==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 17-DEC-92 112L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8606.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 70.4 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 51.2 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 2 1 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 68 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 143.7 43.7 -1.8 9.1 2 2 A N > - 0 0 69 156,-0.0 4,-2.5 95,-0.0 3,-0.2 -0.877 360.0 -83.8-143.7 177.3 40.5 -0.8 10.9 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.862 124.8 52.3 -54.4 -41.9 38.2 2.3 11.3 4 4 A F H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.932 112.5 42.0 -62.5 -50.1 40.4 3.6 14.1 5 5 A E H > S+ 0 0 97 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.854 114.3 55.2 -67.2 -31.0 43.7 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.4 0.978 112.0 40.1 -67.4 -50.8 42.0 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.4 0.812 110.0 60.9 -66.0 -31.7 40.7 8.0 10.9 8 8 A R H X S+ 0 0 101 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.870 107.6 45.0 -65.0 -31.6 44.0 8.3 12.8 9 9 A I H < S+ 0 0 87 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.881 116.6 45.5 -77.8 -39.9 45.8 8.7 9.5 10 10 A D H < S+ 0 0 21 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.1 0.875 125.0 29.0 -73.8 -32.5 43.2 11.1 8.1 11 11 A E H < S- 0 0 41 -4,-2.4 19,-0.3 1,-0.2 -3,-0.2 0.650 91.2-154.8-104.0 -22.2 42.9 13.4 11.1 12 12 A G < - 0 0 23 -4,-1.3 2,-0.4 -5,-0.4 -1,-0.2 -0.199 25.7 -85.6 70.5-170.4 46.3 13.1 12.8 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.968 41.5 174.9-140.7 125.0 46.8 13.8 16.5 14 14 A R E -A 28 0A 141 14,-1.5 14,-2.1 -2,-0.4 4,-0.1 -0.998 18.8-161.8-135.2 129.5 47.3 17.2 18.2 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.378 74.2 61.4 -90.4 5.1 47.5 17.8 21.8 16 16 A K E S-C 57 0B 97 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.952 100.3 -84.8-134.0 147.5 46.8 21.5 21.7 17 17 A I E + 0 0 19 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.265 60.0 168.4 -50.2 134.0 43.8 23.4 20.4 18 18 A Y E -A 26 0A 28 8,-2.9 8,-2.8 -4,-0.1 2,-0.4 -0.879 36.6-104.9-140.5 173.3 44.3 23.9 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.860 32.3-136.7-104.3 136.4 42.2 25.1 13.8 20 20 A D > - 0 0 48 4,-2.9 3,-1.5 -2,-0.4 -1,-0.1 -0.068 41.3 -82.1 -77.0-174.6 40.9 22.5 11.3 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.712 133.3 48.2 -62.2 -22.6 40.9 22.9 7.5 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.395 124.8-102.2 -94.5 -6.7 37.7 25.0 7.7 23 23 A G S < S+ 0 0 37 -3,-1.5 2,-0.3 1,-0.3 -2,-0.1 0.516 73.8 141.4 94.4 12.4 39.2 27.2 10.5 24 24 A Y - 0 0 74 1,-0.1 -4,-2.9 -5,-0.0 -1,-0.3 -0.663 59.5-100.6 -93.0 151.6 37.3 25.7 13.5 25 25 A Y E +AB 19 34A 30 9,-0.9 8,-2.9 11,-0.4 9,-1.3 -0.446 54.5 161.2 -64.5 122.1 38.7 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-2.8 -8,-2.9 -2,-0.3 2,-0.3 -0.899 19.0-169.4-139.8 162.5 39.6 21.3 17.3 27 27 A I E > - B 0 31A 0 4,-1.5 4,-1.6 -2,-0.3 -12,-0.2 -0.965 53.2 -0.9-149.5 162.0 41.7 19.2 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.5 -2,-0.3 2,-0.9 -0.311 123.2 -3.7 64.6-132.6 43.0 15.5 19.6 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.612 126.9 -54.0 -96.9 70.6 41.9 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.1 -19,-0.3 -2,-0.2 0.773 83.5 160.2 69.7 23.5 39.6 15.5 14.7 31 31 A H E < -B 27 0A 34 -4,-1.6 -4,-1.5 1,-0.0 -1,-0.2 -0.673 33.9-141.9 -84.4 101.8 37.4 16.4 17.7 32 32 A L E -B 26 0A 70 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.317 20.7-178.1 -61.0 129.2 35.5 19.6 16.8 33 33 A L E - 0 0 13 -8,-2.9 2,-0.3 1,-0.3 -7,-0.2 0.891 58.4 -25.8 -94.9 -45.0 35.1 21.9 19.7 34 34 A T E -B 25 0A 27 -9,-1.3 -9,-0.9 2,-0.1 -1,-0.3 -0.943 34.8-138.5-167.8 147.7 33.2 24.8 18.4 35 35 A K S S+ 0 0 132 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.574 74.6 109.9 -88.1 -7.6 32.4 26.7 15.2 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.349 71.7-132.4 -70.1 146.9 32.7 29.9 17.1 37 37 A P S S+ 0 0 115 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.729 76.3 97.6 -69.8 -22.9 35.6 32.3 16.4 38 38 A S >> - 0 0 51 1,-0.2 3,-1.2 2,-0.1 4,-1.2 -0.581 60.5-155.9 -80.1 131.5 36.5 32.9 20.0 39 39 A L H 3> S+ 0 0 68 -2,-0.4 4,-2.1 1,-0.3 -1,-0.2 0.641 101.8 62.1 -67.1 -13.2 39.3 30.8 21.6 40 40 A N H 34 S+ 0 0 122 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.630 100.4 46.3 -88.8 -18.9 37.2 31.8 24.6 41 41 A A H <> S+ 0 0 36 -3,-1.2 4,-0.8 2,-0.1 -2,-0.2 0.655 115.7 51.2 -89.3 -21.7 34.2 30.0 23.5 42 42 A A H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.831 100.6 58.6 -82.9 -39.8 36.6 27.0 22.7 43 43 A K H X S+ 0 0 52 -4,-2.1 4,-2.0 1,-0.2 11,-0.2 0.929 106.3 47.5 -59.9 -44.8 38.4 26.7 25.9 44 44 A P H > S+ 0 0 66 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.901 109.4 53.2 -64.9 -40.3 35.3 26.1 28.0 45 45 A E H X S+ 0 0 69 -4,-0.8 4,-2.0 1,-0.2 -2,-0.2 0.910 109.3 51.4 -60.3 -41.7 33.9 23.5 25.5 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 5,-0.2 0.909 110.4 46.8 -61.4 -43.0 37.3 21.7 25.9 47 47 A D H X>S+ 0 0 37 -4,-2.0 4,-2.2 1,-0.2 5,-1.3 0.884 112.5 50.3 -67.8 -37.9 37.1 21.7 29.8 48 48 A K H <5S+ 0 0 143 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.830 109.3 51.5 -66.7 -36.8 33.6 20.5 29.7 49 49 A A H <5S+ 0 0 43 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.900 119.3 35.1 -69.0 -36.5 34.6 17.7 27.3 50 50 A I H <5S- 0 0 35 -4,-1.8 -2,-0.2 2,-0.3 -1,-0.2 0.695 102.8-123.2 -91.9 -26.9 37.5 16.5 29.5 51 51 A G T <5S+ 0 0 70 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.757 79.1 73.1 88.3 20.4 36.0 17.1 32.9 52 52 A R S - 0 0 8 -2,-1.0 3,-1.3 -11,-0.2 -1,-0.2 0.711 35.4-141.1-100.1 -17.3 42.9 22.1 30.9 55 55 A N T 3 S- 0 0 121 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.903 74.3 -59.0 57.6 38.3 44.2 25.4 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.4 1,-0.1 2,-0.4 0.465 116.5 96.9 71.4 5.8 44.0 24.2 26.1 57 57 A V B < +C 16 0B 65 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.965 45.7 178.5-129.3 141.1 46.2 21.2 26.4 58 58 A I - 0 0 5 -43,-2.0 2,-0.1 -2,-0.4 -30,-0.1 -0.869 26.6-108.0-132.0 169.4 45.4 17.5 26.9 59 59 A T > - 0 0 65 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.423 34.4-105.4 -90.8 170.3 47.2 14.2 27.2 60 60 A K H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.874 120.9 53.5 -60.9 -41.8 47.3 11.3 24.6 61 61 A D H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.872 108.0 49.8 -60.0 -43.9 45.0 9.2 26.8 62 62 A E H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.882 110.4 51.1 -64.2 -39.5 42.4 12.1 26.9 63 63 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -34,-0.4 0.867 110.6 48.5 -62.6 -42.1 42.6 12.4 23.1 64 64 A E H X S+ 0 0 77 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.815 107.7 55.1 -71.1 -29.8 42.1 8.7 22.7 65 65 A K H X S+ 0 0 138 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.937 108.8 46.7 -68.2 -42.6 39.1 8.8 25.0 66 66 A L H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.939 111.7 54.4 -62.2 -41.3 37.4 11.6 22.9 67 67 A F H X S+ 0 0 14 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.910 105.3 50.2 -58.9 -48.9 38.2 9.5 19.8 68 68 A N H X S+ 0 0 91 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.924 113.2 47.9 -58.7 -40.4 36.5 6.3 21.1 69 69 A Q H X S+ 0 0 94 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.903 110.7 50.6 -64.9 -42.6 33.4 8.4 21.9 70 70 A D H X S+ 0 0 34 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.840 111.2 46.9 -66.4 -36.3 33.4 10.1 18.6 71 71 A V H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.947 113.1 49.9 -69.4 -47.4 33.7 6.8 16.6 72 72 A D H X S+ 0 0 88 -4,-2.2 4,-2.5 -5,-0.3 5,-0.3 0.953 111.9 48.0 -55.0 -49.7 30.9 5.2 18.7 73 73 A A H X S+ 0 0 45 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.881 109.2 53.4 -61.0 -39.2 28.7 8.3 18.2 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.963 111.8 44.7 -59.4 -51.2 29.3 8.2 14.3 75 75 A V H X S+ 0 0 35 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.937 114.9 48.5 -54.8 -53.2 28.3 4.5 14.1 76 76 A R H X S+ 0 0 114 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.824 109.9 52.7 -61.5 -33.8 25.2 5.1 16.3 77 77 A G H >X S+ 0 0 4 -4,-2.2 4,-0.8 -5,-0.3 3,-0.5 0.945 108.6 49.5 -67.7 -46.5 24.2 8.1 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 7,-0.3 0.944 111.3 50.5 -54.9 -46.2 24.3 6.1 11.0 79 79 A L H 3< S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.745 111.5 46.9 -69.6 -20.7 22.2 3.4 12.6 80 80 A R H << S+ 0 0 172 -4,-1.3 2,-0.5 -3,-0.5 -1,-0.3 0.426 93.3 95.6 -94.7 -7.6 19.6 5.9 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 5,-0.2 0.818 100.9 67.7 -87.8 -37.6 22.0 6.0 6.2 85 85 A K H X S+ 0 0 81 -4,-2.3 4,-2.7 -7,-0.3 5,-0.2 0.916 98.7 49.9 -54.3 -47.9 21.1 2.9 7.9 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.889 112.4 49.3 -63.5 -33.4 19.9 1.0 4.8 87 87 A V H > S+ 0 0 3 -4,-0.5 4,-0.7 2,-0.2 -2,-0.2 0.956 111.2 47.9 -67.1 -49.6 23.2 2.0 3.0 88 88 A Y H >< S+ 0 0 34 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.939 110.3 52.6 -54.2 -49.5 25.4 0.8 5.8 89 89 A D H 3< S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.822 107.2 53.7 -59.4 -33.4 23.4 -2.5 6.1 90 90 A S H 3< S+ 0 0 36 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.618 96.5 90.1 -74.8 -16.2 24.0 -3.2 2.5 91 91 A L S << S- 0 0 6 -3,-1.5 31,-0.0 -4,-0.7 30,-0.0 -0.552 73.6-117.9 -90.2 158.2 27.8 -2.7 2.6 92 92 A D > - 0 0 55 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.116 44.8 -94.2 -76.6 174.0 30.8 -5.0 3.1 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.862 121.5 48.2 -65.4 -36.1 33.1 -4.4 6.2 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.2 1,-0.2 3,-0.2 0.945 112.9 45.9 -66.9 -50.1 35.6 -2.2 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.810 105.5 61.5 -63.4 -32.3 33.1 0.1 2.7 96 96 A R H X S+ 0 0 78 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.904 101.8 54.0 -59.7 -40.6 31.2 0.5 6.0 97 97 A A H X S+ 0 0 8 -4,-1.3 4,-2.1 -3,-0.2 -1,-0.2 0.870 104.4 54.8 -59.7 -37.5 34.4 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.868 108.9 46.9 -64.6 -37.6 34.4 4.5 4.4 99 99 A L H X S+ 0 0 1 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.890 110.0 52.7 -71.5 -38.8 30.9 5.7 5.3 100 100 A I H X S+ 0 0 8 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.906 107.4 53.6 -63.9 -38.3 31.8 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 5,-0.2 0.955 109.0 47.7 -60.9 -48.3 34.8 8.1 7.9 102 102 A M H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.910 112.3 49.9 -57.5 -45.6 32.5 10.5 5.9 103 103 A V H X S+ 0 0 8 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.919 108.2 52.5 -63.0 -41.8 30.1 10.7 8.8 104 104 A F H < S+ 0 0 31 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.861 116.3 40.3 -59.3 -39.5 32.9 11.5 11.3 105 105 A Q H < S+ 0 0 57 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.882 132.0 19.0 -79.4 -45.4 34.2 14.4 9.1 106 106 A M H X S- 0 0 53 -4,-2.5 4,-0.6 -5,-0.2 -3,-0.2 0.549 102.8-115.8-113.4 -2.4 31.0 15.9 8.0 107 107 A G H X - 0 0 32 -4,-2.6 4,-2.0 -5,-0.3 5,-0.1 0.123 33.8 -80.1 83.7 155.3 28.3 14.8 10.2 108 108 A E H > S+ 0 0 55 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.811 125.5 55.1 -62.4 -37.3 25.2 12.7 9.6 109 109 A T H > S+ 0 0 123 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.945 108.0 48.1 -65.3 -45.9 23.2 15.5 8.1 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.9 2,-0.2 4,-0.3 0.952 114.3 45.5 -57.5 -52.4 25.8 16.3 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-3.3 1,-0.3 -2,-0.2 0.952 107.1 56.8 -58.9 -49.2 26.3 12.7 4.5 112 112 A A H 3< S+ 0 0 10 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.744 98.5 67.9 -53.8 -22.0 22.5 12.0 4.3 113 113 A G T << S+ 0 0 48 -4,-1.0 2,-1.7 -3,-0.9 -1,-0.3 0.660 74.6 83.6 -72.4 -18.3 22.6 14.9 1.9 114 114 A F <> + 0 0 43 -3,-3.3 4,-2.1 -4,-0.3 3,-0.5 -0.276 58.8 162.7 -83.3 55.9 24.6 12.9 -0.8 115 115 A T H > + 0 0 88 -2,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.817 66.2 42.3 -40.5 -57.0 21.3 11.4 -2.1 116 116 A N H > S+ 0 0 83 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.859 113.9 49.5 -66.0 -41.0 22.4 10.2 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.840 109.3 54.1 -65.5 -40.8 25.8 8.7 -4.4 118 118 A L H X S+ 0 0 13 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.894 108.3 49.2 -59.4 -43.5 24.1 6.8 -1.5 119 119 A R H X S+ 0 0 123 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.901 111.5 49.3 -64.3 -41.1 21.6 5.3 -4.0 120 120 A M H <>S+ 0 0 27 -4,-2.0 5,-2.5 2,-0.2 4,-0.2 0.884 110.7 49.9 -65.9 -39.7 24.5 4.3 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.947 108.8 52.6 -64.7 -45.4 26.4 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.902 110.1 48.3 -59.7 -32.9 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 87 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.435 113.5-121.6 -86.7 0.2 23.1 -0.6 -5.8 124 124 A K T < 5 + 0 0 99 -3,-2.1 2,-1.2 -4,-0.2 -3,-0.2 0.731 60.9 148.3 63.7 35.4 26.7 -1.5 -5.7 125 125 A R >< + 0 0 118 -5,-2.5 4,-2.1 1,-0.2 -1,-0.2 -0.706 19.7 173.3 -97.6 77.7 27.6 0.7 -8.8 126 126 A W H > + 0 0 49 -2,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.864 68.6 47.3 -56.3 -53.2 31.1 1.5 -7.5 127 127 A D H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 115.4 47.0 -61.0 -41.1 32.7 3.3 -10.4 128 128 A E H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.866 110.4 51.6 -70.9 -33.0 29.6 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.889 108.0 52.9 -67.7 -37.8 29.4 6.3 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.884 109.7 48.9 -62.8 -41.8 33.1 7.3 -7.2 131 131 A V H < S+ 0 0 91 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.898 114.7 44.5 -64.5 -42.6 32.5 9.7 -10.1 132 132 A N H >< S+ 0 0 43 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.893 107.6 57.0 -73.1 -37.0 29.5 11.3 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.4 1,-0.2 -1,-0.2 0.835 100.3 62.0 -61.3 -29.4 31.1 11.6 -4.9 134 134 A A T 3< S+ 0 0 27 -4,-1.0 2,-1.9 1,-0.2 -1,-0.2 0.702 84.8 78.3 -71.1 -19.7 33.9 13.6 -6.6 135 135 A K S < S+ 0 0 156 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.496 80.1 97.8 -88.5 68.7 31.5 16.4 -7.6 136 136 A S S > S- 0 0 18 -2,-1.9 4,-1.8 1,-0.1 5,-0.2 -0.998 84.1-117.1-152.7 157.3 31.3 18.0 -4.3 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.902 114.8 63.4 -57.1 -42.2 32.7 20.8 -2.2 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.932 105.6 43.0 -47.0 -51.4 34.1 18.0 0.1 139 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.835 115.4 48.4 -69.0 -36.6 36.3 16.7 -2.7 140 140 A N H < S+ 0 0 110 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.863 115.9 42.8 -74.7 -33.2 37.4 20.1 -3.8 141 141 A Q H < S+ 0 0 105 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.863 131.8 20.7 -79.8 -40.9 38.2 21.3 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 -0.477 74.1 161.5-127.3 65.6 40.0 18.1 1.0 143 143 A P H > + 0 0 49 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.770 69.5 50.0 -55.6 -40.7 41.0 16.3 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.908 116.3 40.8 -70.9 -42.2 43.7 14.0 -0.8 145 145 A R H > S+ 0 0 23 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.924 115.0 52.3 -69.6 -42.9 41.6 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.922 107.5 53.0 -56.4 -46.3 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 94 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.872 108.2 50.5 -60.0 -39.4 40.4 10.4 -2.9 148 148 A R H X S+ 0 0 69 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.950 113.9 44.2 -62.0 -49.1 41.4 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.933 114.5 49.7 -61.1 -44.8 37.8 7.6 1.0 150 150 A I H X S+ 0 0 13 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.867 108.6 52.5 -60.0 -42.2 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.1 4,-2.5 -5,-0.3 6,-0.3 0.868 106.1 53.9 -64.0 -37.1 39.1 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.877 111.5 45.6 -64.1 -40.0 38.0 2.6 -0.5 153 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.889 114.8 48.0 -69.8 -40.3 34.4 2.8 -1.9 154 154 A R H < S+ 0 0 107 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.927 127.1 23.1 -64.9 -44.5 35.5 2.0 -5.5 155 155 A T H < S- 0 0 44 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.689 84.2-137.7 -98.9 -29.2 37.7 -1.0 -4.6 156 156 A G S < S+ 0 0 15 -4,-2.1 2,-0.2 -5,-0.3 -62,-0.2 0.689 71.1 101.9 73.1 20.4 36.5 -2.3 -1.3 157 157 A T S S- 0 0 49 -6,-0.3 3,-0.3 -5,-0.1 -1,-0.3 -0.756 79.9-118.5-127.0 171.5 40.2 -2.8 -0.2 158 158 A W S > S+ 0 0 37 -2,-0.2 3,-1.8 1,-0.2 4,-0.3 0.135 73.2 120.5 -93.2 15.8 42.5 -0.7 2.2 159 159 A D G > + 0 0 110 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.830 65.1 58.5 -51.6 -43.7 45.0 -0.0 -0.6 160 160 A A G 3 S+ 0 0 38 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.710 110.8 46.1 -62.8 -18.7 44.8 3.9 -0.5 161 161 A Y G < 0 0 19 -3,-1.8 -1,-0.3 -13,-0.1 -2,-0.2 0.358 360.0 360.0-105.6 3.1 45.8 3.6 3.1 162 162 A K < 0 0 177 -3,-1.9 -2,-0.2 -4,-0.3 -3,-0.1 0.849 360.0 360.0-104.2 360.0 48.7 1.2 2.6