163.6 41.5 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.7 -2,-0.3 2,-0.8 -0.449 122.5 -5.1 66.7-129.5 42.8 15.4 19.6 29 29 A I T 4 S- 0 0 9 34,-0.3 -1,-0.2 -2,-0.2 -17,-0.1 -0.623 127.4 -54.0-101.3 69.7 41.8 13.2 16.8 30 30 A G T 4 S+ 0 0 23 -2,-0.8 2,-1.0 -19,-0.3 -2,-0.2 0.726 83.7 160.1 72.5 21.0 39.5 15.4 14.8 31 31 A H E < -B 27 0A 33 -4,-1.9 -4,-1.4 1,-0.0 -1,-0.2 -0.659 34.9-139.9 -84.2 103.8 37.2 16.3 17.7 32 32 A L E -B 26 0A 76 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.337 19.2-175.0 -59.1 128.5 35.3 19.5 16.8 33 33 A L E - 0 0 14 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.869 58.9 -36.1 -92.4 -47.7 35.0 21.8 19.8 34 34 A T E -B 25 0A 28 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.982 35.0-129.9-167.4 160.5 32.9 24.5 18.4 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.493 74.4 114.0 -96.0 -2.9 32.2 26.6 15.3 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.382 71.9-132.6 -69.6 148.5 32.4 29.8 17.2 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.414 77.0 104.8 -78.7 -1.0 35.3 32.1 16.4 38 38 A S > - 0 0 45 1,-0.1 4,-1.5 -13,-0.0 5,-0.1 -0.804 55.9-161.3 -94.1 117.1 36.0 32.4 20.2 39 39 A L H > S+ 0 0 68 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.836 96.7 52.6 -60.9 -38.7 39.0 30.7 21.8 40 40 A N H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.931 105.1 53.8 -65.1 -41.7 37.5 31.0 25.2 41 41 A A H > S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 110.9 48.3 -56.7 -36.8 34.4 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.883 110.0 50.2 -71.6 -40.6 36.5 26.5 22.7 43 43 A K H X S+ 0 0 65 -4,-2.6 4,-2.2 2,-0.2 11,-0.3 0.871 109.9 51.6 -67.4 -34.4 38.4 26.2 26.0 44 44 A S H X S+ 0 0 70 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.929 110.8 47.6 -67.3 -43.7 35.1 26.1 27.9 45 45 A E H X S+ 0 0 67 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.901 111.0 52.7 -63.6 -40.8 33.8 23.3 25.6 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.959 109.3 47.0 -60.4 -49.1 37.0 21.4 26.0 47 47 A D H X>S+ 0 0 34 -4,-2.2 4,-2.5 1,-0.2 5,-1.1 0.880 112.0 51.7 -60.3 -39.7 36.9 21.5 29.8 48 48 A K H <5S+ 0 0 141 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.875 112.2 46.4 -65.2 -37.9 33.3 20.5 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.849 121.4 35.8 -73.5 -34.0 34.2 17.5 27.5 50 50 A I H <5S- 0 0 36 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.704 102.9-126.0 -90.9 -32.7 37.2 16.4 29.5 51 51 A G T <5S+ 0 0 65 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.820 75.6 66.5 88.7 33.4 35.9 17.1 33.0 52 52 A R S - 0 0 6 -2,-1.0 3,-1.1 -11,-0.3 -1,-0.2 0.658 31.8-140.0 -87.8 -25.0 42.5 21.8 30.9 55 55 A N T 3 S- 0 0 127 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.866 71.7 -59.6 65.4 30.1 44.0 25.0 30.0 56 56 A G T 3 S+ 0 0 8 -13,-0.2 -39,-1.8 1,-0.2 2,-0.4 0.557 118.4 96.7 74.5 11.3 43.6 24.1 26.2 57 57 A V B < -C 16 0B 72 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.990 47.4-178.5-135.2 143.0 45.8 21.0 26.5 58 58 A I - 0 0 4 -43,-2.0 2,-0.2 -2,-0.4 -30,-0.1 -0.863 25.1-111.6-133.2 166.8 45.0 17.3 26.9 59 59 A T > - 0 0 67 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.512 33.6-105.9 -94.8 175.1 46.9 14.1 27.3 60 60 A K H > S+ 0 0 106 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.890 120.6 53.6 -61.0 -46.4 47.0 11.3 24.8 61 61 A D H > S+ 0 0 121 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.863 109.2 49.5 -59.5 -38.1 44.8 9.1 26.9 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.918 109.9 51.0 -71.1 -38.4 42.2 11.9 27.0 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -34,-0.3 0.949 111.0 49.6 -59.7 -47.7 42.4 12.4 23.2 64 64 A E H X S+ 0 0 73 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.840 107.3 53.3 -61.9 -34.1 41.8 8.7 22.8 65 65 A K H X S+ 0 0 128 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.924 109.6 48.2 -68.5 -40.2 38.9 8.7 25.1 66 66 A L H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.906 110.3 54.1 -63.4 -38.0 37.2 11.4 23.0 67 67 A F H X S+ 0 0 18 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.926 106.4 50.1 -63.6 -46.3 38.0 9.4 19.9 68 68 A N H X S+ 0 0 94 -4,-2.6 4,-1.9 1,-0.2 5,-0.3 0.917 111.7 48.7 -59.4 -42.7 36.3 6.3 21.3 69 69 A Q H X S+ 0 0 91 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.923 110.6 51.4 -64.6 -40.1 33.2 8.3 22.1 70 70 A D H X S+ 0 0 54 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.882 109.9 47.2 -66.2 -37.0 33.2 9.9 18.7 71 71 A V H X S+ 0 0 9 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.976 113.2 49.0 -68.7 -49.5 33.4 6.7 16.7 72 72 A D H X S+ 0 0 102 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.937 113.0 47.3 -52.0 -49.4 30.7 5.1 18.8 73 73 A A H X S+ 0 0 60 -4,-2.4 4,-3.1 -5,-0.3 -1,-0.2 0.907 110.0 52.5 -62.7 -41.5 28.4 8.1 18.4 74 74 A A H X S+ 0 0 16 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.963 112.1 45.9 -59.5 -48.9 29.1 8.2 14.6 75 75 A V H X S+ 0 0 32 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.931 114.0 48.6 -59.3 -44.9 28.1 4.6 14.2 76 76 A R H X S+ 0 0 133 -4,-2.8 4,-1.2 -5,-0.3 -1,-0.2 0.892 109.5 52.1 -66.3 -37.1 25.1 5.0 16.4 77 77 A G H X S+ 0 0 3 -4,-3.1 4,-0.7 -5,-0.2 3,-0.4 0.915 107.6 52.9 -63.4 -41.2 24.0 8.1 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.1 -5,-0.2 7,-0.4 0.949 108.6 49.4 -56.3 -48.0 24.2 6.2 11.3 79 79 A L H 3< S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.690 111.3 48.8 -68.8 -21.4 22.0 3.4 12.6 80 80 A R H 3< S+ 0 0 183 -4,-1.2 2,-0.6 -3,-0.4 -1,-0.3 0.439 92.6 96.9 -93.7 -6.9 19.4 5.8 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.8 -7,-0.2 3,-0.3 0.830 100.8 69.3 -90.1 -37.1 21.9 6.2 6.1 85 85 A K H X S+ 0 0 79 -4,-3.0 4,-3.0 -7,-0.4 5,-0.2 0.919 98.1 50.4 -47.6 -51.9 21.0 2.9 7.8 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.891 112.8 46.9 -59.8 -36.0 19.9 1.1 4.7 87 87 A V H > S+ 0 0 1 -4,-0.4 4,-1.0 -3,-0.3 3,-0.5 0.970 112.8 49.0 -67.9 -51.1 23.1 2.0 2.9 88 88 A Y H >< S+ 0 0 32 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.895 110.1 51.5 -53.0 -48.5 25.2 1.0 5.8 89 89 A D H 3< S+ 0 0 79 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.813 107.5 54.1 -61.4 -31.7 23.4 -2.3 6.2 90 90 A S H 3< S+ 0 0 40 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.680 95.5 89.4 -79.8 -15.1 23.9 -3.1 2.5 91 91 A L S << S- 0 0 6 -4,-1.0 31,-0.0 -3,-0.9 2,-0.0 -0.483 75.7-116.6 -87.6 157.9 27.7 -2.6 2.6 92 92 A D > - 0 0 56 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.228 44.3 -94.1 -77.5 167.8 30.6 -4.9 3.3 93 93 A A H > S+ 0 0 80 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.877 121.4 47.4 -58.5 -39.9 32.8 -4.2 6.3 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.957 113.1 47.2 -68.9 -46.7 35.5 -2.2 4.5 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.877 104.9 61.4 -64.4 -32.4 33.1 0.0 2.8 96 96 A R H X S+ 0 0 78 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.912 101.1 54.3 -58.0 -40.4 31.1 0.6 6.0 97 97 A A H X S+ 0 0 7 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.3 0.867 102.9 56.4 -63.2 -34.0 34.3 2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.878 107.1 49.6 -64.4 -34.0 34.4 4.5 4.5 99 99 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.898 109.0 50.6 -69.8 -39.3 30.9 5.6 5.4 100 100 A I H X S+ 0 0 8 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.901 107.9 55.2 -63.3 -40.1 31.8 6.2 9.0 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.975 108.1 47.4 -58.5 -51.4 34.8 8.3 7.8 102 102 A M H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.919 113.8 48.3 -57.2 -44.4 32.6 10.5 5.8 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.887 108.9 52.7 -63.8 -39.5 30.2 10.9 8.8 104 104 A A H < S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 116.4 41.3 -63.8 -35.4 33.0 11.6 11.2 105 105 A Q H < S+ 0 0 54 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.886 132.8 14.8 -79.6 -43.2 34.2 14.4 8.9 106 106 A M H X S- 0 0 52 -4,-2.5 4,-0.7 -5,-0.2 -3,-0.2 0.395 102.0-116.9-116.9 3.9 31.0 16.1 7.8 107 107 A G H X - 0 0 33 -4,-2.0 4,-2.4 -5,-0.3 5,-0.2 0.141 36.2 -75.0 75.8 163.3 28.3 14.9 10.1 108 108 A E H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.840 129.7 52.5 -59.2 -43.9 25.2 12.8 9.4 109 109 A T H > S+ 0 0 126 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.964 109.0 49.9 -61.5 -49.5 23.3 15.7 7.9 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-1.5 1,-0.2 -2,-0.2 0.946 115.8 41.1 -54.5 -58.3 26.1 16.4 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.8 1,-0.3 -1,-0.2 0.913 106.4 62.2 -59.4 -45.0 26.5 12.7 4.3 112 112 A A H 3< S+ 0 0 22 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.678 95.1 66.4 -55.6 -14.5 22.8 12.2 4.2 113 113 A G T << S+ 0 0 56 -3,-1.5 2,-1.0 -4,-0.6 3,-0.3 0.570 75.6 83.6 -85.0 -9.5 22.8 15.0 1.5 114 114 A F <> + 0 0 39 -3,-2.8 4,-2.7 1,-0.2 3,-0.3 -0.265 57.5 155.3 -87.1 49.4 24.8 12.8 -1.0 115 115 A T H > + 0 0 70 -2,-1.0 4,-2.3 1,-0.3 -1,-0.2 0.865 66.2 46.9 -41.1 -57.6 21.4 11.2 -2.1 116 116 A N H > S+ 0 0 81 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.912 114.1 46.4 -59.7 -43.2 22.5 10.2 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.908 109.3 56.8 -66.5 -37.7 25.8 8.7 -4.4 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.937 106.7 48.6 -58.6 -46.5 24.0 6.9 -1.6 119 119 A R H X S+ 0 0 125 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.915 110.8 50.4 -63.7 -37.7 21.7 5.3 -4.1 120 120 A M H <>S+ 0 0 41 -4,-2.0 5,-2.2 2,-0.2 4,-0.4 0.898 110.4 50.0 -67.2 -36.6 24.6 4.2 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.954 109.0 51.1 -65.7 -45.9 26.4 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 93 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.886 109.3 51.4 -57.7 -34.3 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 103 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.505 112.1-121.2 -80.9 -3.3 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 97 -3,-2.0 2,-1.6 -4,-0.4 -3,-0.2 0.770 61.9 148.2 67.5 27.0 26.8 -1.6 -5.8 125 125 A R >< + 0 0 110 -5,-2.2 4,-2.3 1,-0.2 5,-0.2 -0.647 20.7 175.0 -90.3 76.5 27.6 0.6 -8.8 126 126 A W H > + 0 0 49 -2,-1.6 4,-1.9 1,-0.2 5,-0.2 0.903 68.8 42.3 -54.5 -53.0 31.1 1.2 -7.6 127 127 A D H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.912 114.9 50.0 -67.0 -38.7 32.6 3.2 -10.4 128 128 A E H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.890 109.7 50.8 -69.1 -33.9 29.6 5.3 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.3 4,-3.3 2,-0.2 -1,-0.2 0.889 107.6 53.1 -69.1 -36.5 29.4 6.2 -7.3 130 130 A A H X S+ 0 0 12 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.883 109.6 49.6 -67.2 -34.3 33.1 7.2 -7.1 131 131 A V H X S+ 0 0 87 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.948 114.6 43.6 -69.6 -44.5 32.5 9.5 -10.0 132 132 A N H >< S+ 0 0 42 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.888 109.2 57.1 -65.8 -38.5 29.5 11.1 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-3.3 6,-0.3 1,-0.2 -1,-0.2 0.891 101.0 59.6 -59.8 -36.0 31.1 11.3 -5.0 134 134 A A H 3< S+ 0 0 26 -4,-1.4 2,-1.8 1,-0.2 -1,-0.2 0.689 85.1 79.8 -68.1 -18.7 33.9 13.4 -6.6 135 135 A K S << S+ 0 0 149 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.523 80.3 96.2 -88.2 72.6 31.5 16.1 -7.8 136 136 A S S > S- 0 0 19 -2,-1.8 4,-1.9 1,-0.1 5,-0.1 -0.999 84.6-114.0-157.8 156.8 31.3 17.8 -4.5 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.914 115.7 62.1 -56.4 -44.1 32.6 20.6 -2.3 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.929 106.5 42.8 -47.6 -50.3 34.0 17.9 -0.1 139 139 A Y H 4 S+ 0 0 61 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.875 114.5 50.5 -69.5 -36.0 36.2 16.6 -2.8 140 140 A N H < S+ 0 0 114 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.847 115.9 41.5 -70.5 -32.3 37.2 20.1 -3.9 141 141 A Q H < S+ 0 0 102 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.820 131.8 19.7 -83.9 -38.3 38.2 21.2 -0.4 142 142 A T S X S+ 0 0 20 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 -0.533 71.9 160.9-131.8 69.1 40.0 18.1 0.8 143 143 A P H > S+ 0 0 48 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.797 70.4 53.6 -59.9 -39.1 40.9 16.2 -2.3 144 144 A N H > S+ 0 0 108 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.956 115.8 37.9 -67.6 -44.6 43.6 14.0 -0.8 145 145 A R H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.936 115.0 54.8 -69.4 -44.8 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -8,-0.2 -1,-0.2 0.902 107.1 51.8 -55.5 -40.9 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 96 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.876 107.6 52.0 -63.1 -39.2 40.4 10.3 -2.8 148 148 A R H X S+ 0 0 70 -4,-1.4 4,-1.5 -3,-0.2 12,-0.2 0.948 113.6 43.2 -62.9 -45.9 41.4 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.915 114.3 50.6 -63.4 -44.6 37.7 7.4 1.0 150 150 A I H X S+ 0 0 12 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.896 108.7 51.5 -60.0 -43.7 36.5 7.2 -2.6 151 151 A T H X S+ 0 0 34 -4,-2.6 4,-2.6 1,-0.2 6,-0.3 0.858 107.1 54.2 -61.9 -37.0 39.0 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.928 110.4 45.9 -63.5 -45.0 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.912 115.3 48.7 -64.7 -40.4 34.3 2.7 -1.8 154 154 A R H < S+ 0 0 101 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.898 125.7 22.4 -64.1 -49.3 35.4 1.8 -5.3 155 155 A T H < S- 0 0 48 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.641 86.6-136.5 -97.5 -20.4 37.6 -1.1 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.782 71.8 102.6 67.9 25.3 36.3 -2.3 -1.2 157 157 A T S S- 0 0 47 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.860 79.7-119.0-129.9 172.5 40.0 -2.7 -0.0 158 158 A W S >> S+ 0 0 38 -2,-0.3 3,-2.5 1,-0.2 4,-0.5 0.157 71.9 122.4 -96.8 13.8 42.4 -0.6 2.2 159 159 A D G >4 + 0 0 103 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.788 66.5 58.6 -47.0 -35.7 44.8 -0.1 -0.5 160 160 A A G 34 S+ 0 0 33 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.666 106.5 49.8 -71.9 -16.7 44.6 3.7 -0.3 161 161 A Y G <4 0 0 20 -3,-2.5 -1,-0.3 -13,-0.1 -2,-0.2 0.420 360.0 360.0-101.6 -0.9 45.7 3.6 3.3 162 162 A K << 0 0 179 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.864 360.0 360.0-100.2 360.0 48.7 1.4 2.7