==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-MAY-11 3AYL . COMPND 2 MOLECULE: PRO-ENZYME OF L-PHENYLALANINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS; . AUTHOR H.SUZUKI . 1370 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 951 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 195 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 98 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 184 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 330 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.3 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 4 0 1 3 7 7 2 2 2 2 4 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 4 0 2 2 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 . 17 14 0 8 4 3 1 0 2 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 . 8 6 2 2 0 0 0 2 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 16 A K 0 0 250 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 33.6 109.2 72.2 81.6 2 17 A I - 0 0 112 1,-0.1 2,-0.3 2,-0.0 7,-0.0 -0.564 360.0-126.9 -81.2 130.8 109.9 68.6 82.3 3 18 A A - 0 0 7 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.607 24.4-177.4 -74.8 141.7 112.0 67.8 85.4 4 19 A T + 0 0 74 -2,-0.3 143,-1.8 1,-0.1 2,-0.3 0.485 59.6 40.1-121.2 -10.1 115.0 65.7 84.6 5 20 A T B > S-A 146 0A 31 141,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.937 82.5-108.8-135.6 162.2 116.6 65.1 88.1 6 21 A V H > S+ 0 0 0 139,-2.5 4,-3.0 -2,-0.3 137,-0.2 0.886 119.9 53.2 -52.0 -46.2 115.6 64.3 91.6 7 22 A G H > S+ 0 0 6 136,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.871 105.4 52.3 -63.2 -41.2 116.6 67.9 92.6 8 23 A E H > S+ 0 0 93 135,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.946 114.4 42.5 -61.7 -44.8 114.5 69.5 89.9 9 24 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.944 112.6 55.1 -62.7 -44.7 111.5 67.6 91.0 10 25 A R H < S+ 0 0 47 -4,-3.0 4,-0.4 1,-0.2 3,-0.3 0.906 110.7 43.8 -54.4 -50.1 112.3 68.3 94.7 11 26 A L H >< S+ 0 0 98 -4,-2.6 3,-0.6 1,-0.2 4,-0.3 0.807 105.5 63.9 -68.7 -30.2 112.5 72.1 94.2 12 27 A S H 3< S+ 0 0 38 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.905 115.8 28.1 -57.9 -41.0 109.4 72.1 92.1 13 28 A G T >< S+ 0 0 0 -4,-1.5 3,-0.9 115,-0.4 118,-0.4 0.278 86.3 108.7-104.7 8.8 107.2 70.9 95.0 14 29 A I T < S+ 0 0 43 -3,-0.6 14,-0.4 -4,-0.4 -1,-0.2 0.748 85.6 41.4 -62.3 -28.5 109.2 72.3 97.9 15 30 A N T 3 S+ 0 0 42 -4,-0.3 -1,-0.3 -3,-0.3 208,-0.1 0.592 83.2 121.8 -89.3 -17.9 106.6 74.9 98.7 16 31 A Y < - 0 0 7 -3,-0.9 2,-0.4 206,-0.2 10,-0.4 -0.272 38.9-169.4 -71.0 130.0 103.4 73.0 98.2 17 32 A R - 0 0 35 204,-1.7 5,-0.2 8,-0.2 8,-0.1 -0.938 19.3-130.2-113.2 130.2 101.0 72.8 101.1 18 33 A H > - 0 0 12 -2,-0.4 3,-1.9 6,-0.4 6,-0.2 -0.499 26.2-113.7 -80.1 153.9 98.0 70.5 101.1 19 34 A P G > S+ 0 0 1 0, 0.0 3,-0.5 0, 0.0 220,-0.2 0.716 115.1 52.1 -70.1 -21.5 94.6 72.0 102.0 20 35 A D G 3 S+ 0 0 9 1,-0.2 3,-0.0 2,-0.1 -2,-0.0 0.474 124.3 29.8 -86.1 -4.0 94.2 70.1 105.3 21 36 A S G X S+ 0 0 4 -3,-1.9 3,-1.8 3,-0.1 -3,-0.3 -0.269 76.3 147.9-144.4 50.0 97.7 71.2 106.4 22 37 A A T < + 0 0 0 -3,-0.5 -5,-0.1 1,-0.3 -2,-0.1 0.599 61.9 67.2 -73.8 -13.0 97.9 74.5 104.6 23 38 A L T 3 S+ 0 0 62 653,-0.2 2,-0.4 649,-0.1 -1,-0.3 0.464 101.1 49.6 -88.0 8.3 100.0 76.1 107.3 24 39 A V < - 0 0 12 -3,-1.8 2,-0.7 -6,-0.2 -6,-0.4 -0.992 62.0-147.0-149.8 137.2 103.1 74.0 106.6 25 40 A S >> - 0 0 8 -2,-0.4 4,-2.3 1,-0.2 3,-0.6 -0.899 21.5-151.1 -89.5 111.5 105.2 72.8 103.7 26 41 A Y H 3> S+ 0 0 6 -2,-0.7 4,-2.1 -10,-0.4 5,-0.2 0.887 93.3 56.0 -55.9 -40.8 106.2 69.4 104.8 27 42 A P H 34 S+ 0 0 7 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.871 108.8 48.4 -56.3 -38.5 109.6 69.5 102.9 28 43 A V H X4 S+ 0 0 64 -3,-0.6 3,-1.3 -14,-0.4 4,-0.5 0.932 110.7 49.8 -69.0 -44.4 110.5 72.7 104.7 29 44 A A H 3< S+ 0 0 2 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.833 112.6 49.2 -59.5 -33.5 109.6 71.1 108.1 30 45 A A T 3< S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.419 84.8 91.0 -85.5 -2.2 111.8 68.1 107.1 31 46 A A S < S+ 0 0 63 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.947 95.9 24.9 -64.4 -47.1 114.8 70.1 106.1 32 47 A A S S- 0 0 47 -4,-0.5 635,-0.1 -3,-0.3 30,-0.1 -0.650 113.2 -67.9-105.8 164.7 116.4 70.1 109.6 33 48 A P - 0 0 31 0, 0.0 -1,-0.2 0, 0.0 634,-0.2 -0.215 52.5-117.4 -49.9 147.7 115.9 67.5 112.4 34 49 A L - 0 0 0 25,-0.2 633,-2.5 632,-0.1 2,-0.3 0.728 69.7 -56.9 -70.4 -23.2 112.4 67.9 113.6 35 50 A G B -B 666 0B 3 631,-0.3 2,-0.3 635,-0.0 631,-0.2 -0.942 61.8 -67.8 177.1-157.5 113.3 68.9 117.2 36 51 A R - 0 0 131 629,-1.8 28,-0.1 -2,-0.3 27,-0.1 -0.952 27.7-150.9-129.9 146.2 115.1 68.0 120.3 37 52 A L - 0 0 15 -2,-0.3 3,-0.1 26,-0.2 622,-0.1 -0.869 29.0-106.2-110.1 150.3 114.8 65.3 122.9 38 53 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 29,-0.0 -0.294 55.0 -79.5 -62.3 156.1 115.8 65.4 126.5 39 54 A A S S+ 0 0 73 32,-0.1 2,-0.3 28,-0.1 31,-0.0 -0.277 80.5 105.5 -53.7 145.6 118.9 63.5 127.5 40 55 A G S S- 0 0 22 28,-0.2 32,-2.0 -3,-0.1 2,-0.6 -0.914 72.4 -94.4 159.9 172.8 118.2 59.8 127.9 41 56 A N E -c 72 0C 118 -2,-0.3 2,-0.2 30,-0.3 32,-0.2 -0.926 49.6-159.4-114.6 96.9 118.5 56.3 126.6 42 57 A Y E -c 73 0C 22 30,-2.5 32,-2.8 -2,-0.6 2,-0.6 -0.556 15.4-155.0 -89.3 148.1 115.2 55.8 124.7 43 58 A R E +c 74 0C 119 -2,-0.2 343,-2.5 30,-0.2 344,-1.2 -0.958 25.7 172.3-120.6 111.9 113.7 52.5 123.8 44 59 A I E -cd 75 387C 0 30,-3.1 32,-2.3 -2,-0.6 2,-0.4 -0.899 18.8-154.6-121.5 145.8 111.3 52.9 120.8 45 60 A A E -cd 76 388C 0 342,-1.8 344,-2.6 -2,-0.3 2,-0.5 -0.974 1.5-164.0-116.2 144.1 109.5 50.4 118.6 46 61 A I E -cd 77 389C 0 30,-2.5 32,-2.7 -2,-0.4 2,-0.8 -0.996 10.6-153.5-121.0 123.3 108.3 50.9 115.0 47 62 A V E +cd 78 390C 7 342,-2.9 344,-2.3 -2,-0.5 32,-0.1 -0.878 68.0 28.4 -98.1 108.3 105.7 48.4 113.8 48 63 A G - 0 0 7 30,-2.8 31,-0.2 -2,-0.8 30,-0.1 0.307 60.4-141.7 109.1 126.6 106.1 48.1 110.1 49 64 A G + 0 0 0 4,-0.1 36,-0.1 28,-0.1 37,-0.1 -0.226 63.8 110.0-110.2 44.4 109.0 48.5 107.7 50 65 A G S > S- 0 0 14 341,-0.4 4,-2.9 49,-0.1 5,-0.3 -0.171 92.6 -67.5 -96.2-166.8 107.2 50.2 104.8 51 66 A A H > S+ 0 0 9 48,-0.4 4,-2.2 1,-0.2 5,-0.2 0.882 133.8 48.9 -53.7 -44.3 107.6 53.8 103.7 52 67 A G H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.956 114.3 42.8 -63.2 -49.4 106.0 55.2 106.8 53 68 A G H > S+ 0 0 1 338,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.890 116.4 47.5 -67.3 -38.3 108.0 53.2 109.3 54 69 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.887 110.9 49.8 -74.2 -36.3 111.3 53.7 107.5 55 70 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.924 111.6 50.6 -62.3 -40.5 110.8 57.4 107.1 56 71 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.935 109.8 50.5 -61.4 -44.9 110.0 57.6 110.8 57 72 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.921 108.7 52.3 -57.9 -45.3 113.2 55.6 111.5 58 73 A Y H X S+ 0 0 20 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.926 109.9 47.6 -56.6 -48.0 115.2 58.1 109.4 59 74 A E H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.887 110.2 52.9 -65.0 -35.0 113.8 61.0 111.3 60 75 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.872 106.9 53.1 -62.9 -39.0 114.6 59.2 114.6 61 76 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.915 107.5 50.7 -60.1 -45.0 118.2 58.8 113.3 62 77 A R H < S+ 0 0 51 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.885 113.5 45.7 -61.1 -40.7 118.4 62.5 112.7 63 78 A L H >< S+ 0 0 1 -4,-1.9 3,-1.5 1,-0.2 4,-0.4 0.906 108.1 56.6 -64.9 -45.4 117.2 63.2 116.2 64 79 A A H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.872 99.2 60.1 -55.2 -40.9 119.5 60.6 117.7 65 80 A A T 3< S+ 0 0 41 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.699 101.8 55.3 -64.9 -19.9 122.5 62.4 116.2 66 81 A T T < S+ 0 0 46 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.498 84.5 106.7 -87.0 -7.6 121.6 65.5 118.2 67 82 A L S < S- 0 0 8 -3,-1.8 3,-0.1 -4,-0.4 -28,-0.1 -0.393 74.0-107.7 -74.6 154.4 121.6 63.8 121.5 68 83 A P > - 0 0 66 0, 0.0 3,-2.3 0, 0.0 -28,-0.2 -0.201 49.0 -69.2 -76.6 167.6 124.5 64.4 124.0 69 84 A A T 3 S+ 0 0 98 1,-0.3 3,-0.1 -30,-0.0 277,-0.0 -0.265 124.9 28.5 -53.9 134.5 127.2 62.0 124.9 70 85 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.267 104.7 96.9 95.9 -16.7 125.8 59.1 127.0 71 86 A S < + 0 0 14 -3,-2.3 -1,-0.3 -7,-0.1 2,-0.3 -0.669 42.6 141.2-100.5 161.4 122.3 59.4 125.3 72 87 A G E -c 41 0C 10 -32,-2.0 -30,-2.5 -2,-0.2 2,-0.4 -0.982 40.5-108.3-177.4 178.8 120.9 57.4 122.4 73 88 A I E -ce 42 347C 6 273,-2.8 275,-2.3 -2,-0.3 2,-0.5 -0.998 16.9-162.3-128.4 130.3 117.9 55.7 120.8 74 89 A D E -ce 43 348C 44 -32,-2.8 -30,-3.1 -2,-0.4 2,-0.5 -0.956 13.5-166.0-105.2 131.3 117.3 52.0 120.4 75 90 A V E -ce 44 349C 0 273,-2.8 275,-2.5 -2,-0.5 2,-0.6 -0.985 12.5-162.2-121.6 128.4 114.7 51.0 117.9 76 91 A Q E -ce 45 350C 20 -32,-2.3 -30,-2.5 -2,-0.5 2,-0.6 -0.927 15.1-160.1 -98.2 122.0 113.1 47.6 117.5 77 92 A I E -ce 46 351C 0 273,-2.7 275,-3.1 -2,-0.6 2,-0.5 -0.911 2.4-153.9-108.3 119.0 111.5 47.4 114.1 78 93 A Y E +ce 47 352C 2 -32,-2.7 -30,-2.8 -2,-0.6 2,-0.4 -0.807 18.5 171.7 -92.5 128.5 108.8 44.8 113.7 79 94 A E - 0 0 20 273,-2.7 276,-0.1 -2,-0.5 5,-0.1 -0.882 13.5-178.7-143.9 108.0 108.3 43.5 110.2 80 95 A A + 0 0 49 -2,-0.4 275,-0.1 273,-0.2 -1,-0.1 0.628 54.3 101.5 -77.5 -23.6 106.0 40.4 109.6 81 96 A D > - 0 0 37 1,-0.2 3,-1.9 273,-0.1 6,-0.2 -0.591 60.2-155.5 -72.7 118.1 106.4 40.2 105.8 82 97 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 14,-0.1 0.735 93.5 57.0 -64.6 -19.8 108.9 37.4 105.1 83 98 A D T 3 S+ 0 0 39 12,-0.1 15,-1.5 13,-0.1 13,-0.9 0.397 78.9 126.8 -91.2 0.1 109.7 39.1 101.8 84 99 A S B X -g 98 0D 1 -3,-1.9 3,-2.0 13,-0.2 15,-0.2 -0.281 69.2-126.4 -58.3 142.5 110.7 42.4 103.3 85 100 A F G > S+ 0 0 3 13,-2.6 3,-1.4 1,-0.3 -1,-0.1 0.769 106.9 73.0 -55.8 -21.7 114.1 43.8 102.4 86 101 A L G 3 S+ 0 0 11 12,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.733 97.0 46.8 -67.6 -21.8 114.7 44.0 106.1 87 102 A H G < S+ 0 0 51 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.264 100.0 68.0-103.6 7.1 115.1 40.2 106.3 88 103 A D < 0 0 73 -3,-1.4 -1,-0.2 1,-0.4 -2,-0.1 -0.252 360.0 360.0-116.3 40.7 117.4 39.9 103.3 89 104 A R 0 0 267 -3,-0.3 -1,-0.4 0, 0.0 7,-0.0 -0.552 360.0 360.0 72.5 360.0 120.4 41.7 104.9 90 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 91 109 A A 0 0 25 0, 0.0 17,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 153.5 111.1 32.7 87.4 92 110 A I E -I 107 0E 1 446,-2.5 2,-0.5 15,-0.2 15,-0.2 -0.976 360.0-163.7-126.7 113.4 109.7 35.5 89.5 93 111 A K E +I 106 0E 35 13,-2.9 13,-3.0 -2,-0.5 444,-0.0 -0.845 24.1 156.8 -98.4 132.7 111.6 36.5 92.6 94 112 A V > + 0 0 16 -2,-0.5 3,-2.4 11,-0.2 4,-0.2 0.492 36.8 117.2-122.1 -16.7 109.9 38.6 95.3 95 113 A R T 3 S+ 0 0 120 1,-0.3 -12,-0.1 2,-0.2 -11,-0.1 -0.365 91.8 3.4 -63.2 126.7 112.0 37.6 98.4 96 114 A G T 3 S+ 0 0 0 -13,-0.9 -1,-0.3 -2,-0.2 -12,-0.1 0.410 109.1 97.9 80.6 1.1 113.8 40.7 99.7 97 115 A L < + 0 0 11 -3,-2.4 7,-2.5 7,-0.2 2,-0.4 0.202 62.4 87.4-110.5 15.8 112.1 42.9 97.1 98 116 A K E +gH 84 103D 14 -15,-1.5 -13,-2.6 -4,-0.2 -12,-0.3 -0.913 37.1 174.8-117.6 143.8 109.3 44.3 99.2 99 117 A A E > S- H 0 102D 1 3,-3.1 3,-1.9 -2,-0.4 -48,-0.4 -0.745 73.5 -79.2-132.6 76.9 109.0 47.3 101.5 100 118 A G T 3 S- 0 0 25 1,-0.3 -1,-0.3 -2,-0.2 -50,-0.0 -0.446 114.7 -2.1 63.3-120.9 105.3 47.0 102.2 101 119 A R T 3 S+ 0 0 51 -2,-0.3 22,-1.9 -3,-0.1 2,-0.8 0.363 117.2 85.7 -87.6 5.4 103.4 48.3 99.3 102 120 A V E < S+H 99 0D 5 -3,-1.9 -3,-3.1 20,-0.2 2,-0.4 -0.936 70.7 162.9 -95.6 107.2 106.6 49.4 97.5 103 121 A S E -H 98 0D 2 -2,-0.8 18,-2.6 -5,-0.2 19,-0.9 -0.979 25.6-169.4-146.2 119.3 107.0 45.9 96.0 104 122 A A E - J 0 120E 0 -7,-2.5 2,-0.5 -2,-0.4 16,-0.2 -0.851 9.0-157.4-111.9 148.1 109.0 44.6 93.0 105 123 A A E - J 0 119E 0 14,-2.0 14,-2.8 -2,-0.3 2,-0.6 -0.994 15.7-147.4-121.6 121.9 109.0 41.2 91.3 106 124 A L E -IJ 93 118E 10 -13,-3.0 -13,-2.9 -2,-0.5 2,-0.5 -0.831 4.8-153.4 -95.4 118.1 112.2 40.3 89.5 107 125 A V E +IJ 92 117E 0 10,-2.7 9,-3.2 -2,-0.6 10,-1.0 -0.833 33.3 147.7 -92.3 123.3 111.7 38.2 86.3 108 126 A H - 0 0 11 -17,-2.5 7,-0.1 -2,-0.5 473,-0.0 -0.914 51.1-125.6-148.3 171.4 114.8 36.1 85.6 109 127 A N S S- 0 0 112 5,-0.4 6,-0.1 2,-0.4 -17,-0.1 -0.008 84.5 -52.6-115.7 29.6 115.9 32.8 84.2 110 128 A G S S+ 0 0 60 -19,-0.1 5,-0.1 0, 0.0 3,-0.1 0.071 125.3 73.6 131.4 -30.9 117.9 31.3 87.0 111 129 A D > - 0 0 94 3,-0.2 3,-2.3 1,-0.1 -2,-0.4 -0.920 58.2-167.1-114.6 103.4 120.4 34.0 87.8 112 130 A P T 3 S+ 0 0 49 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.702 87.1 64.9 -66.3 -19.0 118.7 36.9 89.6 113 131 A A T 3 S+ 0 0 96 1,-0.2 2,-0.1 -3,-0.1 -5,-0.0 0.523 106.3 45.7 -75.8 -6.6 121.7 39.2 89.1 114 132 A S S < S+ 0 0 83 -3,-2.3 -5,-0.4 388,-0.0 -3,-0.2 -0.562 86.7 165.5-132.0 61.6 121.0 38.9 85.3 115 133 A G - 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0 0 46 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.261 13.3-148.5 -68.1 158.5 84.6 77.1 94.0 209 227 A I B > S-V 212 0I 2 3,-2.5 3,-2.1 1,-0.1 30,-0.1 -0.995 90.0 -4.6-119.6 127.0 87.0 77.3 96.9 210 228 A A T 3 S- 0 0 25 -2,-0.4 -1,-0.1 28,-0.3 3,-0.1 0.882 131.0 -63.2 56.0 34.9 87.0 80.7 98.6 211 229 A N T 3 S+ 0 0 133 1,-0.2 2,-0.3 27,-0.1 -1,-0.3 0.592 119.8 93.0 68.3 10.9 84.6 81.8 95.7 212 230 A V B < S-V 209 0I 40 -3,-2.1 -3,-2.5 -5,-0.1 -1,-0.2 -0.848 86.2 -80.0-129.9 168.1 87.3 81.2 93.0 213 231 A D >> - 0 0 1 -2,-0.3 3,-1.6 -15,-0.2 4,-1.2 -0.314 40.3-118.6 -64.0 145.2 88.4 78.4 90.8 214 232 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 3,-0.3 0.868 112.4 66.5 -52.5 -34.8 90.5 75.6 92.4 215 233 A A H 3> S+ 0 0 15 -19,-2.4 4,-1.4 1,-0.2 -18,-0.1 0.860 99.5 51.6 -55.0 -36.7 93.3 76.5 89.9 216 234 A K H <> S+ 0 0 36 -3,-1.6 4,-1.0 -18,-0.3 -1,-0.2 0.868 110.2 47.7 -69.6 -36.2 93.6 79.8 91.7 217 235 A I H >X S+ 0 0 6 -4,-1.2 4,-2.7 -3,-0.3 3,-0.5 0.902 106.0 58.3 -72.0 -37.2 93.9 78.2 95.1 218 236 A A H 3X S+ 0 0 21 -4,-2.8 4,-1.6 1,-0.3 -1,-0.2 0.897 102.7 54.1 -58.0 -38.6 96.5 75.7 93.9 219 237 A A H 3< S+ 0 0 61 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.838 110.1 47.0 -65.4 -34.1 98.7 78.6 92.9 220 238 A I H X< S+ 0 0 56 -4,-1.0 3,-1.7 -3,-0.5 -2,-0.2 0.923 111.0 51.0 -70.1 -47.7 98.4 80.0 96.5 221 239 A L H 3< S+ 0 0 0 -4,-2.7 -204,-1.7 1,-0.3 -2,-0.2 0.771 117.3 41.2 -60.6 -28.6 99.2 76.6 98.0 222 240 A N T 3< S+ 0 0 50 -4,-1.6 -1,-0.3 -5,-0.2 -207,-0.2 0.270 86.1 142.2 -99.6 11.0 102.2 76.4 95.8 223 241 A A < - 0 0 21 -3,-1.7 -3,-0.1 1,-0.1 -4,-0.0 -0.271 55.8-141.3 -67.9 138.8 103.4 80.0 96.2 224 242 A A S S+ 0 0 84 1,-0.2 -1,-0.1 -208,-0.0 -4,-0.1 0.644 103.2 2.6 -68.8 -24.1 107.0 80.6 96.3 225 243 A T S S+ 0 0 127 -5,-0.1 -1,-0.2 -210,-0.0 3,-0.1 -0.216 85.0 175.1-147.9 94.0 105.8 83.2 99.0 226 244 A P - 0 0 29 0, 0.0 2,-0.8 0, 0.0 -6,-0.0 0.081 44.2 -79.6 -95.2 169.8 101.8 83.6 100.0 227 245 A P > - 0 0 85 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.569 29.2-147.3 -53.5 123.8 99.9 85.6 102.4 228 246 A A H > S+ 0 0 79 -2,-0.8 4,-2.3 2,-0.2 5,-0.2 0.893 104.9 56.0 -44.8 -45.8 100.3 83.9 105.7 229 247 A D H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.900 103.6 51.7 -65.9 -37.9 96.8 85.3 106.1 230 248 A A H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 110.2 48.9 -63.5 -43.1 95.6 83.6 102.9 231 249 A L H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.922 111.5 49.2 -61.1 -45.6 96.9 80.2 104.1 232 250 A E H X S+ 0 0 59 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.909 110.2 50.7 -60.8 -40.9 95.3 80.5 107.5 233 251 A R H X>S+ 0 0 80 -4,-2.4 5,-2.6 2,-0.2 4,-2.2 0.893 111.3 48.2 -70.1 -35.2 92.0 81.4 105.9 234 252 A I H <>S+ 0 0 4 -4,-2.3 5,-2.6 3,-0.2 -2,-0.2 0.953 115.3 46.3 -59.9 -49.5 92.2 78.4 103.6 235 253 A Q H <5S+ 0 0 26 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.880 127.1 24.5 -58.3 -46.7 93.1 76.1 106.6 236 254 A T H <5S+ 0 0 66 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.720 136.5 12.9 -98.6 -28.4 90.5 77.4 109.0 237 255 A K T X5S+ 0 0 72 -4,-2.2 4,-2.2 -5,-0.4 -3,-0.2 0.759 120.2 40.0-115.2 -66.3 87.7 78.8 106.8 238 256 A Y H > S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.892 109.8 51.1 -52.6 -38.3 86.5 73.5 105.9 241 259 A E H X S+ 0 0 86 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.897 108.0 51.3 -68.7 -36.4 83.7 75.3 104.1 242 260 A F H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.928 111.3 48.8 -61.7 -45.7 84.4 73.3 100.9 243 261 A I H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.925 108.7 52.8 -58.9 -46.8 84.3 70.1 103.0 244 262 A A H < S+ 0 0 88 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.885 117.4 38.5 -59.6 -37.6 81.0 71.1 104.7 245 263 A Q H < S+ 0 0 114 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.873 129.9 23.4 -76.9 -38.2 79.4 71.6 101.3 246 264 A Y H >< S+ 0 0 35 -4,-2.7 3,-2.1 -5,-0.2 60,-0.6 0.434 86.3 94.7-121.1 -1.7 80.9 68.8 99.3 247 265 A D T 3< S+ 0 0 7 -4,-2.5 355,-1.4 1,-0.3 356,-0.3 0.749 92.2 53.4 -62.7 -21.1 82.0 66.0 101.5 248 266 A G T 3 S+ 0 0 22 -5,-0.2 689,-0.6 353,-0.2 2,-0.5 0.231 94.0 86.9 -92.4 8.3 78.6 64.5 100.8 249 267 A L B < S-W 936 0J 19 -3,-2.1 57,-3.0 687,-0.1 58,-0.3 -0.957 70.3-140.5-113.3 124.4 79.0 64.7 97.0 250 268 A T B > -X 305 0K 0 685,-0.6 4,-2.4 -2,-0.5 55,-0.2 -0.376 21.8-117.4 -76.0 158.4 80.7 61.9 95.0 251 269 A L H > S+ 0 0 0 53,-2.8 4,-2.8 51,-0.3 5,-0.2 0.930 117.6 53.6 -55.8 -44.6 83.1 62.5 92.1 252 270 A G H > S+ 0 0 3 50,-2.8 4,-2.0 52,-0.3 -1,-0.2 0.899 108.5 48.3 -61.4 -40.4 80.6 60.6 89.9 253 271 A A H > S+ 0 0 4 49,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.901 111.5 50.5 -64.6 -40.3 77.8 62.9 91.0 254 272 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.927 108.4 51.6 -64.7 -44.3 80.0 66.0 90.4 255 273 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.939 110.6 49.4 -57.1 -45.5 80.9 64.8 86.9 256 274 A R H X S+ 0 0 22 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.912 109.4 51.2 -63.9 -39.6 77.2 64.4 86.1 257 275 A E H X S+ 0 0 86 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.929 112.8 46.1 -60.5 -45.2 76.3 67.8 87.4 258 276 A I H X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.939 114.2 46.5 -62.5 -48.2 79.1 69.4 85.2 259 277 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.895 109.6 56.1 -64.7 -37.1 78.1 67.4 82.1 260 278 A T H X S+ 0 0 35 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.942 109.4 44.7 -60.7 -46.6 74.4 68.2 82.7 261 279 A V H X S+ 0 0 73 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.901 114.5 49.1 -67.0 -42.1 75.0 72.0 82.7 262 280 A A H X>S+ 0 0 11 -4,-2.0 5,-1.8 2,-0.2 6,-1.0 0.890 111.6 49.8 -63.2 -39.9 77.3 71.8 79.6 263 281 A F H ><5S+ 0 0 29 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.930 110.4 49.1 -65.1 -44.9 74.8 69.7 77.8 264 282 A E H 3<5S+ 0 0 147 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.877 111.8 50.0 -64.5 -36.0 72.0 72.2 78.6 265 283 A K H 3<5S- 0 0 174 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.676 116.0-116.4 -76.2 -16.8 74.2 75.1 77.4 266 284 A G T <<5S+ 0 0 55 -4,-1.0 -3,-0.2 -3,-0.7 -2,-0.1 0.451 81.4 122.5 91.2 10.5 75.0 73.3 74.2 267 285 A T S - 0 0 68 0, 0.0 3,-0.7 0, 0.0 2,-0.3 -0.325 58.2-107.5 -54.1 140.4 73.5 65.0 71.5 271 289 A V G >> S- 0 0 9 1,-0.3 3,-2.3 5,-0.2 4,-2.2 -0.508 97.7 -6.0 -74.9 131.5 75.5 61.8 71.2 272 290 A D G 34 S- 0 0 86 -2,-0.3 -1,-0.3 1,-0.3 857,-0.0 0.383 110.8 -91.0 66.8 -5.4 75.2 60.3 67.6 273 291 A G G <4 S+ 0 0 61 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.511 122.8 71.1 79.7 3.7 72.6 63.0 67.1 274 292 A V T <4 + 0 0 76 -3,-2.3 -2,-0.2 2,-0.1 2,-0.1 0.595 60.5 98.3-135.8 -31.2 70.1 60.3 68.4 275 293 A L S < S- 0 0 15 -4,-2.2 -4,-0.1 4,-0.1 -2,-0.1 -0.524 74.7-115.9 -65.4 143.0 70.4 59.6 72.1 276 294 A D > - 0 0 67 -2,-0.1 4,-2.7 -6,-0.1 -5,-0.2 -0.020 39.5 -86.4 -71.2 179.9 67.8 61.5 74.3 277 295 A V H > S+ 0 0 86 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.950 127.5 41.8 -61.1 -51.1 69.0 64.1 76.9 278 296 A D H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 114.4 51.1 -68.7 -33.7 69.6 61.7 79.7 279 297 A E H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.896 111.5 48.9 -66.1 -39.4 71.2 59.1 77.5 280 298 A S H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.942 112.3 46.8 -64.9 -48.7 73.5 61.6 76.1 281 299 A I H X S+ 0 0 7 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.925 114.4 48.5 -57.3 -47.3 74.5 63.0 79.5 282 300 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.930 108.7 52.9 -61.7 -42.0 75.0 59.4 80.8 283 301 A Y H X S+ 0 0 7 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.935 112.1 45.4 -56.4 -49.7 77.1 58.5 77.8 284 302 A Y H X S+ 0 0 6 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.888 111.1 52.6 -63.4 -42.6 79.4 61.5 78.4 285 303 A V H X S+ 0 0 3 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.914 115.7 41.1 -55.1 -45.2 79.6 60.8 82.1 286 304 A E H X S+ 0 0 5 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.860 111.9 54.7 -77.4 -34.4 80.7 57.3 81.4 287 305 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.948 112.9 42.8 -60.9 -53.5 83.0 58.2 78.6 288 306 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 10,-0.4 0.908 108.5 62.2 -58.1 -38.7 84.8 60.6 80.8 289 307 A G H < S+ 0 0 0 -4,-1.9 10,-2.8 -5,-0.3 9,-0.5 0.906 108.8 39.7 -54.1 -44.1 84.7 58.0 83.5 290 308 A R H < S+ 0 0 6 -4,-2.0 7,-0.6 7,-0.2 -1,-0.2 0.816 116.4 51.5 -77.1 -26.1 86.8 55.6 81.4 291 309 A F H < S+ 0 0 11 -4,-1.8 5,-0.4 -5,-0.2 3,-0.3 0.963 88.0 178.1 -77.6 -55.2 89.1 58.3 80.1 292 310 A G < - 0 0 0 -4,-2.5 5,-0.2 1,-0.2 -1,-0.1 -0.344 41.1 -60.6 91.1-166.5 90.2 60.0 83.3 293 311 A F S S- 0 0 32 3,-0.6 25,-0.2 -2,-0.1 -1,-0.2 0.210 97.8 -58.8-111.4 6.5 92.5 62.8 84.4 294 312 A G S S+ 0 0 24 -3,-0.3 -139,-0.2 2,-0.2 -2,-0.1 0.297 129.8 65.8 126.3 -6.3 95.9 61.5 83.2 295 313 A T S S- 0 0 0 1,-0.5 -3,-0.1 -143,-0.1 2,-0.1 0.041 111.4 -82.1-130.4 26.4 96.3 58.1 84.9 296 314 A G S S- 0 0 1 -5,-0.4 -3,-0.6 -143,-0.2 -1,-0.5 -0.301 79.8 -17.1 96.1 176.4 93.4 56.2 83.3 297 315 A G - 0 0 4 -7,-0.6 -7,-0.2 196,-0.4 -8,-0.1 -0.234 40.7-165.8 -61.9 136.2 89.7 56.0 84.0 298 316 A F > + 0 0 0 -9,-0.5 3,-1.6 -10,-0.4 4,-0.2 0.376 63.9 106.0 -96.9 5.3 88.4 57.3 87.3 299 317 A K G > S+ 0 0 20 -10,-2.8 3,-2.0 1,-0.3 4,-0.2 0.911 79.2 52.4 -42.7 -50.9 85.1 55.6 86.8 300 318 A P G 3 S+ 0 0 9 0, 0.0 219,-0.4 0, 0.0 3,-0.3 0.753 110.5 49.6 -65.7 -18.9 86.1 53.0 89.4 301 319 A L G X S+ 0 0 2 -3,-1.6 3,-2.1 1,-0.2 -50,-0.3 0.226 75.9 112.4 -95.4 11.0 86.9 55.9 91.8 302 320 A Y T < + 0 0 12 -3,-2.0 -50,-2.8 1,-0.3 -49,-0.4 0.692 68.3 62.7 -65.2 -18.1 83.6 57.7 91.2 303 321 A N T 3 S+ 0 0 26 -3,-0.3 298,-0.7 -4,-0.2 -1,-0.3 0.546 78.1 106.9 -84.7 -7.8 82.4 57.0 94.7 304 322 A I B < S-Y 600 0L 0 -3,-2.1 -53,-2.8 296,-0.2 296,-0.3 -0.347 83.6 -97.8 -61.1 153.9 85.2 59.0 96.3 305 323 A S B > -X 250 0K 0 294,-2.1 4,-2.0 -55,-0.2 3,-0.4 -0.399 24.2-120.2 -64.2 152.4 84.1 62.3 97.8 306 324 A L H > S+ 0 0 0 -57,-3.0 4,-2.7 -60,-0.6 5,-0.2 0.846 116.0 63.6 -58.1 -33.2 84.6 65.4 95.6 307 325 A V H > S+ 0 0 0 -61,-0.5 4,-1.7 -58,-0.3 -1,-0.2 0.923 102.3 47.3 -57.4 -45.8 86.8 66.6 98.5 308 326 A E H > S+ 0 0 5 -3,-0.4 4,-1.2 2,-0.2 -2,-0.2 0.933 113.3 47.7 -63.1 -47.1 89.2 63.7 97.9 309 327 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 3,-0.3 0.899 107.2 57.7 -59.4 -39.4 89.3 64.3 94.1 310 328 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.868 99.0 58.7 -63.9 -34.5 89.9 68.0 94.8 311 329 A R H X S+ 0 0 3 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.909 108.9 45.7 -55.0 -43.0 93.0 67.3 96.8 312 330 A L H <>S+ 0 0 8 -4,-1.2 5,-2.2 -3,-0.3 4,-0.3 0.874 110.9 52.3 -69.3 -37.5 94.4 65.6 93.7 313 331 A I H ><5S+ 0 0 22 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.928 109.3 49.2 -61.4 -49.3 93.4 68.4 91.4 314 332 A L H 3<5S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.857 112.0 50.6 -61.2 -33.4 95.1 71.0 93.6 315 333 A W T 3<5S- 0 0 0 -4,-1.4 -186,-0.4 -5,-0.2 -1,-0.3 0.454 102.8-129.3 -82.0 -5.0 98.3 68.8 93.6 316 334 A D T X 5 + 0 0 90 -3,-1.4 3,-1.7 -4,-0.3 -188,-0.3 0.941 40.5 179.8 50.8 50.0 98.4 68.4 89.8 317 335 A Y T 3 < + 0 0 8 -5,-2.2 -1,-0.1 1,-0.3 -4,-0.1 0.675 61.4 64.3 -62.4 -26.0 98.7 64.7 90.7 318 336 A S T 3 S+ 0 0 25 -25,-0.2 2,-1.4 -6,-0.2 -1,-0.3 0.585 74.6 92.6 -78.8 -15.3 98.9 63.3 87.2 319 337 A N < + 0 0 31 -3,-1.7 -191,-3.2 -170,-0.0 -190,-0.3 -0.677 68.1 166.9 -82.2 91.6 102.2 64.9 86.3 320 338 A E E -K 127 0F 1 -2,-1.4 -170,-2.3 -193,-0.3 2,-0.3 -0.747 26.9-168.5-125.1 159.0 104.5 62.0 87.4 321 339 A Y E -KL 126 149F 2 -195,-2.4 -195,-2.5 -172,-0.3 -172,-0.2 -0.822 22.0-113.2-134.9 166.0 108.0 60.6 87.2 322 340 A T - 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