==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-FEB-08 3C7Z . 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) . 8659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 73.2 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 7.3 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 . 13 7.9 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 82 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 152.6 43.6 -1.9 9.1 2 2 A N > - 0 0 66 95,-0.0 4,-2.6 1,-0.0 3,-0.2 -0.906 360.0 -80.9-150.8 176.4 40.4 -0.7 10.8 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.820 124.2 50.7 -54.2 -36.2 38.3 2.4 11.4 4 4 A F H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 112.6 44.2 -70.7 -42.5 40.6 3.8 14.1 5 5 A E H > S+ 0 0 99 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.887 113.7 53.7 -68.3 -37.7 43.8 3.4 12.2 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 3,-0.2 0.960 113.0 39.9 -60.4 -54.5 42.1 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.813 109.8 60.6 -68.9 -28.2 40.8 8.0 10.9 8 8 A R H X S+ 0 0 99 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.899 107.7 45.6 -65.6 -35.9 44.1 8.4 12.7 9 9 A I H < S+ 0 0 53 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.930 117.5 43.5 -70.1 -44.1 45.8 8.6 9.4 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.809 126.1 29.6 -71.4 -33.1 43.2 11.1 8.0 11 11 A E H < S- 0 0 45 -4,-2.9 19,-0.4 -5,-0.1 -3,-0.2 0.667 89.7-156.5-100.3 -26.3 42.9 13.3 11.1 12 12 A G < - 0 0 24 -4,-1.9 2,-0.4 -5,-0.4 -1,-0.1 -0.170 25.8 -86.0 72.2-171.5 46.4 13.1 12.7 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.974 42.3 169.9-141.5 124.5 46.9 13.8 16.5 14 14 A R E -A 28 0A 141 14,-1.4 14,-2.2 -2,-0.4 4,-0.1 -1.000 20.2-160.8-136.2 130.9 47.5 17.1 18.2 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.469 74.6 65.5 -91.0 -2.4 47.4 17.6 21.9 16 16 A K E S-C 57 0B 70 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.891 100.6 -86.9-119.8 150.4 46.9 21.4 21.8 17 17 A I E + 0 0 26 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.263 58.5 170.0 -52.2 132.8 43.9 23.3 20.5 18 18 A Y E -A 26 0A 25 8,-3.0 8,-2.9 -4,-0.1 2,-0.5 -0.885 36.3-105.9-140.1 169.9 44.3 23.8 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.877 33.7-141.2-101.2 133.4 42.2 25.1 13.7 20 20 A D > - 0 0 51 4,-2.2 3,-2.0 -2,-0.5 -1,-0.0 -0.073 42.6 -76.9 -79.2-172.5 41.1 22.4 11.3 21 21 A T T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.717 135.5 49.0 -61.3 -21.9 40.9 22.8 7.5 22 22 A E T 3 S- 0 0 95 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.401 122.5-106.1 -97.0 0.2 37.8 25.0 7.8 23 23 A G S < S+ 0 0 32 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.570 72.4 141.6 87.1 13.1 39.4 27.1 10.5 24 24 A Y - 0 0 67 1,-0.1 -4,-2.2 9,-0.0 -1,-0.3 -0.671 60.3 -99.2 -92.4 145.5 37.4 25.7 13.5 25 25 A Y E +AB 19 34A 33 9,-0.7 8,-3.2 11,-0.4 9,-1.4 -0.356 57.0 158.0 -63.3 128.0 38.8 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-3.0 6,-0.3 2,-0.3 -0.920 19.4-169.7-145.9 164.6 39.6 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.2 -2,-0.3 -12,-0.2 -0.985 50.0 4.7-154.6 166.1 41.8 19.0 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.4 -2,-0.3 2,-1.0 -0.378 122.8 -5.5 65.2-131.2 43.1 15.5 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.658 127.9 -53.5-102.2 76.1 42.1 13.3 16.7 30 30 A G T 4 S+ 0 0 16 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.766 83.5 160.6 66.5 28.3 39.8 15.5 14.8 31 31 A H E < -B 27 0A 33 -4,-2.2 -4,-1.9 1,-0.0 -1,-0.2 -0.714 33.0-143.6 -85.8 103.8 37.6 16.3 17.7 32 32 A L E -B 26 0A 69 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.454 19.0-176.8 -66.0 127.6 35.7 19.5 16.8 33 33 A L E - 0 0 13 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.882 59.0 -26.4 -92.9 -45.4 35.3 21.8 19.8 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.977 33.9-137.7-166.9 154.5 33.3 24.6 18.4 35 35 A K S S+ 0 0 142 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.498 75.1 111.6 -93.6 -6.2 32.5 26.5 15.2 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.399 72.7-132.3 -70.6 145.4 32.7 29.7 17.2 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.519 76.5 102.1 -74.6 -6.5 35.6 32.1 16.6 38 38 A S > - 0 0 54 1,-0.2 4,-2.2 -13,-0.0 3,-0.3 -0.712 57.5-159.2 -88.1 118.7 36.4 32.5 20.3 39 39 A L H > S+ 0 0 62 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.799 97.0 57.3 -60.6 -27.0 39.4 30.6 21.6 40 40 A N H > S+ 0 0 112 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.897 102.6 50.7 -73.8 -36.5 37.8 31.0 25.0 41 41 A A H > S+ 0 0 33 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.917 112.0 50.6 -63.3 -39.5 34.6 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.912 108.4 50.0 -64.2 -43.6 36.8 26.6 22.6 43 43 A K H X S+ 0 0 56 -4,-2.4 4,-2.2 1,-0.2 11,-0.2 0.907 110.7 51.1 -63.2 -37.4 38.7 26.3 25.9 44 44 A S H X S+ 0 0 69 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.939 109.6 49.1 -64.2 -46.2 35.4 26.2 27.7 45 45 A E H X S+ 0 0 65 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.900 109.9 53.0 -61.1 -41.4 34.1 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.936 108.9 47.2 -59.4 -50.1 37.3 21.4 26.0 47 47 A D H X>S+ 0 0 35 -4,-2.2 4,-3.0 1,-0.2 5,-1.1 0.905 112.8 50.1 -59.3 -41.2 37.2 21.5 29.8 48 48 A K H <5S+ 0 0 143 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 112.9 47.2 -64.8 -36.7 33.5 20.5 29.7 49 49 A A H <5S+ 0 0 42 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.881 120.7 36.6 -72.4 -39.2 34.4 17.6 27.3 50 50 A I H <5S- 0 0 36 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.798 102.6-126.2 -85.8 -31.8 37.3 16.4 29.4 51 51 A G T <5S+ 0 0 68 -4,-3.0 2,-0.3 1,-0.3 -3,-0.2 0.736 77.9 67.0 90.4 26.1 36.0 17.1 32.8 52 52 A R S - 0 0 9 -2,-0.9 3,-1.3 -11,-0.2 -1,-0.2 0.679 33.1-146.0 -94.6 -26.0 42.8 21.8 30.6 55 55 A N T 3 S- 0 0 124 1,-0.3 3,-0.1 -12,-0.1 -12,-0.1 0.549 75.9 -49.4 62.9 16.2 43.8 25.3 29.7 56 56 A G T 3 S+ 0 0 6 1,-0.3 -39,-1.8 -13,-0.2 2,-0.4 0.445 120.5 89.5 107.3 3.7 43.8 24.2 26.1 57 57 A V B < -C 16 0B 73 -3,-1.3 -1,-0.3 -41,-0.2 2,-0.2 -0.989 46.0-179.0-138.1 145.0 45.9 21.1 26.3 58 58 A I - 0 0 4 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.781 27.0-103.1-130.8 174.4 45.2 17.4 26.9 59 59 A T > - 0 0 64 -2,-0.2 4,-3.1 1,-0.1 5,-0.2 -0.588 32.6-110.0 -96.9 163.4 47.0 14.1 27.1 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.880 121.0 52.3 -57.0 -40.9 47.3 11.3 24.6 61 61 A D H > S+ 0 0 126 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 109.8 47.9 -64.8 -38.4 45.1 9.2 26.7 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.943 110.9 52.4 -66.3 -43.5 42.5 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -34,-0.4 0.908 110.3 47.8 -57.3 -45.1 42.8 12.3 23.1 64 64 A E H X S+ 0 0 71 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.854 108.6 54.2 -67.2 -31.6 42.2 8.6 22.6 65 65 A K H X S+ 0 0 137 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.941 109.2 47.3 -66.9 -44.5 39.2 8.6 24.9 66 66 A L H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.913 111.8 52.6 -60.6 -42.9 37.6 11.4 22.9 67 67 A F H X S+ 0 0 13 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.924 108.2 49.0 -59.7 -48.1 38.4 9.5 19.8 68 68 A N H X S+ 0 0 90 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.926 112.6 48.5 -59.2 -44.1 36.7 6.3 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.906 112.1 49.9 -60.6 -43.6 33.6 8.3 22.1 70 70 A D H X S+ 0 0 35 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.886 110.7 46.6 -64.1 -43.5 33.5 10.0 18.7 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.944 113.0 50.7 -66.7 -44.3 33.8 6.8 16.6 72 72 A D H X S+ 0 0 105 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.929 111.0 48.9 -58.4 -44.0 31.1 5.1 18.8 73 73 A A H X S+ 0 0 58 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.898 109.5 51.9 -61.8 -43.0 28.8 8.1 18.4 74 74 A A H X S+ 0 0 13 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.933 111.6 46.1 -60.7 -47.6 29.3 8.2 14.6 75 75 A V H X S+ 0 0 32 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 114.9 46.6 -62.0 -44.1 28.4 4.5 14.2 76 76 A R H X S+ 0 0 55 -4,-2.5 4,-0.9 -5,-0.3 -1,-0.2 0.911 111.3 52.6 -68.1 -35.0 25.4 4.8 16.5 77 77 A G H >X S+ 0 0 2 -4,-2.8 4,-1.2 -5,-0.2 3,-1.0 0.941 109.1 49.0 -63.7 -46.7 24.3 7.9 14.7 78 78 A I H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 7,-0.3 0.940 108.8 55.0 -55.9 -47.0 24.5 6.1 11.3 79 79 A L H 3< S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.646 112.3 41.4 -65.0 -16.8 22.5 3.2 12.8 80 80 A R H << S+ 0 0 184 -3,-1.0 2,-0.5 -4,-0.9 -1,-0.3 0.491 91.4 102.6-103.3 -12.4 19.7 5.5 13.9 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.1 5,-0.3 0.835 99.4 69.9 -88.9 -34.9 22.1 6.1 6.4 85 85 A K H X S+ 0 0 94 -4,-2.7 4,-2.8 -7,-0.3 5,-0.2 0.904 98.2 49.2 -50.7 -51.6 21.1 2.9 8.0 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.882 113.3 47.9 -60.2 -37.7 20.0 1.1 4.9 87 87 A V H >> S+ 0 0 2 -4,-0.5 4,-0.9 -3,-0.2 3,-0.8 0.969 112.7 46.3 -66.8 -52.7 23.1 2.0 3.0 88 88 A Y H >< S+ 0 0 35 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.915 110.7 54.7 -54.2 -46.9 25.5 1.0 5.8 89 89 A A H 3< S+ 0 0 62 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.779 106.0 52.9 -61.3 -26.6 23.6 -2.3 6.2 90 90 A S H << S+ 0 0 41 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.650 96.6 86.2 -84.9 -13.5 24.0 -3.1 2.5 91 91 A L S << S- 0 0 10 -3,-1.1 31,-0.0 -4,-0.9 2,-0.0 -0.510 76.3-115.2 -89.7 158.8 27.8 -2.6 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-1.6 1,-0.1 -1,-0.1 -0.220 44.1 -91.1 -77.8 174.1 30.7 -5.0 3.3 93 93 A A H > S+ 0 0 74 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.799 122.2 49.3 -61.6 -35.7 33.0 -4.4 6.3 94 94 A V H >> S+ 0 0 29 1,-0.2 3,-1.0 2,-0.2 4,-0.9 0.955 111.9 47.6 -70.3 -47.3 35.7 -2.3 4.4 95 95 A R H 3> S+ 0 0 25 1,-0.3 4,-1.8 2,-0.2 3,-0.2 0.793 99.7 67.7 -65.2 -26.2 33.2 0.0 2.8 96 96 A H H 3X S+ 0 0 39 -4,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.912 98.8 54.9 -56.0 -41.1 31.4 0.5 6.2 97 97 A C H S+ 0 0 48 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.882 127.9 57.2 -65.0 -34.3 25.4 12.7 9.5 109 109 A T H > S+ 0 0 123 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.955 109.2 45.7 -60.1 -49.6 23.4 15.5 8.3 110 110 A G H >< S+ 0 0 32 -4,-0.7 3,-1.0 1,-0.2 4,-0.2 0.925 115.3 45.8 -59.9 -48.0 26.0 16.4 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.6 1,-0.3 -1,-0.2 0.922 103.8 62.3 -64.4 -41.0 26.5 12.8 4.5 112 112 A A H 3< S+ 0 0 21 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.734 95.6 65.9 -56.7 -18.5 22.7 12.2 4.4 113 113 A G T << S+ 0 0 57 -3,-1.0 2,-1.1 -4,-0.7 3,-0.3 0.591 75.2 83.8 -79.5 -12.9 22.8 15.0 1.7 114 114 A F <> + 0 0 41 -3,-2.6 4,-2.9 -4,-0.2 3,-0.3 -0.235 57.6 155.6 -85.0 48.3 24.8 12.9 -0.8 115 115 A T H > + 0 0 81 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.825 66.0 45.0 -41.0 -55.2 21.5 11.3 -1.9 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.909 114.3 48.4 -63.8 -42.3 22.5 10.3 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.901 109.3 55.1 -63.6 -42.1 25.8 8.9 -4.2 118 118 A L H X S+ 0 0 13 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.907 106.9 48.5 -59.7 -42.2 24.1 7.0 -1.5 119 119 A R H X S+ 0 0 102 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.920 110.9 51.6 -65.6 -40.5 21.7 5.3 -3.9 120 120 A M H <>S+ 0 0 28 -4,-2.0 5,-2.5 1,-0.2 4,-0.3 0.920 110.0 48.7 -61.9 -42.4 24.5 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.909 109.2 53.0 -62.5 -41.2 26.4 2.8 -3.2 122 122 A Q H 3<5S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.918 110.8 47.5 -60.1 -40.0 23.3 0.9 -2.2 123 123 A Q T 3<5S- 0 0 93 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.459 112.6-122.9 -79.8 -3.7 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 97 -3,-1.3 2,-1.3 -4,-0.3 -3,-0.2 0.829 59.9 149.1 63.4 35.0 26.7 -1.4 -5.7 125 125 A R >< + 0 0 112 -5,-2.5 4,-2.6 1,-0.2 5,-0.2 -0.656 20.8 175.8 -97.4 75.1 27.6 0.7 -8.8 126 126 A W H > + 0 0 53 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.853 69.0 43.2 -51.7 -49.6 31.1 1.5 -7.5 127 127 A D H > S+ 0 0 112 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.885 115.7 50.0 -70.5 -34.1 32.6 3.4 -10.3 128 128 A E H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.915 109.8 50.3 -69.7 -40.6 29.5 5.4 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.914 107.1 55.2 -61.4 -42.8 29.3 6.3 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.894 107.9 48.2 -59.9 -40.7 33.0 7.4 -7.1 131 131 A V H X S+ 0 0 94 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.921 113.9 46.8 -65.9 -44.2 32.5 9.8 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.900 108.2 54.9 -64.7 -42.6 29.4 11.3 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.3 6,-0.4 1,-0.3 -1,-0.2 0.868 102.8 58.8 -59.8 -34.4 31.1 11.5 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.5 2,-1.8 -5,-0.2 -1,-0.3 0.709 85.9 80.3 -68.7 -19.8 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 165 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.530 81.2 95.3 -86.6 71.2 31.4 16.2 -7.7 136 136 A S S > S- 0 0 19 -2,-1.8 4,-1.9 1,-0.1 3,-0.2 -0.997 85.9-114.1-157.2 158.4 31.2 17.9 -4.3 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.906 115.3 63.3 -61.1 -39.3 32.6 20.7 -2.2 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 8,-0.3 0.915 104.8 43.8 -50.1 -51.2 34.1 18.0 -0.0 139 139 A Y H 4 S+ 0 0 66 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.920 115.6 48.3 -62.8 -45.4 36.3 16.7 -2.8 140 140 A N H < S+ 0 0 112 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.813 116.3 42.1 -68.7 -30.3 37.4 20.2 -3.9 141 141 A Q H < S+ 0 0 118 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.851 132.4 19.0 -84.7 -38.5 38.2 21.3 -0.4 142 142 A T S X S+ 0 0 22 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 -0.545 73.3 162.9-131.7 70.8 40.0 18.2 0.8 143 143 A P H > + 0 0 47 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.834 69.5 51.3 -60.9 -39.3 41.0 16.3 -2.3 144 144 A N H > S+ 0 0 103 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.929 115.6 41.0 -69.8 -40.3 43.6 14.0 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.947 114.7 52.3 -68.7 -45.8 41.4 12.7 1.9 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 -8,-0.3 5,-0.2 0.924 107.4 53.6 -55.7 -43.5 38.4 12.6 -0.3 147 147 A K H X S+ 0 0 87 -4,-2.6 4,-2.4 1,-0.2 -1,-0.3 0.868 107.7 50.6 -59.8 -36.0 40.4 10.5 -2.9 148 148 A R H X S+ 0 0 52 -4,-1.4 4,-1.7 -3,-0.4 -1,-0.2 0.940 113.9 43.3 -67.4 -45.7 41.3 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.913 114.3 50.1 -67.3 -41.3 37.8 7.5 1.0 150 150 A I H X S+ 0 0 12 -4,-3.1 4,-2.6 -5,-0.2 -1,-0.2 0.913 109.0 51.4 -64.1 -40.3 36.4 7.4 -2.5 151 151 A T H X S+ 0 0 32 -4,-2.4 4,-2.9 -5,-0.2 6,-0.3 0.852 107.7 54.3 -63.6 -35.4 39.0 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.926 110.2 45.5 -64.9 -44.0 38.0 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.897 115.6 48.8 -64.9 -40.6 34.3 2.9 -1.7 154 154 A R H < S+ 0 0 92 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.916 124.6 24.7 -67.4 -43.8 35.4 2.0 -5.3 155 155 A T H < S- 0 0 46 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.624 85.1-136.3 -98.3 -20.6 37.6 -1.0 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.2 -5,-0.3 -62,-0.2 0.727 73.9 100.9 67.3 19.9 36.4 -2.3 -1.2 157 157 A T S S- 0 0 44 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.764 80.6-119.2-127.0 175.7 40.1 -2.7 -0.2 158 158 A W S >> S+ 0 0 37 -2,-0.2 3,-2.5 1,-0.2 4,-1.2 0.172 72.1 120.0-100.3 13.3 42.6 -0.6 2.0 159 159 A D T 34 + 0 0 96 1,-0.3 3,-0.2 2,-0.2 -1,-0.2 0.791 68.4 58.7 -49.8 -35.8 45.0 0.1 -0.8 160 160 A A T 34 S+ 0 0 26 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.674 113.4 40.3 -69.4 -16.9 44.6 3.9 -0.5 161 161 A Y T X4 S+ 0 0 1 -3,-2.5 3,-1.3 -13,-0.1 2,-0.3 0.535 88.2 105.4-109.0 -12.4 45.8 3.6 3.1 162 162 A K T 3< S+ 0 0 96 -4,-1.2 0, 0.0 1,-0.2 0, 0.0 -0.593 85.6 22.9 -76.0 130.9 48.5 1.0 2.7 163 163 A N T 3 0 0 177 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.189 360.0 360.0 97.8 -8.4 52.0 2.7 2.9 164 164 A L < 0 0 137 -3,-1.3 -2,-0.1 0, 0.0 -3,-0.1 0.969 360.0 360.0 -86.0 360.0 50.8 5.7 4.9