==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-NOV-08 3FAD . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.H.M MOOERS,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 72.6 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 . 10 6.1 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 . 12 7.3 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 2 0 1 1 2 0 0 1 1 1 0 0 0 0 0 0 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 1 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 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 72 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.4 42.8 -1.8 9.0 2 2 A N > - 0 0 68 95,-0.0 4,-2.6 92,-0.0 5,-0.2 -0.903 360.0 -82.4-155.1 176.5 39.5 -0.8 10.9 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.846 125.5 52.8 -61.2 -37.3 37.6 2.4 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.948 112.2 43.8 -64.4 -47.0 39.8 3.7 14.1 5 5 A E H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.899 114.1 52.4 -64.9 -37.7 43.0 3.2 12.2 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.959 113.3 41.6 -61.4 -52.1 41.4 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.850 109.1 59.7 -70.0 -30.9 40.2 7.9 10.9 8 8 A R H X S+ 0 0 108 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.909 108.8 45.5 -62.4 -38.9 43.4 8.2 12.8 9 9 A I H < S+ 0 0 49 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.948 117.8 42.5 -64.3 -47.9 45.2 8.5 9.4 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.803 125.3 32.5 -72.8 -30.6 42.7 11.0 8.0 11 11 A E H < S- 0 0 42 -4,-2.7 19,-0.4 -5,-0.2 -1,-0.2 0.659 91.3-152.4-102.2 -22.3 42.4 13.1 11.2 12 12 A G < - 0 0 22 -4,-1.8 2,-0.3 -5,-0.4 -1,-0.1 -0.207 22.3 -89.3 74.6-175.0 45.7 13.0 12.8 13 13 A L + 0 0 47 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.939 44.6 165.1-141.0 116.4 46.4 13.4 16.5 14 14 A R E -A 28 0A 145 14,-1.8 14,-2.3 -2,-0.3 4,-0.1 -1.000 22.2-160.3-133.2 132.4 47.0 16.8 18.1 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.518 73.8 64.6 -93.7 -4.2 46.9 17.4 21.9 16 16 A K E S-C 57 0B 155 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.875 100.9 -87.1-116.3 148.5 46.4 21.1 21.8 17 17 A I E + 0 0 32 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.293 58.3 167.6 -53.5 134.4 43.4 23.0 20.4 18 18 A Y E -A 26 0A 27 8,-2.7 8,-2.9 6,-0.1 2,-0.5 -0.881 37.7-100.9-140.3 169.6 44.0 23.6 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.864 35.0-137.0 -99.9 131.9 41.8 24.8 13.8 20 20 A D > - 0 0 44 4,-2.7 3,-1.9 -2,-0.5 -1,-0.1 0.037 41.6 -79.4 -73.0-174.2 40.5 22.1 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.758 133.8 50.1 -67.1 -21.5 40.5 22.4 7.6 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.398 123.4-103.5 -93.6 0.1 37.3 24.6 7.8 23 23 A G S < S+ 0 0 38 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.547 76.3 138.2 89.2 13.2 38.9 26.9 10.4 24 24 A Y - 0 0 76 1,-0.1 -4,-2.7 -5,-0.0 -1,-0.3 -0.714 61.3-101.0 -99.5 141.4 37.0 25.5 13.4 25 25 A Y E +A 19 0A 34 11,-0.4 8,-2.8 9,-0.4 9,-1.2 -0.337 53.9 160.6 -65.5 133.3 38.5 24.7 16.8 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.7 6,-0.3 2,-0.3 -0.889 18.8-168.9-145.3 162.2 39.3 21.1 17.2 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.5 -2,-0.3 2,-0.2 -0.978 51.9 6.4-152.3 164.9 41.4 18.8 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.8 -2,-0.3 2,-0.9 -0.419 123.0 -8.6 74.9-134.9 42.5 15.2 19.6 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.718 129.5 -51.0-102.5 72.8 41.7 13.0 16.6 30 30 A G T 4 S+ 0 0 11 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.791 82.5 163.8 65.2 30.3 39.3 15.3 14.8 31 31 A H E < -B 27 0A 30 -4,-2.5 -4,-1.8 -20,-0.1 2,-0.3 -0.721 30.7-144.7 -83.1 105.0 37.1 16.2 17.8 32 32 A L E -B 26 0A 74 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.507 17.0-174.0 -68.6 127.5 35.3 19.3 16.7 33 33 A L - 0 0 12 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.877 57.9 -34.7 -89.1 -45.1 34.8 21.6 19.7 34 34 A T - 0 0 32 -9,-1.2 -1,-0.4 2,-0.1 -9,-0.4 -0.956 36.1-129.2-171.4 153.6 32.7 24.4 18.3 35 35 A K S S+ 0 0 133 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.386 75.0 117.1 -93.0 1.7 32.1 26.4 15.1 36 36 A S - 0 0 37 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.437 68.7-137.7 -65.4 139.2 32.3 29.6 17.3 37 37 A P S S+ 0 0 125 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.475 76.9 104.8 -76.2 2.5 35.2 31.9 16.4 38 38 A S > - 0 0 49 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.686 56.5-163.7 -90.9 116.8 35.8 32.3 20.1 39 39 A L H > S+ 0 0 68 -2,-0.7 4,-2.7 2,-0.2 5,-0.2 0.897 93.9 56.5 -59.1 -39.2 38.8 30.4 21.5 40 40 A N H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 106.5 49.9 -62.3 -38.9 37.4 30.9 25.0 41 41 A A H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.903 110.2 50.4 -64.3 -39.8 34.2 29.2 23.9 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.904 108.8 52.0 -62.7 -42.7 36.2 26.3 22.5 43 43 A K H X S+ 0 0 58 -4,-2.7 4,-2.4 1,-0.2 11,-0.3 0.899 108.7 50.8 -61.2 -39.7 38.1 26.0 25.8 44 44 A S H X S+ 0 0 68 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.916 109.2 50.1 -62.8 -45.9 34.9 25.8 27.6 45 45 A E H X S+ 0 0 66 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.888 110.4 51.5 -57.6 -39.9 33.6 23.1 25.3 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.942 109.2 48.5 -62.4 -47.5 36.8 21.2 25.8 47 47 A D H X>S+ 0 0 37 -4,-2.4 4,-2.4 1,-0.2 5,-0.8 0.908 111.9 50.0 -62.5 -40.6 36.6 21.4 29.6 48 48 A K H <5S+ 0 0 143 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.889 111.8 49.0 -60.9 -43.3 32.9 20.2 29.5 49 49 A A H <5S+ 0 0 41 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.851 120.7 34.3 -67.0 -35.1 33.9 17.3 27.2 50 50 A I H <5S- 0 0 35 -4,-2.2 -2,-0.2 2,-0.3 -1,-0.2 0.709 102.5-125.8 -94.6 -26.6 36.8 16.1 29.4 51 51 A G T <5S+ 0 0 68 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.682 79.7 68.3 87.3 19.0 35.4 16.9 32.8 52 52 A R S - 0 0 8 -2,-0.7 3,-2.3 -11,-0.3 -1,-0.2 0.396 31.7-142.5-105.8 -2.9 42.2 21.5 30.5 55 55 A N T 3 S- 0 0 108 1,-0.3 -2,-0.1 -12,-0.1 3,-0.1 0.872 74.5 -48.9 34.1 56.1 43.2 25.0 29.5 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-2.0 1,-0.1 2,-0.4 0.441 119.3 97.9 69.4 12.8 43.4 23.9 25.9 57 57 A V B < +C 16 0B 73 -3,-2.3 2,-0.3 -41,-0.2 -41,-0.2 -0.975 42.7 177.6-130.7 139.7 45.5 20.7 26.4 58 58 A I - 0 0 5 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.902 27.2-111.1-133.6 170.9 44.7 17.1 26.7 59 59 A T > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.492 33.6-108.8 -92.2 163.3 46.5 13.8 27.1 60 60 A K H > S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 120.7 53.5 -55.6 -45.4 46.6 11.0 24.4 61 61 A D H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 109.3 48.2 -60.4 -41.5 44.3 8.8 26.5 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.920 110.6 51.5 -65.3 -41.2 41.8 11.6 26.7 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -34,-0.4 0.914 110.3 48.8 -57.9 -43.8 42.0 12.1 23.0 64 64 A E H X S+ 0 0 78 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.853 108.2 54.6 -67.9 -34.4 41.4 8.4 22.4 65 65 A K H X S+ 0 0 138 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.946 109.9 45.5 -61.9 -48.7 38.4 8.5 24.8 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.905 112.2 53.0 -58.4 -40.0 36.8 11.3 22.8 67 67 A F H X S+ 0 0 10 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.930 106.8 51.5 -62.3 -45.9 37.6 9.5 19.6 68 68 A N H X S+ 0 0 92 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.910 113.0 45.7 -56.7 -44.6 36.0 6.3 20.8 69 69 A Q H X S+ 0 0 104 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.892 112.6 50.5 -65.6 -41.8 32.8 8.3 21.7 70 70 A D H X S+ 0 0 36 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.892 110.1 48.5 -67.6 -41.0 32.8 10.2 18.4 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.948 112.9 48.4 -64.0 -47.3 33.1 7.0 16.2 72 72 A A H X S+ 0 0 59 -4,-1.9 4,-3.0 -5,-0.3 5,-0.3 0.922 110.7 51.2 -60.0 -41.1 30.3 5.4 18.2 73 73 A A H X S+ 0 0 65 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.869 108.3 52.0 -63.2 -37.6 28.2 8.4 17.8 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.938 114.4 43.2 -63.1 -46.7 28.8 8.5 14.0 75 75 A V H X S+ 0 0 34 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.935 115.5 45.5 -65.9 -49.1 27.7 4.9 13.7 76 76 A R H X S+ 0 0 137 -4,-3.0 4,-1.5 -5,-0.2 -1,-0.2 0.878 110.8 56.5 -64.7 -32.6 24.8 5.0 16.0 77 77 A G H X S+ 0 0 12 -4,-2.0 4,-0.7 -5,-0.3 -1,-0.2 0.917 105.5 50.3 -59.2 -48.0 23.8 8.2 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 7,-0.4 0.931 109.2 51.6 -54.4 -45.8 23.8 6.4 10.8 79 79 A L H 3< S+ 0 0 59 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.801 110.4 49.0 -66.4 -29.4 21.6 3.7 12.3 80 80 A R H 3< S+ 0 0 175 -4,-1.5 2,-0.5 -3,-0.2 -1,-0.3 0.496 93.5 90.1 -85.3 -5.2 19.1 6.3 13.5 81 81 A N S+ 0 0 118 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.855 119.9 37.1 -83.5 -34.3 18.3 7.9 4.7 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-3.0 2,-0.1 5,-0.2 0.854 101.5 69.2 -90.2 -34.2 21.6 6.4 5.9 85 85 A K H X S+ 0 0 101 -4,-2.8 4,-2.9 -7,-0.4 5,-0.2 0.925 100.0 47.6 -58.5 -48.6 20.6 3.2 7.7 86 86 A P H > S+ 0 0 60 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.920 114.7 46.8 -63.8 -35.6 19.4 1.3 4.6 87 87 A V H >X S+ 0 0 6 -4,-0.6 3,-0.8 2,-0.2 4,-0.8 0.966 113.6 48.6 -65.8 -47.4 22.5 2.2 2.6 88 88 A Y H >< S+ 0 0 30 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.940 110.8 49.5 -56.1 -50.2 24.7 1.3 5.6 89 89 A D H 3< S+ 0 0 95 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.698 105.9 58.5 -68.6 -16.8 23.0 -2.0 6.1 90 90 A S H << S+ 0 0 34 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.648 96.0 85.6 -80.0 -19.1 23.4 -2.9 2.4 91 91 A L S << S- 0 0 12 -3,-1.5 2,-0.1 -4,-0.8 31,-0.0 -0.445 77.6-115.0 -86.0 158.8 27.2 -2.5 2.5 92 92 A D > - 0 0 53 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.342 43.3 -95.4 -75.3 168.6 30.1 -4.8 3.3 93 93 A A H > S+ 0 0 72 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.790 121.8 50.3 -66.0 -29.9 32.3 -4.1 6.3 94 94 A V H >> S+ 0 0 29 62,-0.2 4,-1.1 2,-0.2 3,-0.6 0.952 112.8 45.8 -73.0 -45.5 35.0 -2.2 4.4 95 95 A R H 3> S+ 0 0 25 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.845 103.1 65.8 -66.7 -29.2 32.6 0.1 2.7 96 96 A H H 3X S+ 0 0 36 -4,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.902 99.7 53.2 -50.5 -44.3 30.8 0.6 6.1 97 97 A C H S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.884 125.2 51.7 -65.8 -41.9 24.9 12.9 9.3 109 109 A T H > S+ 0 0 120 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.933 110.6 51.2 -66.7 -38.1 22.6 15.5 7.8 110 110 A G H >4 S+ 0 0 33 -4,-0.4 3,-0.6 1,-0.2 -2,-0.2 0.954 113.0 42.5 -62.8 -48.7 25.4 16.4 5.3 111 111 A V H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.884 107.5 60.8 -68.3 -34.9 26.0 12.9 4.2 112 112 A A H 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.736 96.1 63.1 -68.8 -17.4 22.3 12.1 4.0 113 113 A G T << S+ 0 0 53 -4,-1.1 2,-1.4 -3,-0.6 3,-0.3 0.537 77.2 87.8 -78.4 -6.6 22.0 14.9 1.4 114 114 A F <> + 0 0 42 -3,-2.0 4,-2.9 1,-0.2 5,-0.3 -0.211 58.2 154.8 -79.0 47.2 24.4 12.8 -1.0 115 115 A T H > + 0 0 54 -2,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.863 62.2 43.8 -54.9 -46.2 21.2 11.3 -2.2 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.926 115.2 48.8 -71.8 -35.4 22.2 10.2 -5.7 117 117 A S H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.898 109.9 52.4 -66.5 -41.2 25.6 8.8 -4.5 118 118 A L H X S+ 0 0 11 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.891 107.7 52.0 -61.9 -39.8 23.8 6.9 -1.7 119 119 A R H X S+ 0 0 128 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.935 109.3 49.3 -61.5 -46.3 21.4 5.4 -4.3 120 120 A M H <>S+ 0 0 40 -4,-2.1 5,-2.5 1,-0.2 4,-0.3 0.895 110.7 50.5 -62.5 -37.2 24.3 4.3 -6.4 121 121 A L H ><5S+ 0 0 1 -4,-2.3 3,-1.4 2,-0.2 -1,-0.2 0.926 109.6 50.0 -63.8 -44.6 26.1 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.864 111.2 50.1 -60.7 -34.4 22.9 0.9 -2.5 123 123 A Q T 3<5S- 0 0 84 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.492 111.9-124.9 -80.3 -5.5 22.7 -0.4 -6.1 124 124 A K T < 5 + 0 0 98 -3,-1.4 2,-1.3 -4,-0.3 -3,-0.2 0.809 60.8 147.2 61.0 35.2 26.4 -1.5 -5.9 125 125 A R >< + 0 0 122 -5,-2.5 4,-2.7 1,-0.2 -1,-0.2 -0.694 21.3 173.2 -94.8 76.1 27.2 0.6 -8.9 126 126 A W H > + 0 0 48 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.870 67.7 44.4 -68.3 -42.6 30.6 1.3 -7.5 127 127 A D H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 116.7 48.1 -70.4 -39.0 32.4 3.1 -10.4 128 128 A E H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.919 111.1 50.5 -62.8 -45.2 29.3 5.3 -11.0 129 129 A A H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.905 108.3 53.3 -60.0 -42.0 29.0 6.0 -7.3 130 130 A A H X S+ 0 0 12 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.906 109.9 47.5 -60.3 -46.5 32.8 7.0 -7.2 131 131 A V H X S+ 0 0 91 -4,-2.1 4,-0.5 1,-0.2 3,-0.4 0.923 114.0 47.1 -58.2 -45.8 32.2 9.4 -10.1 132 132 A N H >< S+ 0 0 36 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.910 106.0 57.3 -67.6 -39.2 29.2 10.9 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.808 100.9 58.9 -59.6 -32.9 30.8 11.3 -5.0 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-1.8 -3,-0.4 -1,-0.3 0.633 83.8 82.3 -74.7 -13.6 33.6 13.4 -6.6 135 135 A K S << S+ 0 0 161 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 -0.522 81.6 98.7 -87.2 65.6 31.1 16.0 -7.8 136 136 A S S > S- 0 0 15 -2,-1.8 4,-1.9 1,-0.1 5,-0.2 -0.997 85.3-119.0-153.7 151.3 31.0 17.7 -4.4 137 137 A R H > S+ 0 0 142 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.904 114.7 63.3 -55.4 -41.6 32.3 20.5 -2.3 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.925 104.2 43.3 -47.5 -54.6 33.7 17.7 -0.2 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.895 114.9 49.9 -62.4 -43.6 36.0 16.4 -2.9 140 140 A N H < S+ 0 0 107 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.873 115.6 41.6 -65.8 -37.0 37.1 19.9 -3.9 141 141 A Q H < S+ 0 0 109 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.849 132.3 20.2 -82.2 -35.2 38.0 21.0 -0.4 142 142 A T S X S+ 0 0 21 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 -0.582 74.6 160.5-130.2 67.6 39.7 17.8 0.9 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.857 70.1 50.9 -65.0 -40.1 40.6 16.0 -2.3 144 144 A N H > S+ 0 0 107 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.942 116.3 41.1 -67.7 -42.0 43.3 13.7 -0.9 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 115.5 50.8 -65.9 -44.8 41.1 12.4 1.9 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.900 107.3 54.1 -61.3 -40.1 38.0 12.2 -0.4 147 147 A K H X S+ 0 0 98 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.904 109.0 49.0 -60.6 -40.7 40.0 10.2 -2.9 148 148 A R H X S+ 0 0 57 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.930 113.9 45.0 -62.9 -45.8 41.0 7.7 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.931 113.9 49.9 -64.0 -44.8 37.4 7.4 0.9 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.917 108.4 52.2 -61.9 -41.4 36.1 7.1 -2.7 151 151 A T H X S+ 0 0 37 -4,-2.6 4,-2.6 1,-0.2 6,-0.4 0.881 107.5 53.8 -60.2 -38.8 38.6 4.4 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.934 112.0 43.6 -62.0 -45.3 37.4 2.5 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.873 115.0 50.3 -63.5 -39.2 33.8 2.7 -1.8 154 154 A R H < S+ 0 0 108 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.933 126.6 21.0 -66.6 -44.2 34.9 1.9 -5.3 155 155 A T H < S- 0 0 39 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.666 84.6-135.4-101.9 -22.9 37.0 -1.2 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.3 -5,-0.4 -62,-0.2 0.772 73.1 105.8 63.5 25.4 35.8 -2.5 -1.0 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.805 80.0-120.8-125.4 169.3 39.5 -2.9 -0.1 158 158 A W S >> S+ 0 0 50 -2,-0.3 3,-2.2 1,-0.2 4,-2.1 0.145 70.9 122.5 -94.1 19.2 41.9 -1.0 2.1 159 159 A D T 34 + 0 0 118 1,-0.3 -1,-0.2 2,-0.2 -7,-0.1 0.795 68.6 56.0 -56.9 -31.2 44.3 -0.2 -0.7 160 160 A A T 34 S+ 0 0 25 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.637 118.7 33.1 -75.1 -13.7 44.1 3.6 -0.2 161 161 A Y T X4 S+ 0 0 1 -3,-2.2 3,-1.8 -13,-0.1 2,-0.6 0.551 92.9 96.0-117.0 -23.7 45.2 3.2 3.5 162 162 A K T 3< S+ 0 0 61 -4,-2.1 -1,-0.0 1,-0.3 0, 0.0 -0.773 90.1 33.5 -81.6 120.2 47.5 0.2 3.4 163 163 A N T 3 0 0 109 -2,-0.6 -1,-0.3 1,-0.5 -4,-0.1 -0.033 360.0 360.0 110.6 -8.9 50.9 1.7 3.1 164 164 A L < 0 0 140 -3,-1.8 -1,-0.5 0, 0.0 -3,-0.1 -0.580 360.0 360.0-103.4 360.0 49.9 4.7 5.2