==== 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 24-MAR-95 178L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR M.MATSUMURA,L.WEAVER,X.-J.ZHANG,B.W.MATTHEWS . 162 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 76.5 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 0 1 2 1 0 0 1 1 0 0 0 0 0 0 0 2 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 98 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 144.0 94.0 39.7 20.5 2 2 A N > - 0 0 56 156,-0.1 4,-3.2 95,-0.0 5,-0.2 -0.942 360.0 -80.7-159.1 178.3 96.3 41.9 18.5 3 3 A I H > S+ 0 0 36 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.763 122.4 60.2 -65.5 -20.3 98.9 41.7 15.9 4 4 A F H > S+ 0 0 2 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.969 110.5 37.3 -76.9 -43.2 101.4 40.8 18.4 5 5 A E H > S+ 0 0 49 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.921 113.3 59.7 -71.7 -35.8 99.7 37.7 19.5 6 6 A M H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.972 114.8 35.0 -52.5 -50.6 98.7 37.0 16.0 7 7 A L H X>S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-1.6 0.900 108.2 64.3 -75.1 -33.0 102.3 37.0 15.0 8 8 A R H <5S+ 0 0 89 -4,-3.7 -1,-0.2 -5,-0.3 4,-0.2 0.963 113.5 38.6 -49.2 -44.5 103.4 35.4 18.3 9 9 A I H <5S+ 0 0 72 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.976 116.8 46.1 -69.3 -60.3 101.3 32.5 17.0 10 10 A D H <5S+ 0 0 18 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.926 134.8 11.1 -51.2 -51.2 102.0 32.4 13.3 11 11 A E T <5S- 0 0 91 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.874 102.0-127.9 -96.5 -51.6 105.8 32.8 13.6 12 12 A G < - 0 0 29 -5,-1.6 2,-0.5 -4,-0.2 18,-0.2 -0.233 9.2-101.6 114.5 158.5 106.7 32.3 17.2 13 13 A L - 0 0 43 -5,-0.2 2,-0.5 16,-0.1 16,-0.2 -0.975 21.0-170.4-121.5 122.5 108.6 34.0 20.0 14 14 A R E -A 28 0A 160 14,-1.8 14,-2.2 -2,-0.5 4,-0.1 -0.910 7.3-162.8-108.8 134.9 112.0 33.0 21.1 15 15 A L E + 0 0 67 -2,-0.5 43,-2.8 12,-0.2 2,-0.3 0.351 68.7 55.9-102.0 6.2 112.9 34.9 24.3 16 16 A K E S-C 57 0B 114 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.923 98.9 -75.7-132.9 154.1 116.7 34.3 24.1 17 17 A I E + 0 0 12 39,-1.0 2,-0.3 -2,-0.3 10,-0.2 -0.129 52.4 174.2 -52.2 146.5 119.3 35.1 21.4 18 18 A Y E -A 26 0A 41 8,-2.3 8,-3.8 -4,-0.1 2,-0.6 -0.989 35.9-118.6-157.0 145.6 119.5 32.9 18.4 19 19 A K E -A 25 0A 113 -2,-0.3 6,-0.3 6,-0.3 5,-0.1 -0.723 38.6-138.3 -82.1 121.1 121.3 32.7 15.2 20 20 A D > - 0 0 45 4,-4.4 3,-1.3 -2,-0.6 -1,-0.1 0.118 38.8 -75.8 -65.9-167.4 118.7 32.9 12.4 21 21 A T T 3 S+ 0 0 140 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.903 133.7 45.9 -59.2 -45.3 118.7 30.8 9.3 22 22 A E T 3 S- 0 0 140 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 -0.030 127.8 -93.2 -92.6 32.1 121.5 32.8 7.7 23 23 A G S < S+ 0 0 27 -3,-1.3 2,-0.3 1,-0.2 -2,-0.1 0.454 80.7 140.5 76.1 2.7 123.6 32.8 10.9 24 24 A Y - 0 0 65 -5,-0.1 -4,-4.4 1,-0.1 2,-0.3 -0.611 56.9-110.3 -87.8 142.3 122.3 36.2 12.2 25 25 A Y E +AB 19 34A 31 9,-0.8 8,-3.0 11,-0.4 9,-1.2 -0.449 49.0 161.3 -70.4 123.0 121.6 37.0 15.8 26 26 A T E -AB 18 32A 3 -8,-3.8 -8,-2.3 -2,-0.3 2,-0.3 -0.828 16.5-176.0-136.9 170.4 117.9 37.4 16.4 27 27 A I E > + B 0 31A 0 4,-1.5 4,-1.8 -2,-0.3 2,-0.2 -0.974 52.4 4.8-165.0 159.0 115.4 37.4 19.3 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.8 -2,-0.3 2,-1.1 -0.385 126.1 -1.1 62.5-127.5 111.6 37.6 20.0 29 29 A I T 4 S- 0 0 3 34,-0.2 -1,-0.2 -16,-0.2 3,-0.1 -0.642 127.3 -57.6 -99.4 81.0 109.6 37.6 16.8 30 30 A G T 4 S+ 0 0 48 -2,-1.1 2,-1.2 1,-0.2 -2,-0.2 0.823 85.0 162.2 55.8 31.7 112.3 37.5 14.1 31 31 A H E < -B 27 0A 21 -4,-1.8 -4,-1.5 1,-0.0 2,-0.4 -0.700 31.1-144.1 -89.7 105.8 113.8 40.6 15.5 32 32 A L E -B 26 0A 63 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.615 19.3-176.2 -77.9 130.1 117.2 40.7 14.1 33 33 A L E - 0 0 16 -8,-3.0 2,-0.3 -2,-0.4 -7,-0.2 0.862 61.8 -9.0 -88.0 -54.1 119.9 42.1 16.4 34 34 A T E -B 25 0A 23 -9,-1.2 -9,-0.8 2,-0.1 -1,-0.3 -0.997 34.3-154.9-151.5 150.8 123.1 42.1 14.2 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.655 79.0 92.6 -96.8 -16.1 124.5 41.0 10.9 36 36 A S S S- 0 0 49 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.007 85.3-118.9 -63.3 176.5 127.9 41.0 12.4 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.232 73.6 103.8-119.0 43.1 129.3 37.8 14.0 38 38 A S > - 0 0 41 1,-0.2 4,-2.3 -13,-0.0 5,-0.1 -0.983 52.9-157.8-128.2 125.0 129.9 38.7 17.5 39 39 A L H > S+ 0 0 54 -2,-0.5 4,-3.3 2,-0.2 5,-0.3 0.951 99.3 58.7 -62.6 -45.8 127.7 37.7 20.4 40 40 A N H > S+ 0 0 121 1,-0.3 4,-3.4 2,-0.2 -1,-0.2 0.928 106.4 50.2 -49.4 -39.5 128.9 40.5 22.4 41 41 A A H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.937 110.6 47.5 -65.4 -45.1 127.6 42.7 19.6 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.997 114.4 47.8 -56.9 -56.9 124.3 41.0 19.6 43 43 A K H X S+ 0 0 63 -4,-3.3 4,-2.7 1,-0.2 3,-0.5 0.935 110.5 51.0 -47.3 -57.9 124.2 41.4 23.4 44 44 A S H X S+ 0 0 53 -4,-3.4 4,-2.7 -5,-0.3 -1,-0.2 0.897 110.4 48.8 -45.9 -52.7 125.2 45.0 23.4 45 45 A E H X S+ 0 0 95 -4,-2.3 4,-2.8 2,-0.2 -1,-0.3 0.867 113.4 47.9 -56.0 -42.8 122.5 45.9 20.8 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-3.6 -3,-0.5 5,-0.4 0.997 111.5 47.6 -60.1 -67.0 120.0 44.1 22.8 47 47 A D H X>S+ 0 0 29 -4,-2.7 5,-1.7 2,-0.2 4,-1.3 0.826 115.8 47.5 -43.3 -41.9 120.9 45.6 26.1 48 48 A K H ><5S+ 0 0 129 -4,-2.7 3,-1.6 -5,-0.3 -2,-0.2 0.995 116.3 43.2 -57.7 -75.0 120.9 49.0 24.3 49 49 A A H 3<5S+ 0 0 32 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.700 116.8 45.2 -35.9 -46.7 117.6 48.3 22.7 50 50 A I H 3<5S- 0 0 10 -4,-3.6 -1,-0.3 2,-0.2 -2,-0.2 0.711 105.6-124.8 -80.9 -21.3 115.9 46.9 25.8 51 51 A G T <<5S+ 0 0 65 -3,-1.6 2,-0.3 -4,-1.3 -3,-0.2 0.826 78.0 49.2 77.7 40.3 117.2 49.6 28.1 52 52 A R S - 0 0 6 -2,-1.5 3,-1.3 -11,-0.2 -1,-0.2 0.801 32.1-148.6 -61.7 -38.6 119.2 41.6 29.5 55 55 A N T 3 S- 0 0 121 1,-0.3 3,-0.1 -3,-0.2 -12,-0.1 0.768 70.3 -56.0 70.6 25.1 122.1 39.2 29.2 56 56 A G T 3 S+ 0 0 0 1,-0.2 -39,-1.0 -13,-0.2 2,-0.5 0.249 120.7 103.1 89.4 -11.1 120.5 37.8 26.1 57 57 A V B < +C 16 0B 77 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.914 46.3 175.5-111.7 134.6 117.2 37.1 27.8 58 58 A I - 0 0 6 -43,-2.8 2,-0.2 -2,-0.5 -30,-0.1 -0.759 25.3-118.2-126.5 174.7 114.1 39.1 27.5 59 59 A T > - 0 0 52 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.503 37.0-104.2 -99.2 172.0 110.5 39.2 28.5 60 60 A K H > S+ 0 0 52 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.890 119.0 55.2 -67.5 -37.0 107.5 39.1 26.3 61 61 A D H > S+ 0 0 107 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.933 107.5 49.3 -60.5 -46.1 106.9 42.8 26.8 62 62 A E H > S+ 0 0 28 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.984 109.8 51.2 -55.3 -51.0 110.3 43.6 25.7 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-3.9 1,-0.2 -34,-0.2 0.897 108.4 52.9 -50.5 -43.6 109.7 41.4 22.7 64 64 A E H X S+ 0 0 63 -4,-3.0 4,-4.0 1,-0.2 5,-0.3 0.971 108.7 50.4 -53.5 -55.1 106.5 43.3 22.1 65 65 A K H X S+ 0 0 109 -4,-3.4 4,-0.7 1,-0.3 -2,-0.2 0.928 112.0 45.1 -45.2 -60.5 108.5 46.4 22.2 66 66 A L H >X S+ 0 0 1 -4,-2.9 4,-1.5 1,-0.2 3,-1.3 0.933 114.8 51.3 -51.8 -47.1 111.1 45.1 19.7 67 67 A F H 3X S+ 0 0 2 -4,-3.9 4,-3.0 -5,-0.3 -2,-0.2 0.950 96.1 65.2 -57.3 -52.9 108.2 43.8 17.7 68 68 A N H 3X S+ 0 0 86 -4,-4.0 4,-1.3 1,-0.3 -1,-0.3 0.678 105.4 50.4 -45.9 -17.6 106.4 47.1 17.6 69 69 A Q H < S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 7,-0.5 0.953 111.7 46.9 -52.0 -61.6 104.0 48.7 2.4 79 79 A L H 3< S+ 0 0 56 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.781 108.8 55.0 -57.5 -28.7 103.2 52.3 2.0 80 80 A R H 3< S+ 0 0 184 -4,-1.8 2,-0.6 -5,-0.3 -1,-0.3 0.830 93.4 88.3 -73.9 -25.8 106.4 52.9 -0.0 81 81 A N S S+ 0 0 93 -5,-0.2 4,-0.6 2,-0.1 -1,-0.2 0.859 117.1 39.7 -98.1 -46.2 101.1 48.1 -5.2 84 84 A L H > S+ 0 0 0 -6,-0.3 4,-2.9 1,-0.1 5,-0.2 0.725 101.8 73.1 -73.1 -33.8 100.5 47.5 -1.5 85 85 A K H X S+ 0 0 88 -4,-2.9 4,-2.4 -7,-0.5 5,-0.3 0.961 92.8 48.0 -51.5 -65.9 99.8 51.1 -0.5 86 86 A P H > S+ 0 0 49 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.910 116.1 48.4 -41.5 -53.2 96.3 51.6 -2.0 87 87 A V H >X S+ 0 0 0 -4,-0.6 4,-2.1 1,-0.2 3,-0.8 0.958 107.0 53.6 -52.1 -59.7 95.3 48.3 -0.4 88 88 A Y H 3< S+ 0 0 33 -4,-2.9 -1,-0.2 1,-0.3 -3,-0.1 0.880 110.2 49.3 -42.9 -47.0 96.8 49.1 3.0 89 89 A D H 3< S+ 0 0 74 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.826 108.6 50.6 -64.8 -37.7 94.8 52.3 3.1 90 90 A S H << S+ 0 0 35 -4,-1.6 -1,-0.2 -3,-0.8 -2,-0.2 0.868 97.4 94.2 -68.1 -37.4 91.5 50.7 2.1 91 91 A L S < S- 0 0 8 -4,-2.1 2,-0.2 -5,-0.1 31,-0.0 0.029 70.3-128.7 -56.3 157.1 91.8 48.0 4.8 92 92 A D > - 0 0 57 1,-0.0 4,-3.1 0, 0.0 5,-0.3 -0.566 43.1 -86.3-100.1 166.2 90.5 47.9 8.4 93 93 A A H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.868 125.7 41.8 -40.4 -59.6 92.7 47.2 11.4 94 94 A V H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.948 114.5 49.0 -56.5 -58.5 92.4 43.5 11.3 95 95 A R H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 110.3 52.5 -52.1 -42.9 92.8 43.1 7.6 96 96 A R H X S+ 0 0 71 -4,-3.1 4,-3.4 1,-0.3 5,-0.3 0.950 108.2 53.1 -56.5 -45.9 95.8 45.4 7.7 97 97 A A H X S+ 0 0 6 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.3 0.894 106.0 51.1 -52.4 -47.6 97.2 43.1 10.3 98 98 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.887 112.0 48.4 -60.1 -40.2 96.6 40.1 8.1 99 99 A L H X S+ 0 0 2 -4,-2.2 4,-3.6 2,-0.2 5,-0.3 0.913 109.7 50.8 -64.0 -47.4 98.5 41.9 5.3 100 100 A I H X S+ 0 0 6 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.877 107.5 56.6 -60.6 -33.9 101.3 42.8 7.7 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.962 110.6 41.4 -58.4 -55.1 101.3 39.1 8.6 102 102 A M H >X S+ 0 0 5 -4,-2.1 4,-2.9 1,-0.2 3,-1.2 0.954 114.0 52.6 -58.7 -49.5 101.9 38.1 5.1 103 103 A V H 3X S+ 0 0 11 -4,-3.6 4,-2.1 1,-0.3 -1,-0.2 0.874 106.6 54.9 -52.0 -41.2 104.4 40.9 4.5 104 104 A F H 3< S+ 0 0 47 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.791 114.2 40.2 -63.8 -30.3 106.2 39.7 7.5 105 105 A Q H << S+ 0 0 54 -4,-1.3 -2,-0.2 -3,-1.2 -1,-0.2 0.752 130.2 19.1 -97.2 -25.4 106.5 36.2 6.1 106 106 A M H X S- 0 0 55 -4,-2.9 4,-0.7 -5,-0.2 -3,-0.2 0.521 105.5-109.3-124.8 2.5 107.2 36.7 2.5 107 107 A G H X - 0 0 32 -4,-2.1 4,-2.1 -5,-0.4 5,-0.3 0.108 36.5 -78.7 89.6 156.4 108.5 40.2 2.2 108 108 A E H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.866 130.9 52.5 -59.3 -32.9 106.9 43.3 0.7 109 109 A T H > S+ 0 0 117 2,-0.2 4,-1.0 3,-0.1 -1,-0.2 0.957 109.6 46.8 -64.7 -54.3 107.9 42.0 -2.7 110 110 A G H >X S+ 0 0 27 -4,-0.7 3,-3.5 1,-0.2 4,-0.5 0.992 113.4 46.6 -53.0 -70.1 106.3 38.6 -2.3 111 111 A V H >< S+ 0 0 2 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.893 107.4 62.1 -39.2 -45.4 103.1 39.9 -0.9 112 112 A A H 3< S+ 0 0 11 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.725 87.9 73.1 -52.6 -29.5 103.3 42.4 -3.8 113 113 A G H << S+ 0 0 53 -3,-3.5 2,-1.9 -4,-1.0 -1,-0.3 0.683 71.8 90.2 -63.3 -20.8 103.1 39.6 -6.4 114 114 A F S+ 0 0 75 -2,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.927 70.3 39.5 -57.9 -58.6 97.8 41.0 -8.3 116 116 A N H > S+ 0 0 74 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.906 113.3 55.2 -54.5 -54.7 94.2 39.9 -8.2 117 117 A S H > S+ 0 0 4 1,-0.2 4,-3.9 2,-0.2 5,-0.3 0.933 109.0 46.4 -47.1 -54.5 94.0 39.4 -4.6 118 118 A L H X S+ 0 0 11 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.931 113.9 50.1 -57.3 -45.4 95.2 42.9 -3.8 119 119 A R H >X S+ 0 0 133 -4,-2.3 4,-1.8 -5,-0.2 3,-0.8 0.985 112.7 44.6 -52.6 -70.7 92.7 44.2 -6.4 120 120 A M H 3<>S+ 0 0 13 -4,-3.3 5,-2.7 1,-0.3 4,-0.3 0.845 114.0 51.4 -40.6 -48.3 89.8 42.2 -4.9 121 121 A L H ><5S+ 0 0 3 -4,-3.9 3,-1.8 -5,-0.3 -1,-0.3 0.923 106.1 54.5 -58.4 -43.8 90.9 43.2 -1.4 122 122 A Q H <<5S+ 0 0 80 -4,-3.2 -1,-0.3 -3,-0.8 -2,-0.2 0.857 109.5 48.8 -56.3 -36.3 91.0 46.8 -2.5 123 123 A Q T 3<5S- 0 0 94 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.382 120.0-107.6 -87.4 2.1 87.4 46.4 -3.7 124 124 A K T < 5S+ 0 0 119 -3,-1.8 2,-1.1 -4,-0.3 3,-0.3 0.694 74.3 137.7 80.7 20.0 86.2 44.8 -0.5 125 125 A R >< + 0 0 98 -5,-2.7 4,-2.8 1,-0.2 3,-0.3 -0.396 17.7 159.4 -95.7 57.6 85.8 41.3 -1.9 126 126 A W H > + 0 0 50 -2,-1.1 4,-2.9 1,-0.2 -1,-0.2 0.892 70.0 50.9 -40.0 -56.7 87.4 39.9 1.2 127 127 A a H > S+ 0 0 56 -3,-0.3 4,-2.6 27,-0.2 -1,-0.2 0.875 111.4 43.2 -54.4 -46.3 85.8 36.6 0.5 128 128 A E H > S+ 0 0 90 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.846 111.7 55.5 -67.5 -38.8 86.9 36.2 -3.1 129 129 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 5,-0.2 0.978 109.7 46.6 -53.7 -57.9 90.3 37.4 -2.2 130 130 A A H >X S+ 0 0 6 -4,-2.9 4,-2.0 1,-0.3 3,-0.8 0.935 111.7 50.4 -47.4 -55.5 90.5 34.7 0.4 131 131 A V H 3X S+ 0 0 86 -4,-2.6 4,-0.7 1,-0.3 -1,-0.3 0.880 110.6 53.2 -50.8 -39.7 89.2 32.2 -2.1 132 132 A N H 3< S+ 0 0 37 -4,-2.6 3,-0.3 -3,-0.2 -1,-0.3 0.832 106.1 48.5 -69.1 -34.4 91.9 33.4 -4.4 133 133 A L H << S+ 0 0 4 -4,-1.8 6,-0.6 -3,-0.8 -1,-0.2 0.756 97.5 71.3 -78.7 -22.3 94.8 33.0 -2.0 134 134 A A H < S+ 0 0 31 -4,-2.0 2,-1.4 1,-0.3 -1,-0.2 0.844 91.9 62.4 -57.4 -35.5 93.7 29.5 -1.2 135 135 A K S < S+ 0 0 142 -4,-0.7 2,-0.3 -3,-0.3 -1,-0.3 -0.603 89.1 91.0 -93.9 74.7 94.8 28.8 -4.7 136 136 A S S > S- 0 0 27 -2,-1.4 4,-2.1 -3,-0.2 5,-0.2 -0.964 84.8-110.3-162.0 154.7 98.5 29.6 -4.3 137 137 A R H > S+ 0 0 206 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.875 117.9 60.2 -55.1 -41.0 101.7 27.9 -3.4 138 138 A W H >> S+ 0 0 16 2,-0.3 4,-2.0 1,-0.3 3,-1.1 0.963 102.0 49.0 -50.2 -62.0 101.7 29.8 -0.2 139 139 A Y H 34 S+ 0 0 54 -6,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.936 117.7 43.9 -46.6 -45.4 98.4 28.4 0.8 140 140 A N H 3< S+ 0 0 112 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.3 0.678 111.6 52.5 -76.6 -15.3 100.0 25.0 0.0 141 141 A Q H << S+ 0 0 144 -4,-1.9 -2,-0.2 -3,-1.1 -1,-0.2 0.887 127.2 13.4 -89.8 -36.0 103.3 25.6 1.6 142 142 A T S X S+ 0 0 55 -4,-2.0 4,-2.5 -5,-0.1 3,-0.3 -0.687 75.5 167.5-138.4 66.6 102.3 26.8 5.2 143 143 A P H > + 0 0 45 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.856 66.9 60.3 -53.0 -45.7 98.8 25.8 5.2 144 144 A N H > S+ 0 0 112 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.914 113.9 36.3 -55.2 -43.8 98.1 26.2 8.9 145 145 A R H > S+ 0 0 21 -3,-0.3 4,-3.3 2,-0.2 5,-0.3 0.933 113.9 56.1 -69.7 -55.0 99.1 29.9 8.8 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.895 104.4 55.3 -46.3 -46.7 97.6 30.6 5.5 147 147 A K H X S+ 0 0 82 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.934 110.5 43.2 -57.5 -48.8 94.3 29.4 6.7 148 148 A R H X S+ 0 0 67 -4,-1.2 4,-1.8 -5,-0.2 -1,-0.2 0.928 116.7 46.3 -62.8 -47.2 94.1 31.7 9.5 149 149 A V H X S+ 0 0 0 -4,-3.3 4,-1.8 2,-0.2 -2,-0.2 0.900 114.1 50.2 -60.0 -40.2 95.3 34.6 7.5 150 150 A I H X S+ 0 0 18 -4,-3.4 4,-1.8 -5,-0.3 3,-0.2 0.938 110.2 47.7 -61.2 -51.7 92.9 33.7 4.8 151 151 A T H X S+ 0 0 53 -4,-2.8 4,-3.9 -5,-0.3 5,-0.5 0.833 107.3 60.1 -62.0 -31.3 90.0 33.4 7.1 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.936 102.0 49.4 -66.9 -39.3 91.0 36.6 8.5 153 153 A F H < S+ 0 0 0 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.879 117.0 44.8 -66.1 -32.8 90.7 38.5 5.3 154 154 A a H < S+ 0 0 45 -4,-1.8 -27,-0.2 -5,-0.1 -2,-0.2 0.945 124.7 28.6 -75.2 -51.3 87.3 36.9 4.9 155 155 A T H < S- 0 0 58 -4,-3.9 -3,-0.2 -5,-0.2 -2,-0.2 0.912 81.5-148.4 -81.7 -39.7 86.0 37.4 8.4 156 156 A G < + 0 0 18 -4,-2.5 2,-0.3 -5,-0.5 -62,-0.2 0.819 66.0 98.3 74.2 30.0 87.8 40.5 9.5 157 157 A T S S- 0 0 44 -6,-0.2 3,-0.4 -5,-0.1 -1,-0.3 -0.803 84.8-115.4-133.7 177.9 87.7 39.2 13.1 158 158 A W S >> S+ 0 0 56 -2,-0.3 3,-3.9 1,-0.2 4,-1.1 0.266 76.1 123.9 -99.6 11.4 90.3 37.5 15.2 159 159 A D T 34 + 0 0 91 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.749 67.3 55.8 -36.3 -42.1 88.0 34.6 15.3 160 160 A A T 34 S+ 0 0 32 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.519 106.2 49.0 -72.9 -13.0 90.8 32.4 13.9 161 161 A Y T <4 0 0 18 -3,-3.9 -1,-0.2 -13,-0.1 -2,-0.2 0.687 360.0 360.0-103.7 -16.0 93.4 33.1 16.6 162 162 A K < 0 0 188 -4,-1.1 -3,-0.0 -3,-0.3 0, 0.0 -0.089 360.0 360.0 -49.7 360.0 91.2 32.5 19.6