==== 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) 24-MAR-95 171L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR D.HEINZ,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 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 . 9 5.6 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 . 1 0.6 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 . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 50.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.5 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 1 0 0 0 0 0 1 0 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 . 2 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 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 87 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 136.4 15.9 37.0 15.9 2 2 A N > - 0 0 64 1,-0.1 4,-3.3 95,-0.0 5,-0.2 -0.872 360.0 -87.9-149.3 177.4 16.4 40.0 13.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.7 2,-0.2 5,-0.4 0.964 122.6 51.5 -61.6 -51.9 14.8 42.2 11.3 4 4 A F H > S+ 0 0 76 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.914 115.8 44.0 -50.5 -44.5 15.8 40.1 8.3 5 5 A E H > S+ 0 0 93 2,-0.2 4,-2.7 1,-0.2 3,-0.5 0.968 111.2 53.8 -62.8 -50.6 14.3 37.1 10.1 6 6 A M H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.3 -2,-0.2 0.911 111.5 44.2 -47.7 -56.7 11.2 39.0 11.1 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-1.3 2,-0.2 5,-0.3 0.732 108.2 59.2 -65.7 -23.6 10.4 40.2 7.6 8 8 A R H >X S+ 0 0 107 -4,-1.1 4,-5.3 -3,-0.5 3,-1.5 0.993 109.0 44.5 -69.2 -44.6 11.1 36.8 6.3 9 9 A I H 3< S+ 0 0 85 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.868 115.9 46.9 -55.7 -45.9 8.4 35.5 8.5 10 10 A D H 3< S+ 0 0 18 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.603 133.2 14.7 -75.9 -12.8 6.2 38.3 7.6 11 11 A E H << S- 0 0 44 -3,-1.5 19,-0.5 -4,-1.3 -2,-0.2 0.526 87.8-167.9-133.8 -17.7 6.7 38.0 3.9 12 12 A G < - 0 0 14 -4,-5.3 2,-0.4 -5,-0.3 18,-0.2 0.346 33.0 -61.1 48.3-168.3 8.3 34.8 3.3 13 13 A L + 0 0 38 16,-0.2 2,-0.3 17,-0.1 16,-0.2 -0.891 45.6 163.8-116.9 144.4 9.9 33.8 0.1 14 14 A R - 0 0 136 -2,-0.4 14,-1.4 46,-0.1 4,-0.1 -0.931 19.8-162.4-151.3 124.1 8.6 33.3 -3.5 15 15 A L S S+ 0 0 59 -2,-0.3 43,-2.5 12,-0.2 2,-0.4 0.268 75.0 66.1 -95.2 11.8 10.8 33.1 -6.7 16 16 A K B S-A 57 0A 89 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.985 97.5 -91.7-136.8 136.2 7.8 33.8 -9.0 17 17 A I + 0 0 16 39,-1.8 2,-0.3 -2,-0.4 10,-0.2 -0.246 55.9 163.1 -51.5 120.4 5.7 36.8 -9.5 18 18 A Y B -B 26 0B 33 8,-2.2 8,-3.5 6,-0.1 2,-0.1 -0.923 35.1-112.4-132.7 163.7 2.7 36.5 -7.3 19 19 A K - 0 0 119 -2,-0.3 6,-0.2 6,-0.3 2,-0.1 -0.427 31.0-123.4 -92.9 166.6 0.1 39.0 -6.1 20 20 A D - 0 0 52 -2,-0.1 -1,-0.1 1,-0.1 5,-0.0 -0.476 33.4 -90.6-107.5-177.8 -0.2 40.1 -2.5 21 21 A T S S+ 0 0 116 1,-0.2 -1,-0.1 -2,-0.1 121,-0.1 0.988 133.7 43.7 -46.9 -59.5 -3.1 40.0 -0.0 22 22 A E S S- 0 0 54 1,-0.1 -1,-0.2 119,-0.1 -3,-0.0 0.907 127.6-101.0 -47.4 -54.4 -3.9 43.4 -1.4 23 23 A G S S+ 0 0 30 1,-0.2 2,-0.4 -5,-0.0 -1,-0.1 0.418 70.5 142.6 140.6 3.5 -3.4 42.4 -5.0 24 24 A Y - 0 0 68 -5,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.581 57.1-111.7 -89.1 132.4 0.0 43.7 -5.9 25 25 A Y E + C 0 34B 33 9,-0.9 8,-3.3 -2,-0.4 9,-1.2 -0.416 52.6 164.7 -61.8 112.9 2.5 42.0 -8.0 26 26 A T E -BC 18 32B 4 -8,-3.5 -8,-2.2 -2,-0.5 2,-0.3 -0.689 17.0-178.7-119.8 172.6 5.3 41.0 -5.7 27 27 A I E > + C 0 31B 0 4,-0.7 4,-2.4 -2,-0.2 -12,-0.2 -0.954 50.3 18.0-163.7 173.2 8.2 38.7 -5.8 28 28 A G T 4 S- 0 0 1 -14,-1.4 2,-1.7 -2,-0.3 -12,-0.1 -0.091 122.2 -20.6 53.2-157.2 11.0 37.6 -3.5 29 29 A I T 4 S- 0 0 7 34,-0.4 -17,-0.2 1,-0.2 -1,-0.2 -0.598 128.7 -43.3 -84.3 73.7 10.6 38.3 0.2 30 30 A G T 4 S+ 0 0 13 -2,-1.7 2,-1.1 -19,-0.5 -1,-0.2 0.779 85.0 156.6 76.2 34.1 8.0 41.0 -0.1 31 31 A H E < -C 27 0B 38 -4,-2.4 -4,-0.7 -20,-0.1 -1,-0.2 -0.719 36.9-139.5 -98.6 97.1 9.4 43.1 -2.9 32 32 A L E -C 26 0B 62 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.187 17.5-172.3 -54.6 127.5 6.5 45.0 -4.4 33 33 A L E - 0 0 18 -8,-3.3 2,-0.2 1,-0.3 -7,-0.2 0.797 57.6 -37.1 -90.4 -36.7 6.9 45.0 -8.1 34 34 A T E -C 25 0B 36 -9,-1.2 -9,-0.9 1,-0.1 -1,-0.3 -0.824 35.4-125.3 172.6 145.7 4.1 47.5 -9.1 35 35 A K S S+ 0 0 150 -2,-0.2 -1,-0.1 -11,-0.2 7,-0.0 0.576 78.1 109.5 -80.9 -4.2 0.6 48.6 -8.3 36 36 A S S S- 0 0 35 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.432 73.4-134.5 -77.6 141.6 -0.5 48.0 -11.9 37 37 A P S S+ 0 0 116 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.724 77.3 111.8 -59.5 -25.2 -2.8 45.2 -12.8 38 38 A S > - 0 0 49 1,-0.2 4,-1.9 2,-0.1 -2,-0.1 -0.408 49.1-173.5 -63.5 118.6 -0.4 44.6 -15.5 39 39 A L H > S+ 0 0 54 -2,-0.4 4,-4.0 2,-0.3 5,-0.4 0.938 94.7 58.8 -71.6 -43.1 1.6 41.6 -15.3 40 40 A N H > S+ 0 0 119 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.868 106.2 51.9 -52.5 -27.7 3.4 42.9 -18.3 41 41 A A H > S+ 0 0 32 2,-0.2 4,-3.0 3,-0.2 -1,-0.3 0.863 112.8 41.4 -75.2 -38.4 4.1 45.8 -15.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 -3,-0.3 5,-0.2 0.946 111.6 54.2 -75.7 -42.4 5.5 43.6 -13.2 43 43 A K H X S+ 0 0 53 -4,-4.0 4,-1.9 1,-0.2 13,-0.2 0.932 113.9 47.1 -48.9 -42.2 7.4 41.4 -15.6 44 44 A S H X S+ 0 0 74 -4,-1.6 4,-1.5 -5,-0.4 5,-0.2 0.969 109.9 48.6 -59.7 -61.1 8.8 44.8 -16.7 45 45 A A H X S+ 0 0 16 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.943 111.4 53.6 -43.6 -60.1 9.6 46.1 -13.3 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.2 5,-0.2 0.896 107.6 46.0 -38.1 -68.9 11.3 42.7 -12.4 47 47 A D H >X>S+ 0 0 34 -4,-1.9 4,-2.9 1,-0.2 3,-0.9 0.939 112.9 50.7 -41.3 -71.7 13.8 42.5 -15.2 48 48 A K H 3<5S+ 0 0 169 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.732 112.5 47.7 -28.0 -57.8 14.8 46.1 -14.8 49 49 A A H 3<5S+ 0 0 43 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.847 118.0 41.6 -53.3 -51.3 15.3 45.4 -11.0 50 50 A I H <<5S- 0 0 35 -4,-3.3 -2,-0.2 -3,-0.9 -3,-0.2 0.883 102.7-120.4 -74.6 -41.9 17.3 42.3 -11.7 51 51 A G T <5S+ 0 0 73 -4,-2.9 2,-0.3 1,-0.4 -3,-0.2 0.453 81.0 54.9 112.1 2.7 19.5 43.1 -14.5 52 52 A R S - 0 0 10 -2,-0.4 3,-2.9 -11,-0.2 -1,-0.1 0.482 36.7-140.0-128.9 -9.8 13.6 36.7 -16.1 55 55 A N T 3 S- 0 0 126 1,-0.3 -12,-0.1 -12,-0.1 3,-0.1 0.604 80.3 -54.3 54.6 9.2 10.3 35.8 -17.6 56 56 A G T 3 S+ 0 0 0 1,-0.2 -39,-1.8 -13,-0.2 2,-0.4 0.472 117.3 102.5 103.7 8.7 9.0 36.4 -14.0 57 57 A V B < +A 16 0A 66 -3,-2.9 2,-0.3 -41,-0.2 -1,-0.2 -0.981 40.5 170.7-132.5 142.7 11.4 34.1 -12.2 58 58 A I - 0 0 6 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.848 28.9 -89.2-138.6 178.3 14.5 34.5 -10.1 59 59 A T > - 0 0 63 -2,-0.3 4,-3.1 1,-0.1 5,-0.3 -0.304 32.9-113.8 -94.9 161.7 17.0 32.9 -7.8 60 60 A K H > S+ 0 0 89 1,-0.3 4,-2.7 2,-0.2 -1,-0.1 0.908 122.0 46.0 -54.4 -40.5 17.1 32.4 -4.3 61 61 A D H > S+ 0 0 124 2,-0.2 4,-1.3 3,-0.2 -1,-0.3 0.782 110.4 51.7 -72.7 -36.4 20.1 34.8 -4.3 62 62 A E H >> S+ 0 0 40 2,-0.2 3,-2.4 1,-0.2 4,-2.0 0.992 113.3 45.3 -66.2 -57.3 18.5 37.3 -6.5 63 63 A A H 3X S+ 0 0 1 -4,-3.1 4,-1.9 1,-0.3 -34,-0.4 0.864 114.7 49.2 -40.2 -54.0 15.5 37.3 -4.2 64 64 A E H 3X S+ 0 0 74 -4,-2.7 4,-0.9 -5,-0.3 -1,-0.3 0.655 109.1 53.9 -64.8 -16.7 17.9 37.5 -1.2 65 65 A K H XX S+ 0 0 129 -3,-2.4 4,-1.4 -4,-1.3 3,-0.5 0.967 107.0 47.6 -81.2 -49.3 19.8 40.3 -2.9 66 66 A L H 3X S+ 0 0 4 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.861 107.7 60.4 -50.7 -41.9 16.7 42.5 -3.4 67 67 A F H 3X S+ 0 0 9 -4,-1.9 4,-2.4 -5,-0.4 -1,-0.2 0.894 100.4 53.0 -58.4 -36.6 15.8 41.8 0.2 68 68 A N H X S+ 0 0 75 -4,-2.7 4,-4.0 2,-0.2 3,-2.0 0.973 110.6 50.8 -47.6 -68.0 18.4 49.1 3.6 73 73 A A H 3X S+ 0 0 47 -4,-2.2 4,-4.0 1,-0.3 5,-0.4 0.925 107.9 54.8 -28.3 -76.7 16.3 51.6 1.8 74 74 A A H 3X S+ 0 0 10 -4,-2.2 4,-1.1 1,-0.3 -1,-0.3 0.726 114.4 38.7 -32.7 -39.6 13.8 51.2 4.5 75 75 A V H < S+ 0 0 0 -4,-1.1 3,-0.8 -5,-0.4 7,-0.4 0.901 109.8 45.8 -61.6 -41.7 14.0 56.0 8.3 79 79 A L H 3< S+ 0 0 84 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.858 105.2 60.6 -71.7 -34.3 17.2 58.1 8.9 80 80 A R T 3< S+ 0 0 160 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.2 0.006 92.1 86.3 -80.7 28.3 16.4 60.7 6.2 81 81 A N <> - 0 0 24 -3,-0.8 4,-2.6 1,-0.1 3,-0.3 -0.782 58.8-160.2-150.4 109.5 13.2 61.7 8.0 82 82 A A T 4 S+ 0 0 84 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.562 98.0 54.8 -47.3 -28.6 12.7 64.3 10.7 83 83 A K T 4 S+ 0 0 139 2,-0.1 4,-0.3 3,-0.1 -1,-0.3 0.980 117.9 30.4 -77.0 -50.5 9.5 62.7 11.5 84 84 A L T >> S+ 0 0 0 -3,-0.3 3,-2.1 -7,-0.2 4,-1.9 0.862 105.9 67.9 -71.8 -48.4 10.9 59.2 12.0 85 85 A K H 3X S+ 0 0 97 -4,-2.6 4,-2.2 -7,-0.4 5,-0.6 0.943 94.2 56.2 -44.9 -68.6 14.5 59.6 13.3 86 86 A P H 3> S+ 0 0 51 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.766 112.0 48.4 -29.6 -39.1 13.7 61.0 16.6 87 87 A V H X> S+ 0 0 2 -3,-2.1 4,-1.9 -4,-0.3 3,-0.7 0.982 109.9 47.4 -68.6 -63.6 11.5 57.8 17.1 88 88 A Y H >< S+ 0 0 41 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.945 111.1 51.0 -38.9 -64.6 13.9 55.3 16.1 89 89 A D H 3< S+ 0 0 73 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.846 109.0 54.5 -55.7 -22.5 16.6 56.9 18.2 90 90 A S H << S+ 0 0 35 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.874 97.3 94.0 -74.2 -29.7 14.2 56.8 21.0 91 91 A L S << S- 0 0 4 -4,-1.9 2,-0.1 -3,-1.3 31,-0.0 -0.138 72.6-119.9 -73.5 151.5 13.6 53.0 20.6 92 92 A D > - 0 0 54 1,-0.1 4,-3.9 4,-0.0 5,-0.3 -0.437 42.9-101.2 -78.5 166.4 14.9 49.9 22.1 93 93 A A H > S+ 0 0 77 2,-0.2 4,-0.6 1,-0.2 -1,-0.1 0.789 122.6 49.2 -56.7 -37.2 16.5 47.5 19.7 94 94 A V H > S+ 0 0 30 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.928 116.1 44.0 -71.8 -43.3 13.5 45.2 19.5 95 95 A R H > S+ 0 0 27 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.843 105.1 60.6 -74.0 -32.2 11.2 48.2 18.9 96 96 A R H X S+ 0 0 85 -4,-3.9 4,-2.5 1,-0.2 -1,-0.3 0.883 105.4 54.1 -62.5 -19.6 13.6 49.7 16.4 97 97 A A H X S+ 0 0 8 -4,-0.6 4,-0.7 -3,-0.4 -2,-0.2 0.913 104.8 48.3 -79.9 -37.8 13.0 46.5 14.6 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-1.5 1,-0.2 3,-0.5 0.886 111.7 52.2 -69.1 -38.3 9.2 46.7 14.5 99 99 A L H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 3,-0.4 0.962 103.0 56.4 -63.7 -44.3 9.5 50.2 13.3 100 100 A I H X S+ 0 0 13 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.774 107.8 54.1 -53.4 -20.0 11.9 49.1 10.5 101 101 A N H X S+ 0 0 0 -4,-0.7 4,-3.8 -3,-0.5 -1,-0.2 0.948 102.0 51.0 -70.6 -60.8 9.1 46.8 9.5 102 102 A M H X>S+ 0 0 5 -4,-1.5 4,-3.0 -3,-0.4 5,-0.7 0.866 113.4 47.8 -45.2 -50.7 6.4 49.2 9.2 103 103 A V H X5S+ 0 0 5 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.850 111.1 52.0 -64.1 -39.1 8.7 51.3 6.9 104 104 A F H <5S+ 0 0 25 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.970 116.7 39.9 -62.7 -50.6 9.6 48.2 4.9 105 105 A Q H <5S+ 0 0 58 -4,-3.8 -2,-0.2 1,-0.1 -3,-0.2 0.992 135.4 11.9 -63.1 -68.1 6.0 47.4 4.4 106 106 A M H <5S- 0 0 61 -4,-3.0 4,-0.5 1,-0.1 -3,-0.2 0.740 103.5-120.3 -86.9 -29.0 4.4 50.9 3.8 107 107 A G X< - 0 0 24 -5,-0.7 4,-2.2 -4,-0.6 5,-0.4 -0.002 32.4 -64.7 106.1 156.5 7.3 53.2 3.2 108 108 A E H > S+ 0 0 45 1,-0.2 4,-2.3 -5,-0.2 5,-0.2 0.871 130.7 45.7 -32.0 -63.6 8.9 56.3 4.6 109 109 A T H > S+ 0 0 126 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.918 108.8 50.4 -48.1 -66.2 5.9 58.4 3.7 110 110 A G H 4 S+ 0 0 30 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.810 117.3 41.6 -52.2 -38.8 2.9 56.2 4.9 111 111 A V H >< S+ 0 0 2 -4,-2.2 3,-2.5 2,-0.2 -1,-0.3 0.818 104.0 60.2 -83.7 -32.5 4.5 55.8 8.3 112 112 A A H 3< S+ 0 0 10 -4,-2.3 3,-0.2 -5,-0.4 -2,-0.2 0.945 99.9 69.6 -56.3 -36.4 5.7 59.3 8.8 113 113 A G T 3< S+ 0 0 57 -4,-2.6 -1,-0.3 -5,-0.2 3,-0.2 0.410 71.8 84.1 -55.7 2.4 1.9 59.6 8.4 114 114 A F <> + 0 0 42 -3,-2.5 4,-2.1 1,-0.2 3,-0.4 -0.155 57.2 167.0-106.3 46.4 1.0 58.0 11.8 115 115 A T H > + 0 0 98 1,-0.3 4,-1.6 -3,-0.2 -1,-0.2 0.778 67.7 39.9 -19.2 -74.4 1.4 61.2 13.5 116 116 A N H >> S+ 0 0 73 -3,-0.2 4,-2.4 2,-0.2 3,-1.0 0.935 115.7 49.1 -54.8 -52.8 -0.2 60.2 16.8 117 117 A S H >> S+ 0 0 3 -3,-0.4 4,-3.5 1,-0.3 3,-0.6 0.972 106.8 54.9 -50.8 -58.3 1.2 56.8 17.1 118 118 A L H 3X S+ 0 0 17 -4,-2.1 4,-1.7 1,-0.3 -1,-0.3 0.781 111.8 48.8 -39.7 -29.4 4.7 57.9 16.4 119 119 A R H S+ 0 0 16 -4,-2.4 5,-3.0 -3,-0.6 4,-1.0 0.873 109.4 55.0 -62.4 -36.3 2.8 57.7 21.6 121 121 A L H ><5S+ 0 0 5 -4,-3.5 3,-1.3 -5,-0.3 -2,-0.2 0.982 110.2 44.0 -59.0 -54.7 5.8 55.6 20.7 122 122 A Q H 3<5S+ 0 0 100 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.759 111.5 53.5 -58.8 -29.9 8.3 58.3 21.7 123 123 A Q H 3<5S- 0 0 83 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.710 115.9-123.1 -79.5 -16.8 6.4 59.1 24.9 124 124 A K T <<5 + 0 0 104 -3,-1.3 2,-1.6 -4,-1.0 -3,-0.2 0.735 60.1 150.7 77.6 28.9 6.7 55.4 25.5 125 125 A R >< + 0 0 112 -5,-3.0 4,-3.2 1,-0.2 5,-0.4 -0.552 14.3 169.8 -88.8 71.3 2.9 54.9 25.7 126 126 A W H > S+ 0 0 44 -2,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.897 71.7 44.7 -48.6 -51.5 3.0 51.3 24.5 127 127 A D H >> S+ 0 0 111 -3,-0.2 4,-1.1 2,-0.2 3,-0.5 0.993 115.2 46.4 -58.4 -67.8 -0.5 50.4 25.3 128 128 A E H 3> S+ 0 0 105 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.863 112.3 49.2 -38.6 -61.1 -2.0 53.5 23.9 129 129 A A H 3X S+ 0 0 0 -4,-3.2 4,-3.9 1,-0.2 5,-0.3 0.945 104.4 65.3 -45.8 -45.9 -0.0 53.5 20.7 130 130 A A H < S+ 0 0 49 -4,-2.3 3,-1.7 -5,-0.4 -1,-0.3 0.965 108.5 48.0 -63.0 -47.0 -4.0 53.8 18.1 133 133 A L H 3< S+ 0 0 2 -4,-3.9 6,-0.3 1,-0.3 -2,-0.3 0.866 98.5 73.6 -56.9 -38.9 -2.1 51.6 15.8 134 134 A A T 3< S+ 0 0 25 -4,-2.5 2,-0.5 -5,-0.3 -1,-0.3 0.488 91.2 55.7 -57.4 -16.4 -5.1 49.3 15.8 135 135 A K S < S+ 0 0 150 -3,-1.7 2,-0.2 -4,-0.3 3,-0.1 -0.968 74.7 97.6-125.5 108.9 -7.3 51.5 13.5 136 136 A S S > S- 0 0 26 -2,-0.5 4,-0.8 1,-0.2 5,-0.1 -0.585 90.3 -92.4 174.6 122.6 -5.8 52.5 10.2 137 137 A R T >4 S+ 0 0 162 -2,-0.2 3,-1.5 2,-0.1 5,-0.2 0.635 119.4 67.0 -10.9 -62.1 -6.3 51.0 6.8 138 138 A W G >> S+ 0 0 15 1,-0.3 3,-1.4 3,-0.2 4,-1.2 0.838 95.9 44.0 -24.5-109.4 -3.1 48.9 7.8 139 139 A Y G 34 S+ 0 0 54 -6,-0.3 -1,-0.3 1,-0.3 8,-0.2 0.569 120.3 43.9 -14.6 -36.3 -4.2 46.6 10.5 140 140 A N G << S+ 0 0 84 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 -0.327 114.7 49.0-120.1 47.4 -7.4 45.8 8.7 141 141 A Q T <4 S+ 0 0 79 -3,-1.4 -2,-0.2 -5,-0.1 -3,-0.2 0.213 134.7 10.6-146.2 -34.6 -5.7 45.4 5.4 142 142 A T S X S+ 0 0 26 -4,-1.2 4,-2.7 -5,-0.2 3,-0.4 -0.281 79.3 165.1-149.7 77.6 -2.9 43.0 6.8 143 143 A P H > + 0 0 46 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.670 68.1 54.2 -72.3 -27.9 -4.1 42.1 10.3 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.0 1,-0.2 -5,-0.1 0.983 115.1 43.8 -73.7 -36.3 -2.0 39.2 11.3 145 145 A R H >> S+ 0 0 21 -3,-0.4 4,-2.1 2,-0.2 3,-1.5 0.956 113.3 50.6 -59.9 -56.5 1.1 41.3 10.5 146 146 A A H 3X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.3 5,-0.4 0.957 108.6 53.8 -48.6 -49.2 -0.3 44.3 12.2 147 147 A K H 3X S+ 0 0 84 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.3 0.841 108.2 49.7 -60.8 -21.4 -1.0 42.2 15.1 148 148 A R H XX S+ 0 0 62 -3,-1.5 4,-2.5 -4,-1.0 3,-0.5 0.995 116.2 39.2 -74.0 -55.6 2.6 40.9 15.2 149 149 A V H 3X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.3 5,-0.2 0.814 112.8 55.6 -57.4 -43.9 4.3 44.2 15.0 150 150 A I H 3X S+ 0 0 16 -4,-3.2 4,-1.9 -5,-0.3 -1,-0.3 0.749 111.4 47.7 -64.0 -24.3 1.7 45.9 17.3 151 151 A T H S+ 0 0 34 -3,-0.5 4,-2.3 -4,-0.5 5,-0.6 0.946 108.5 51.2 -82.0 -45.2 2.6 43.2 19.7 152 152 A T H X5S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.869 113.5 47.1 -55.7 -39.4 6.4 43.8 19.2 153 153 A F H <5S+ 0 0 1 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.974 114.6 51.4 -67.3 -47.5 5.6 47.4 19.9 154 154 A R H <5S+ 0 0 102 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.923 123.5 19.1 -45.1 -78.7 3.6 46.3 22.9 155 155 A T H <5S- 0 0 49 -4,-2.3 -1,-0.2 2,-0.1 -3,-0.2 0.470 92.0-132.1 -78.3 -12.0 5.7 44.0 24.9 156 156 A G S < S+ 0 0 45 -2,-0.2 3,-2.6 1,-0.2 -6,-0.1 0.212 75.1 118.2-108.2 18.1 9.8 38.7 20.2 159 159 A D G > S+ 0 0 99 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.719 75.8 53.5 -53.4 -29.8 7.0 36.6 21.7 160 160 A A G 3 S+ 0 0 34 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.529 112.8 44.9 -84.5 -13.4 4.8 37.2 18.8 161 161 A Y G < 0 0 14 -3,-2.6 -2,-0.2 -13,-0.1 -1,-0.2 0.285 360.0 360.0-110.2 19.8 7.5 36.0 16.5 162 162 A K < 0 0 176 -3,-1.4 -2,-0.2 -161,-0.0 -3,-0.1 0.947 360.0 360.0-115.8 360.0 8.4 33.2 18.5