==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-08 3CDT . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR B.H.M.MOOERS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 73.8 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 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 65 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 147.4 43.5 -1.8 8.9 2 2 A N > - 0 0 68 95,-0.0 4,-2.6 1,-0.0 3,-0.2 -0.879 360.0 -89.5-142.2 170.8 40.4 -0.7 10.9 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.856 122.9 52.8 -52.3 -39.9 38.3 2.4 11.4 4 4 A F H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 112.0 42.8 -64.8 -44.2 40.6 3.7 14.2 5 5 A E H > S+ 0 0 92 2,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.854 114.2 54.4 -68.6 -34.5 43.8 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.948 112.1 40.5 -64.3 -51.2 42.0 4.9 9.3 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.4 0.814 110.0 59.9 -68.5 -30.0 40.8 8.0 11.0 8 8 A R H X S+ 0 0 100 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.886 107.5 46.6 -65.7 -37.1 44.1 8.4 12.8 9 9 A I H < S+ 0 0 57 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.935 117.4 42.6 -69.3 -45.5 45.8 8.6 9.5 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.828 126.1 30.7 -70.8 -33.2 43.3 11.1 8.1 11 11 A E H < S- 0 0 45 -4,-3.0 19,-0.3 -5,-0.1 -3,-0.2 0.712 89.3-155.6 -98.9 -25.4 43.0 13.3 11.2 12 12 A G < - 0 0 25 -4,-1.9 2,-0.4 -5,-0.4 -1,-0.1 -0.147 26.5 -87.7 72.4-175.2 46.4 13.1 12.8 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.978 42.2 172.3-138.7 123.8 46.8 13.7 16.6 14 14 A R E -A 28 0A 142 14,-1.6 14,-2.3 -2,-0.4 4,-0.1 -1.000 18.0-162.7-132.2 129.1 47.3 17.1 18.3 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.440 74.8 63.9 -91.6 -2.9 47.3 17.6 22.1 16 16 A K E S-C 57 0B 72 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.907 102.3 -86.2-119.2 148.4 46.9 21.4 22.0 17 17 A I E + 0 0 24 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.271 58.2 169.9 -53.4 132.8 43.9 23.2 20.6 18 18 A Y E -A 26 0A 26 8,-3.1 8,-3.4 -4,-0.1 2,-0.4 -0.846 35.0-105.7-138.1 174.5 44.3 23.8 16.8 19 19 A K E -A 25 0A 128 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.883 32.7-139.2-106.5 136.8 42.2 24.9 13.9 20 20 A D > - 0 0 51 4,-2.3 3,-1.6 -2,-0.4 -1,-0.1 -0.046 42.1 -77.7 -80.8-172.1 41.0 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 0.730 135.1 47.7 -61.1 -22.2 40.9 22.8 7.6 22 22 A E T 3 S- 0 0 80 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.423 122.5-105.7 -96.0 -3.0 37.7 25.0 7.9 23 23 A G S < S+ 0 0 31 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.574 72.8 141.5 89.7 13.1 39.3 27.1 10.6 24 24 A Y - 0 0 78 1,-0.1 -4,-2.3 -5,-0.0 -1,-0.3 -0.705 60.2-100.7 -91.7 142.9 37.3 25.6 13.5 25 25 A Y E +AB 19 34A 34 9,-0.5 8,-3.1 11,-0.4 9,-1.3 -0.343 55.4 160.7 -61.9 127.0 38.8 25.0 16.9 26 26 A T E -AB 18 32A 2 -8,-3.4 -8,-3.1 6,-0.3 2,-0.3 -0.889 18.8-169.2-142.6 166.0 39.6 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.4 -2,-0.3 -12,-0.2 -0.973 51.0 5.0-154.6 164.8 41.8 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.6 -2,-0.3 2,-1.0 -0.351 123.9 -5.8 64.3-130.3 43.0 15.4 19.7 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.633 127.8 -54.3-103.7 74.7 42.0 13.2 16.8 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.1 -19,-0.3 -2,-0.2 0.776 82.5 162.6 66.5 30.0 39.8 15.6 14.9 31 31 A H E < -B 27 0A 33 -4,-2.4 -4,-1.6 1,-0.0 -1,-0.2 -0.692 32.5-141.5 -84.4 104.3 37.5 16.3 17.8 32 32 A L E -B 26 0A 80 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.387 20.9-178.0 -62.9 131.9 35.6 19.5 16.8 33 33 A L E - 0 0 15 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.854 58.8 -25.8 -99.2 -44.7 35.2 21.8 19.8 34 34 A T E -B 25 0A 28 -9,-1.3 -9,-0.5 2,-0.1 -1,-0.4 -0.974 34.6-139.9-166.5 156.0 33.2 24.7 18.4 35 35 A K S S+ 0 0 144 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.508 75.0 109.2 -97.8 -9.5 32.5 26.6 15.2 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.373 74.9-131.3 -69.2 144.8 32.6 29.8 17.2 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.468 75.3 106.7 -75.3 -3.3 35.6 32.1 16.5 38 38 A S > - 0 0 52 1,-0.2 4,-1.7 2,-0.0 3,-0.2 -0.709 55.0-161.1 -86.9 118.5 36.2 32.5 20.2 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 0.838 95.8 56.6 -63.2 -32.0 39.3 30.7 21.7 40 40 A N H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 103.3 52.4 -68.1 -36.4 37.8 31.1 25.1 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 110.1 50.4 -63.6 -36.4 34.6 29.3 24.0 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.894 108.4 50.7 -67.0 -41.0 36.8 26.5 22.8 43 43 A K H X S+ 0 0 66 -4,-2.1 4,-2.0 2,-0.2 11,-0.3 0.866 110.9 50.6 -66.0 -33.5 38.6 26.3 26.0 44 44 A S H X S+ 0 0 74 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.952 110.1 47.6 -68.3 -48.8 35.3 26.1 27.8 45 45 A E H X S+ 0 0 65 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.883 110.6 54.1 -58.9 -40.0 34.0 23.3 25.6 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.948 108.0 47.5 -60.8 -49.6 37.2 21.4 26.1 47 47 A D H X>S+ 0 0 37 -4,-2.0 4,-2.5 1,-0.2 5,-1.0 0.878 112.8 50.3 -58.9 -39.2 37.1 21.5 29.9 48 48 A K H <5S+ 0 0 144 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.897 111.6 48.4 -65.7 -41.7 33.4 20.4 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.880 120.5 35.6 -67.0 -38.2 34.4 17.5 27.4 50 50 A I H <5S- 0 0 36 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.769 102.5-123.1 -89.9 -30.8 37.3 16.3 29.5 51 51 A G T <5S+ 0 0 67 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.707 78.4 65.8 95.0 20.1 36.0 17.0 33.0 52 52 A R S - 0 0 10 -2,-0.9 3,-1.3 -11,-0.3 -1,-0.2 0.694 33.9-144.6 -97.1 -24.6 42.8 21.8 30.8 55 55 A N T 3 S- 0 0 120 1,-0.3 -2,-0.1 -12,-0.2 3,-0.1 0.862 74.8 -51.3 55.4 44.0 43.8 25.2 29.7 56 56 A G T 3 S+ 0 0 5 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.464 119.8 92.8 79.2 3.1 43.8 24.1 26.1 57 57 A V B < -C 16 0B 74 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.981 46.0-179.2-134.1 143.7 45.9 21.0 26.4 58 58 A I - 0 0 4 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.827 26.8-106.8-131.1 170.9 45.2 17.3 26.9 59 59 A T > - 0 0 60 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.508 33.1-108.9 -95.3 166.7 47.0 14.1 27.3 60 60 A K H > S+ 0 0 108 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.874 120.8 54.4 -61.4 -37.9 47.2 11.3 24.7 61 61 A D H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.921 109.3 47.7 -63.4 -41.0 45.0 9.1 26.9 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.923 110.4 52.3 -64.9 -43.6 42.4 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -34,-0.4 0.920 110.2 48.2 -59.2 -45.1 42.7 12.3 23.2 64 64 A E H X S+ 0 0 74 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.851 108.7 53.9 -66.5 -31.8 42.1 8.6 22.7 65 65 A K H X S+ 0 0 136 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.946 108.5 47.8 -67.3 -45.2 39.1 8.6 25.0 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.893 111.3 54.5 -59.9 -38.8 37.5 11.4 23.0 67 67 A F H X S+ 0 0 11 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.914 106.7 47.6 -61.9 -46.7 38.3 9.4 19.9 68 68 A N H X S+ 0 0 95 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.933 113.9 49.5 -61.6 -42.3 36.5 6.2 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.919 111.8 48.4 -63.4 -42.3 33.5 8.3 22.1 70 70 A D H X S+ 0 0 35 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.860 111.0 47.9 -68.3 -35.9 33.5 10.0 18.7 71 71 A V H X S+ 0 0 8 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.936 112.6 50.3 -70.3 -42.5 33.7 6.8 16.6 72 72 A D H X S+ 0 0 94 -4,-2.3 4,-3.0 -5,-0.3 5,-0.2 0.934 110.4 49.5 -59.1 -46.1 31.0 5.3 18.7 73 73 A A H X S+ 0 0 55 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.900 109.0 52.0 -60.7 -41.2 28.7 8.3 18.2 74 74 A A H X S+ 0 0 11 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.930 112.3 46.3 -62.4 -44.6 29.3 8.3 14.5 75 75 A V H X S+ 0 0 32 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.956 113.6 47.5 -62.3 -48.7 28.3 4.6 14.3 76 76 A R H X S+ 0 0 136 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.901 110.7 54.0 -59.5 -38.5 25.3 5.1 16.5 77 77 A G H >X S+ 0 0 3 -4,-2.8 4,-1.1 -5,-0.2 3,-0.5 0.931 108.0 48.6 -62.8 -45.2 24.3 8.2 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 7,-0.5 0.948 110.3 52.3 -59.0 -48.1 24.4 6.1 11.2 79 79 A L H 3< S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.682 112.5 44.2 -64.2 -20.5 22.3 3.4 12.7 80 80 A R H << S+ 0 0 171 -4,-1.3 2,-0.6 -3,-0.5 -1,-0.3 0.555 93.1 95.9 -99.3 -11.2 19.6 5.8 13.8 81 81 A N > S+ 0 0 0 -3,-0.2 4,-2.3 -6,-0.2 3,-0.6 0.846 100.1 66.8 -87.3 -40.3 22.1 6.1 6.3 85 85 A K H 3X S+ 0 0 85 -4,-2.8 4,-3.1 -7,-0.5 5,-0.2 0.894 98.0 53.2 -51.4 -46.5 21.2 2.9 8.0 86 86 A P H 3> S+ 0 0 48 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.855 110.9 48.5 -60.9 -31.7 20.1 1.1 4.8 87 87 A V H <> S+ 0 0 0 -3,-0.6 4,-1.2 -4,-0.4 3,-0.2 0.950 112.3 46.8 -71.1 -47.5 23.4 1.9 3.2 88 88 A Y H >< S+ 0 0 56 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.903 110.5 53.3 -59.7 -42.9 25.4 0.7 6.1 89 89 A D H 3< S+ 0 0 95 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.840 110.3 49.9 -63.7 -30.3 23.3 -2.4 6.2 90 90 A S H 3< S+ 0 0 36 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.702 97.6 83.4 -82.4 -19.7 24.0 -3.0 2.6 91 91 A L S << S- 0 0 16 -4,-1.2 2,-0.1 -3,-0.5 31,-0.0 -0.465 75.1-115.1 -89.4 158.4 27.8 -2.6 2.6 92 92 A D > - 0 0 55 -2,-0.1 4,-1.9 1,-0.1 -1,-0.1 -0.328 43.3 -95.6 -78.4 166.9 30.7 -4.9 3.4 93 93 A A H > S+ 0 0 80 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.827 120.2 49.2 -55.6 -40.6 33.0 -4.2 6.4 94 94 A V H >> S+ 0 0 31 1,-0.2 4,-1.0 2,-0.2 3,-1.0 0.953 111.9 47.7 -67.5 -48.6 35.7 -2.3 4.5 95 95 A R H 3> S+ 0 0 25 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.855 104.1 61.5 -62.1 -32.9 33.4 0.0 2.7 96 96 A N H 3X S+ 0 0 12 -4,-1.9 4,-2.5 1,-0.3 -1,-0.3 0.812 96.5 60.8 -65.0 -24.6 31.4 0.8 5.9 97 97 A C H S+ 0 0 53 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.896 130.6 50.8 -58.7 -44.6 25.3 12.7 9.7 109 109 A T H > S+ 0 0 124 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.940 109.1 50.4 -62.3 -50.0 23.4 15.6 8.1 110 110 A G H >< S+ 0 0 33 -4,-0.7 3,-0.8 1,-0.2 4,-0.2 0.955 114.7 43.9 -54.1 -52.8 26.2 16.4 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.5 3,-2.6 1,-0.2 -2,-0.2 0.915 104.3 61.7 -61.8 -43.4 26.5 12.8 4.6 112 112 A A H 3< S+ 0 0 22 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.799 94.8 68.1 -54.5 -23.7 22.7 12.2 4.3 113 113 A G T << S+ 0 0 56 -4,-1.3 2,-1.2 -3,-0.8 3,-0.3 0.650 74.9 82.9 -72.8 -11.5 22.8 15.0 1.7 114 114 A F <> + 0 0 36 -3,-2.6 4,-2.9 -4,-0.2 5,-0.3 -0.248 57.2 154.0 -87.7 49.2 24.8 12.8 -0.8 115 115 A T H > + 0 0 78 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.861 66.5 46.1 -42.7 -54.0 21.5 11.3 -1.9 116 116 A N H > S+ 0 0 93 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.898 114.3 46.8 -62.8 -43.2 22.6 10.3 -5.3 117 117 A S H > S+ 0 0 0 -3,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.903 110.0 55.0 -66.1 -40.8 25.9 8.7 -4.2 118 118 A L H X S+ 0 0 12 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.889 107.3 48.9 -60.8 -41.3 24.2 6.9 -1.4 119 119 A R H X S+ 0 0 107 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.912 110.6 51.2 -67.1 -37.8 21.8 5.3 -3.8 120 120 A M H <>S+ 0 0 29 -4,-1.9 5,-2.4 1,-0.2 4,-0.3 0.909 109.5 50.1 -65.2 -39.1 24.6 4.3 -6.1 121 121 A L H ><5S+ 0 0 2 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.932 108.0 53.0 -62.6 -44.1 26.5 2.7 -3.2 122 122 A Q H 3<5S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.874 110.4 48.4 -58.1 -37.5 23.3 0.8 -2.2 123 123 A Q T 3<5S- 0 0 110 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.463 113.8-122.1 -81.9 -3.2 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 95 -3,-1.7 2,-1.3 -4,-0.3 -3,-0.2 0.796 60.4 148.7 64.9 33.6 26.8 -1.5 -5.7 125 125 A R >< + 0 0 95 -5,-2.4 4,-2.7 1,-0.2 5,-0.2 -0.653 19.8 174.2 -95.4 74.3 27.6 0.7 -8.7 126 126 A W H > + 0 0 53 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.890 69.8 43.6 -53.4 -50.6 31.1 1.4 -7.4 127 127 A D H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 116.0 49.1 -68.2 -35.5 32.7 3.3 -10.3 128 128 A E H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.906 110.8 49.8 -68.8 -39.0 29.5 5.4 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.919 107.4 56.2 -63.8 -42.6 29.3 6.3 -7.1 130 130 A A H X S+ 0 0 5 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.911 108.0 46.4 -57.3 -45.0 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 79 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.915 113.9 48.7 -65.9 -42.0 32.5 9.8 -9.9 132 132 A N H >< S+ 0 0 37 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.897 107.2 54.2 -65.3 -39.3 29.4 11.2 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.3 1,-0.2 -1,-0.2 0.850 103.4 59.1 -63.4 -31.6 31.1 11.5 -4.8 134 134 A A H 3< S+ 0 0 25 -4,-1.4 2,-2.0 -5,-0.2 -1,-0.2 0.708 84.4 79.9 -70.6 -21.8 33.9 13.5 -6.4 135 135 A K S << S+ 0 0 162 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.2 -0.547 81.6 99.4 -85.1 72.5 31.5 16.2 -7.7 136 136 A S S > S- 0 0 19 -2,-2.0 4,-1.9 1,-0.1 5,-0.2 -0.998 84.5-117.7-155.6 158.0 31.4 17.9 -4.3 137 137 A R H > S+ 0 0 148 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.911 114.7 63.3 -62.1 -39.9 32.7 20.7 -2.3 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.922 105.4 42.9 -48.9 -50.8 34.1 18.0 0.0 139 139 A Y H 4 S+ 0 0 65 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.874 115.2 49.5 -66.4 -37.9 36.4 16.7 -2.8 140 140 A N H < S+ 0 0 111 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.783 116.6 40.8 -73.7 -26.2 37.4 20.1 -3.9 141 141 A Q H < S+ 0 0 109 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.850 132.3 20.8 -90.9 -38.2 38.3 21.3 -0.4 142 142 A T S X S+ 0 0 22 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 -0.563 73.2 160.5-129.5 70.8 40.0 18.2 0.9 143 143 A P H > + 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.840 68.3 53.5 -60.7 -39.7 41.0 16.3 -2.2 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.960 115.6 38.6 -66.3 -47.6 43.7 14.0 -0.7 145 145 A R H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.945 114.6 54.4 -67.1 -44.2 41.5 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.924 106.9 52.5 -55.5 -41.6 38.5 12.5 -0.3 147 147 A K H X S+ 0 0 99 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.888 108.8 49.9 -61.1 -38.0 40.5 10.4 -2.8 148 148 A R H X S+ 0 0 54 -4,-1.6 4,-1.8 -3,-0.2 -1,-0.2 0.939 114.9 43.2 -65.7 -45.7 41.4 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.928 114.6 49.3 -66.6 -44.3 37.9 7.5 1.1 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.3 -5,-0.3 -1,-0.2 0.908 109.7 51.7 -63.4 -39.9 36.5 7.4 -2.5 151 151 A T H X S+ 0 0 51 -4,-2.6 4,-2.7 -5,-0.3 6,-0.4 0.875 107.7 54.1 -64.0 -34.3 39.1 4.7 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.942 110.4 44.7 -65.1 -46.7 38.0 2.8 -0.4 153 153 A F H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 115.7 50.0 -63.6 -36.3 34.3 2.8 -1.5 154 154 A R H < S+ 0 0 101 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.919 123.7 23.7 -71.1 -43.7 35.4 2.0 -5.1 155 155 A T H < S- 0 0 58 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.649 85.4-135.7 -98.1 -21.0 37.6 -1.0 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.3 -5,-0.4 -62,-0.2 0.763 73.7 99.8 68.9 22.7 36.4 -2.3 -1.1 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.796 81.4-116.7-130.5 176.1 40.1 -2.7 -0.1 158 158 A W S >> S+ 0 0 32 -2,-0.3 3,-2.2 1,-0.2 4,-1.0 0.148 71.2 121.2 -99.4 15.8 42.6 -0.7 2.0 159 159 A D G >4 + 0 0 109 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.844 68.0 58.4 -50.2 -38.5 45.0 0.1 -0.8 160 160 A A G 34 S+ 0 0 26 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.651 111.0 42.9 -68.4 -13.8 44.7 3.9 -0.4 161 161 A Y G X4 S+ 0 0 4 -3,-2.2 3,-1.1 -13,-0.1 2,-0.3 0.517 89.7 104.6-108.5 -8.3 45.9 3.7 3.2 162 162 A K T << S+ 0 0 115 -4,-1.0 -3,-0.0 -3,-0.6 0, 0.0 -0.582 84.2 22.0 -77.5 133.7 48.6 1.2 2.6 163 163 A N T 3 0 0 173 -2,-0.3 -1,-0.2 0, 0.0 -4,-0.0 0.642 360.0 360.0 84.0 21.0 52.1 2.7 2.6 164 164 A L < 0 0 136 -3,-1.1 -2,-0.1 0, 0.0 -3,-0.1 0.861 360.0 360.0-103.1 360.0 51.0 5.8 4.7