==== 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 3AYI . COMPND 2 MOLECULE: PRO-ENZYME OF L-PHENYLALANINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS; . AUTHOR K.IDA,M.SUGURO,H.SUZUKI . 1368 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 948 69.3 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 14.3 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 . 99 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 180 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 24.3 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 0 5 6 7 2 2 2 2 3 5 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,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 31.1 109.2 72.2 81.9 2 17 A I - 0 0 110 1,-0.0 2,-0.3 2,-0.0 7,-0.0 -0.657 360.0-125.5 -84.7 130.5 109.9 68.5 82.5 3 18 A A - 0 0 8 -2,-0.4 3,-0.1 1,-0.1 -1,-0.0 -0.568 25.4-177.7 -75.5 142.6 112.0 67.6 85.5 4 19 A T + 0 0 75 -2,-0.3 143,-1.7 1,-0.1 2,-0.3 0.508 60.2 39.0-119.3 -11.2 115.0 65.6 84.8 5 20 A T B > S-A 146 0A 31 141,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.933 82.3-108.6-137.1 161.0 116.6 64.9 88.2 6 21 A V H > S+ 0 0 0 139,-2.5 4,-3.1 -2,-0.3 137,-0.2 0.897 120.2 53.4 -53.6 -42.6 115.5 64.2 91.7 7 22 A G H > S+ 0 0 6 136,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.871 105.5 51.9 -65.1 -40.1 116.6 67.7 92.7 8 23 A E H > S+ 0 0 90 135,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.935 114.1 43.0 -60.9 -48.2 114.5 69.3 90.0 9 24 A A H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.937 112.7 54.9 -60.9 -46.4 111.4 67.4 91.1 10 25 A R H < S+ 0 0 47 -4,-3.1 4,-0.4 1,-0.2 3,-0.3 0.903 110.2 44.4 -55.3 -47.1 112.3 68.2 94.8 11 26 A L H >< S+ 0 0 101 -4,-2.6 3,-0.5 1,-0.2 4,-0.3 0.808 104.5 65.0 -68.9 -27.0 112.5 71.9 94.2 12 27 A S H 3< S+ 0 0 40 -4,-1.5 3,-0.2 1,-0.2 -1,-0.2 0.920 116.7 25.6 -62.0 -38.6 109.3 71.9 92.2 13 28 A G T >< S+ 0 0 1 -4,-1.4 3,-1.2 115,-0.4 118,-0.4 0.242 85.6 112.5-110.4 9.8 107.2 70.8 95.1 14 29 A I T < S+ 0 0 42 -3,-0.5 14,-0.4 -4,-0.4 -1,-0.2 0.742 86.4 37.3 -58.2 -32.0 109.2 72.1 98.1 15 30 A N T 3 S+ 0 0 44 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.1 0.482 83.5 125.5 -97.2 -8.3 106.7 74.7 99.1 16 31 A Y < - 0 0 8 -3,-1.2 10,-0.4 206,-0.2 2,-0.4 -0.376 39.1-166.8 -64.9 128.0 103.5 72.9 98.3 17 32 A R - 0 0 23 204,-1.7 5,-0.2 8,-0.2 8,-0.1 -0.948 17.9-129.8-111.0 131.7 101.0 72.7 101.3 18 33 A H > - 0 0 12 -2,-0.4 3,-1.9 6,-0.4 6,-0.2 -0.497 26.0-114.0 -80.6 153.4 98.1 70.3 101.2 19 34 A P G > S+ 0 0 1 0, 0.0 3,-0.5 0, 0.0 220,-0.2 0.707 115.1 52.3 -71.3 -20.1 94.7 71.9 102.1 20 35 A D G 3 S+ 0 0 9 1,-0.2 3,-0.0 219,-0.1 -2,-0.0 0.458 124.5 29.5 -83.5 -7.2 94.2 69.9 105.4 21 36 A S G X S+ 0 0 4 -3,-1.9 3,-1.8 3,-0.1 -3,-0.3 -0.284 77.6 148.3-143.8 48.3 97.7 71.0 106.5 22 37 A A T < + 0 0 0 -3,-0.5 -5,-0.1 1,-0.3 210,-0.1 0.591 61.8 66.0 -71.0 -15.0 97.9 74.4 104.7 23 38 A L T 3 S+ 0 0 62 653,-0.2 2,-0.4 649,-0.1 -1,-0.3 0.507 101.5 52.0 -88.3 5.0 100.0 76.0 107.4 24 39 A V < - 0 0 11 -3,-1.8 2,-0.7 -6,-0.2 -6,-0.4 -0.992 61.8-148.3-145.8 137.3 103.1 73.8 106.7 25 40 A S > - 0 0 8 -2,-0.4 4,-2.3 1,-0.2 3,-0.4 -0.890 20.4-151.9 -89.1 112.2 105.2 72.6 103.9 26 41 A Y H > S+ 0 0 6 -2,-0.7 4,-2.2 -10,-0.4 -1,-0.2 0.896 93.8 56.1 -58.7 -38.3 106.3 69.2 105.0 27 42 A P H 4 S+ 0 0 7 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.892 108.8 48.6 -58.3 -37.2 109.6 69.4 103.0 28 43 A V H >4 S+ 0 0 54 -3,-0.4 3,-1.4 -14,-0.4 4,-0.5 0.946 111.0 49.6 -68.7 -44.0 110.4 72.6 104.9 29 44 A A H 3< S+ 0 0 1 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.833 112.1 49.2 -57.8 -35.2 109.6 70.9 108.2 30 45 A A T 3< S+ 0 0 0 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.448 85.0 91.4 -86.5 -2.0 111.8 68.0 107.3 31 46 A A S < S+ 0 0 64 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.941 96.2 23.6 -64.0 -43.9 114.8 70.0 106.3 32 47 A A S S- 0 0 47 -4,-0.5 635,-0.1 -3,-0.3 30,-0.1 -0.663 113.8 -67.0-110.6 164.9 116.5 70.0 109.7 33 48 A P - 0 0 24 0, 0.0 -1,-0.2 0, 0.0 637,-0.1 -0.241 52.4-117.7 -49.1 147.5 115.9 67.4 112.5 34 49 A L S S- 0 0 0 25,-0.2 633,-2.5 632,-0.1 2,-0.3 0.726 70.1 -55.8 -70.3 -21.4 112.3 67.8 113.7 35 50 A G B -B 666 0B 3 631,-0.3 2,-0.3 635,-0.0 631,-0.2 -0.942 62.0 -68.8 176.2-157.3 113.3 68.8 117.3 36 51 A R - 0 0 120 629,-2.0 28,-0.1 -2,-0.3 27,-0.1 -0.953 28.2-149.6-130.5 150.5 115.2 67.9 120.4 37 52 A L - 0 0 17 -2,-0.3 3,-0.1 26,-0.2 622,-0.1 -0.857 28.6-106.5-114.2 145.8 114.8 65.2 123.0 38 53 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 29,-0.0 -0.318 55.6 -79.3 -61.1 157.3 115.8 65.3 126.6 39 54 A A S S+ 0 0 72 32,-0.1 2,-0.3 28,-0.1 30,-0.0 -0.271 80.8 109.8 -54.4 145.6 118.9 63.4 127.6 40 55 A G S S- 0 0 22 28,-0.2 32,-2.1 -3,-0.1 2,-0.6 -0.907 71.3 -98.1 162.8 168.2 118.1 59.6 128.0 41 56 A N E -c 72 0C 118 -2,-0.3 2,-0.2 30,-0.3 32,-0.2 -0.930 49.4-158.8-114.3 99.9 118.5 56.2 126.7 42 57 A Y E -c 73 0C 21 30,-2.5 32,-2.8 -2,-0.6 2,-0.6 -0.553 15.9-156.8 -87.3 144.8 115.3 55.6 124.8 43 58 A R E +c 74 0C 90 -2,-0.2 343,-2.5 30,-0.2 344,-1.2 -0.959 24.9 172.1-119.8 113.7 113.7 52.4 123.9 44 59 A I E -cd 75 387C 0 30,-3.2 32,-2.2 -2,-0.6 2,-0.4 -0.871 19.8-152.3-121.8 147.1 111.3 52.8 120.9 45 60 A A E -cd 76 388C 0 342,-1.8 344,-2.7 -2,-0.3 2,-0.5 -0.976 1.8-163.9-114.0 141.4 109.4 50.3 118.7 46 61 A I E -cd 77 389C 0 30,-2.5 32,-2.7 -2,-0.4 2,-0.8 -0.998 10.2-154.7-120.2 121.2 108.4 50.8 115.1 47 62 A V E +cd 78 390C 7 342,-2.9 344,-2.2 -2,-0.5 32,-0.1 -0.868 67.8 29.0 -95.1 109.4 105.7 48.3 114.0 48 63 A G - 0 0 7 30,-2.8 31,-0.2 -2,-0.8 30,-0.1 0.284 60.9-141.6 107.7 126.5 106.1 48.0 110.2 49 64 A G + 0 0 0 4,-0.1 36,-0.1 28,-0.1 37,-0.1 -0.220 64.4 109.9-108.5 39.5 109.0 48.4 107.9 50 65 A G S > S- 0 0 14 341,-0.4 4,-2.8 49,-0.1 5,-0.3 -0.169 92.5 -68.2 -92.6-164.9 107.3 50.1 105.0 51 66 A A H > S+ 0 0 9 48,-0.4 4,-2.3 1,-0.2 5,-0.2 0.894 133.9 48.4 -55.6 -43.4 107.6 53.7 103.8 52 67 A G H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.957 114.8 42.5 -65.9 -47.7 106.0 55.0 107.0 53 68 A G H > S+ 0 0 1 338,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.877 116.8 47.4 -67.1 -39.8 108.1 53.0 109.5 54 69 A I H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.905 110.8 50.3 -73.2 -36.8 111.3 53.6 107.6 55 70 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.930 111.3 50.3 -61.7 -41.9 110.8 57.3 107.2 56 71 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.936 109.6 50.9 -61.4 -43.3 110.0 57.4 111.0 57 72 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.915 108.9 51.4 -60.0 -44.2 113.3 55.5 111.6 58 73 A Y H X S+ 0 0 19 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.937 110.2 48.2 -57.0 -47.7 115.2 58.0 109.5 59 74 A E H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.888 111.3 51.6 -63.2 -40.0 113.7 60.9 111.4 60 75 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.868 106.8 53.5 -61.4 -38.6 114.6 59.2 114.7 61 76 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.921 107.5 50.6 -60.0 -44.2 118.2 58.7 113.5 62 77 A R H X S+ 0 0 54 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.898 113.1 46.2 -60.7 -40.3 118.4 62.4 112.8 63 78 A L H >< S+ 0 0 1 -4,-2.0 3,-1.5 1,-0.2 4,-0.4 0.927 108.0 56.7 -67.2 -41.8 117.2 63.1 116.3 64 79 A A H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.882 98.5 60.6 -59.2 -39.4 119.5 60.5 117.8 65 80 A A H 3< S+ 0 0 42 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.731 102.1 54.5 -62.6 -22.3 122.6 62.3 116.3 66 81 A T T << S+ 0 0 51 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.486 84.6 106.7 -89.5 -5.0 121.7 65.4 118.3 67 82 A L S < S- 0 0 6 -3,-1.8 3,-0.1 -4,-0.4 -28,-0.1 -0.387 74.1-108.7 -76.4 151.9 121.6 63.7 121.6 68 83 A P > - 0 0 68 0, 0.0 3,-2.5 0, 0.0 -28,-0.2 -0.248 48.1 -68.2 -77.7 172.2 124.4 64.3 124.1 69 84 A A T 3 S+ 0 0 98 1,-0.3 3,-0.1 -30,-0.0 277,-0.0 -0.232 123.8 26.9 -56.4 141.9 127.1 61.9 125.0 70 85 A G T 3 S+ 0 0 66 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.286 104.6 97.9 88.5 -16.1 125.8 59.0 127.0 71 86 A S < + 0 0 16 -3,-2.5 -1,-0.4 -7,-0.1 2,-0.3 -0.669 44.0 145.9 -99.7 164.8 122.3 59.3 125.5 72 87 A G E -c 41 0C 9 -32,-2.1 -30,-2.5 -2,-0.2 2,-0.4 -0.985 39.1-110.8-178.9 174.9 120.9 57.3 122.6 73 88 A I E -ce 42 347C 5 273,-2.7 275,-2.2 -2,-0.3 2,-0.5 -0.997 16.8-163.7-129.0 128.8 117.9 55.6 120.9 74 89 A D E -ce 43 348C 44 -32,-2.8 -30,-3.2 -2,-0.4 2,-0.5 -0.949 13.0-166.4-106.1 128.2 117.3 51.9 120.6 75 90 A V E -ce 44 349C 0 273,-2.8 275,-2.5 -2,-0.5 2,-0.6 -0.989 12.8-162.1-117.8 126.8 114.7 50.9 118.0 76 91 A Q E -ce 45 350C 18 -32,-2.2 -30,-2.5 -2,-0.5 2,-0.6 -0.928 14.8-160.3 -95.5 119.8 113.1 47.5 117.6 77 92 A I E -ce 46 351C 0 273,-2.8 275,-3.1 -2,-0.6 2,-0.5 -0.914 2.5-154.6-103.6 119.7 111.5 47.3 114.2 78 93 A Y E +ce 47 352C 2 -32,-2.7 -30,-2.8 -2,-0.6 2,-0.4 -0.804 18.3 171.5 -93.6 128.2 108.8 44.7 113.8 79 94 A E - 0 0 20 273,-2.8 276,-0.1 -2,-0.5 5,-0.1 -0.870 14.1-177.6-144.1 108.5 108.3 43.4 110.3 80 95 A A + 0 0 49 -2,-0.4 275,-0.1 273,-0.2 -1,-0.1 0.640 54.1 101.8 -77.2 -22.6 106.0 40.4 109.7 81 96 A D > - 0 0 36 1,-0.2 3,-1.9 273,-0.1 6,-0.2 -0.569 59.7-155.3 -73.4 119.0 106.5 40.1 106.0 82 97 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 14,-0.1 0.747 93.5 56.3 -65.0 -21.4 108.9 37.3 105.2 83 98 A D T 3 S+ 0 0 40 12,-0.1 15,-1.5 13,-0.1 13,-0.8 0.380 78.8 127.1 -90.5 2.0 109.7 38.9 101.9 84 99 A S B X -g 98 0D 1 -3,-1.9 3,-1.9 13,-0.2 4,-0.2 -0.294 68.9-125.7 -60.4 144.5 110.7 42.3 103.4 85 100 A F G > S+ 0 0 3 13,-2.7 3,-1.4 1,-0.3 -1,-0.1 0.772 107.8 71.4 -56.1 -24.4 114.1 43.7 102.5 86 101 A L G 3 S+ 0 0 10 12,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.739 97.4 48.2 -70.7 -19.1 114.8 43.9 106.2 87 102 A H G < S+ 0 0 52 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.335 103.4 62.7-102.4 7.2 115.1 40.1 106.4 88 103 A D < 0 0 51 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 -0.210 360.0 360.0-118.6 40.3 117.5 39.8 103.4 89 104 A R 0 0 265 -3,-0.3 -1,-0.3 0, 0.0 7,-0.0 -0.760 360.0 360.0 72.9 360.0 120.4 41.9 104.9 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 23 0, 0.0 17,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 153.0 111.2 32.6 87.4 92 110 A I E -I 107 0E 1 446,-2.6 2,-0.5 15,-0.2 15,-0.2 -0.975 360.0-163.8-126.0 109.1 109.7 35.4 89.6 93 111 A K E +I 106 0E 29 13,-3.0 13,-2.9 -2,-0.5 444,-0.0 -0.845 24.6 155.2 -94.4 131.2 111.6 36.4 92.7 94 112 A V > + 0 0 17 -2,-0.5 3,-2.4 11,-0.2 2,-0.2 0.441 36.1 117.1-120.4 -18.8 110.0 38.4 95.5 95 113 A R T 3 S+ 0 0 112 1,-0.3 -12,-0.1 2,-0.2 -11,-0.1 -0.385 92.3 3.2 -62.3 123.5 112.0 37.5 98.5 96 114 A G T 3 S+ 0 0 0 -13,-0.8 -1,-0.3 -2,-0.2 -12,-0.1 0.410 109.0 98.6 83.7 2.3 113.8 40.6 99.8 97 115 A L < + 0 0 13 -3,-2.4 7,-2.5 7,-0.2 2,-0.4 0.199 62.3 87.7-111.5 17.1 112.1 42.8 97.2 98 116 A K E +gH 84 103D 14 -15,-1.5 -13,-2.7 5,-0.2 -12,-0.3 -0.917 37.6 175.0-118.0 142.6 109.3 44.2 99.3 99 117 A A E > S- H 0 102D 1 3,-3.2 3,-1.8 -2,-0.4 -48,-0.4 -0.753 73.7 -78.9-130.7 76.7 109.0 47.2 101.6 100 118 A G T 3 S- 0 0 26 1,-0.3 -1,-0.2 -2,-0.2 229,-0.0 -0.438 115.2 -2.3 64.7-119.8 105.3 46.8 102.4 101 119 A R T 3 S+ 0 0 53 -2,-0.3 22,-1.8 -3,-0.1 2,-0.7 0.367 117.1 86.6 -89.0 5.3 103.4 48.2 99.4 102 120 A V E < S+H 99 0D 6 -3,-1.8 -3,-3.2 20,-0.2 2,-0.4 -0.946 70.4 162.9 -94.3 102.9 106.6 49.2 97.6 103 121 A S E -H 98 0D 2 -2,-0.7 18,-2.4 -5,-0.2 19,-1.0 -0.961 24.9-169.2-144.0 117.0 107.0 45.7 96.1 104 122 A A E - J 0 120E 0 -7,-2.5 2,-0.5 -2,-0.4 16,-0.2 -0.828 9.2-157.5-107.5 148.4 109.0 44.4 93.2 105 123 A A E - J 0 119E 0 14,-2.2 14,-2.7 -2,-0.3 2,-0.6 -0.992 14.5-149.2-120.5 121.2 109.0 41.2 91.4 106 124 A L E -IJ 93 118E 9 -13,-2.9 -13,-3.0 -2,-0.5 2,-0.5 -0.841 4.4-152.9 -97.7 120.7 112.2 40.2 89.5 107 125 A V E +IJ 92 117E 0 10,-2.6 9,-3.2 -2,-0.6 10,-1.0 -0.812 33.4 148.4 -92.1 123.3 111.7 38.1 86.4 108 126 A H - 0 0 7 -17,-2.5 7,-0.1 -2,-0.5 473,-0.0 -0.897 51.9-123.6-147.6 175.9 114.9 36.0 85.7 109 127 A N S S- 0 0 113 5,-0.4 6,-0.1 2,-0.4 -17,-0.1 -0.021 85.0 -55.6-119.6 23.7 116.0 32.7 84.3 110 128 A G S S+ 0 0 60 -19,-0.1 5,-0.1 0, 0.0 3,-0.1 0.032 125.5 76.6 130.4 -21.3 117.8 31.2 87.2 111 129 A D > - 0 0 90 3,-0.3 3,-2.3 1,-0.1 -2,-0.4 -0.885 57.9-168.0-114.6 105.0 120.3 34.0 87.9 112 130 A P T 3 S+ 0 0 50 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.671 85.9 65.4 -67.1 -15.5 118.6 36.9 89.7 113 131 A A T 3 S+ 0 0 94 1,-0.3 2,-0.1 -3,-0.1 -5,-0.0 0.559 106.3 44.9 -81.3 -1.6 121.7 39.1 89.2 114 132 A S S < S+ 0 0 81 -3,-2.3 -5,-0.4 388,-0.0 -3,-0.3 -0.541 86.6 165.0-136.7 65.7 120.9 38.9 85.5 115 133 A G - 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0 0 48 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.235 13.6-148.7 -68.3 158.2 84.7 76.9 94.0 209 227 A I B > S-V 212 0I 2 3,-2.5 3,-2.1 1,-0.1 30,-0.1 -0.994 89.4 -4.2-119.9 124.4 87.1 77.2 97.0 210 228 A A T 3 S- 0 0 24 -2,-0.4 -1,-0.1 28,-0.3 3,-0.1 0.865 131.3 -62.9 57.4 35.3 87.1 80.6 98.6 211 229 A N T 3 S+ 0 0 133 1,-0.2 -1,-0.3 27,-0.1 2,-0.3 0.572 119.8 92.3 68.4 12.6 84.8 81.7 95.8 212 230 A V B < S-V 209 0I 40 -3,-2.1 -3,-2.5 -5,-0.1 -1,-0.2 -0.839 86.2 -78.7-132.7 167.3 87.4 81.0 93.1 213 231 A D >> - 0 0 1 -2,-0.3 3,-1.7 -15,-0.2 4,-1.1 -0.336 40.5-119.2 -64.1 145.0 88.4 78.2 90.8 214 232 A P H 3> S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 3,-0.4 0.862 111.7 67.1 -51.7 -36.4 90.6 75.5 92.4 215 233 A A H 3> S+ 0 0 15 -19,-2.5 4,-1.3 1,-0.3 -18,-0.1 0.849 99.3 51.1 -53.2 -38.6 93.4 76.3 90.0 216 234 A K H <> S+ 0 0 37 -3,-1.7 4,-0.9 -18,-0.3 -1,-0.3 0.843 109.9 48.3 -70.6 -35.6 93.8 79.6 91.7 217 235 A I H X S+ 0 0 5 -4,-1.1 4,-2.7 -3,-0.4 3,-0.4 0.894 105.9 58.1 -69.2 -38.4 94.0 78.0 95.2 218 236 A A H X S+ 0 0 21 -4,-2.7 4,-1.4 1,-0.3 -2,-0.2 0.889 103.2 53.6 -58.1 -40.1 96.5 75.5 93.9 219 237 A A H < S+ 0 0 62 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.849 110.5 46.6 -65.1 -34.4 98.8 78.5 93.0 220 238 A I H >< S+ 0 0 55 -4,-0.9 3,-1.5 -3,-0.4 -2,-0.2 0.930 110.8 51.6 -72.0 -46.4 98.5 79.9 96.5 221 239 A L H 3< S+ 0 0 0 -4,-2.7 -204,-1.7 1,-0.3 -2,-0.2 0.748 115.2 44.1 -60.5 -28.7 99.2 76.5 98.2 222 240 A N T 3< S+ 0 0 60 -4,-1.4 -1,-0.3 -5,-0.2 2,-0.2 0.297 89.4 108.9 -99.2 6.4 102.3 76.2 95.9 223 241 A A < - 0 0 30 -3,-1.5 -3,-0.0 1,-0.1 -4,-0.0 -0.534 65.6-137.9 -75.8 157.0 103.6 79.8 96.4 224 242 A A S S+ 0 0 68 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.968 101.1 19.2 -72.3 -46.2 107.0 80.4 98.5 225 243 A T S S+ 0 0 125 -3,-0.1 -1,-0.3 3,-0.0 3,-0.1 -0.434 82.5 155.4-131.3 91.0 105.4 83.4 100.2 226 244 A P - 0 0 25 0, 0.0 2,-0.8 0, 0.0 3,-0.1 0.179 63.6 -60.6 -75.8 174.5 101.7 83.5 99.9 227 245 A P > - 0 0 82 0, 0.0 4,-2.7 0, 0.0 5,-0.3 -0.496 37.2-154.7 -46.8 117.8 99.6 85.3 102.3 228 246 A A H > S+ 0 0 80 -2,-0.8 4,-2.4 2,-0.2 5,-0.1 0.953 107.1 51.9 -49.4 -44.2 100.3 83.8 105.7 229 247 A D H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.859 106.0 53.3 -65.4 -34.7 96.8 85.2 106.1 230 248 A A H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 108.1 48.5 -65.1 -41.6 95.8 83.3 103.0 231 249 A L H X S+ 0 0 13 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.930 112.2 48.6 -65.6 -39.7 97.0 80.0 104.3 232 250 A E H X S+ 0 0 61 -4,-2.4 4,-2.6 -5,-0.3 5,-0.4 0.902 110.6 51.0 -65.5 -39.9 95.3 80.3 107.6 233 251 A R H X>S+ 0 0 80 -4,-2.3 5,-2.6 2,-0.2 4,-2.0 0.892 112.3 46.3 -68.3 -38.2 92.1 81.3 106.0 234 252 A I H <>S+ 0 0 5 -4,-2.4 5,-2.5 3,-0.2 -2,-0.2 0.953 116.4 46.6 -60.6 -49.3 92.3 78.2 103.7 235 253 A Q H <5S+ 0 0 25 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.882 127.0 23.8 -59.2 -47.7 93.2 76.0 106.7 236 254 A T H <5S+ 0 0 66 -4,-2.6 -3,-0.2 -5,-0.1 -1,-0.2 0.705 137.0 13.5 -99.8 -26.3 90.5 77.3 109.1 237 255 A K T X5S+ 0 0 73 -4,-2.0 4,-2.2 -5,-0.4 -3,-0.2 0.769 120.2 39.9-116.4 -66.7 87.7 78.7 106.9 238 256 A Y H > S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.904 110.0 51.4 -57.3 -35.3 86.5 73.4 106.0 241 259 A E H X S+ 0 0 85 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.894 108.3 50.6 -70.5 -36.0 83.7 75.2 104.2 242 260 A F H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.944 111.6 48.8 -63.2 -43.5 84.4 73.2 101.0 243 261 A I H X S+ 0 0 13 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.917 108.8 52.6 -59.1 -47.1 84.3 70.0 103.1 244 262 A A H < S+ 0 0 89 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.883 117.9 38.4 -59.5 -38.3 81.0 71.0 104.8 245 263 A Q H < S+ 0 0 113 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.873 130.0 22.7 -77.4 -38.1 79.5 71.5 101.4 246 264 A Y H >< S+ 0 0 36 -4,-2.7 3,-2.1 -5,-0.2 60,-0.6 0.438 86.4 95.6-121.4 -2.1 80.9 68.7 99.3 247 265 A D T 3< S+ 0 0 7 -4,-2.4 355,-1.4 1,-0.3 356,-0.2 0.763 91.8 52.7 -64.7 -18.9 82.0 65.9 101.6 248 266 A G T 3 S+ 0 0 23 -5,-0.3 689,-0.6 353,-0.2 2,-0.5 0.235 94.0 88.4 -94.2 8.5 78.6 64.3 100.9 249 267 A L B < S-W 936 0J 19 -3,-2.1 57,-3.0 687,-0.1 58,-0.3 -0.964 70.2-140.6-110.2 125.3 79.0 64.6 97.1 250 268 A T B > -X 305 0K 0 685,-0.6 4,-2.4 -2,-0.5 55,-0.2 -0.353 21.9-117.0 -79.1 158.1 80.7 61.8 95.2 251 269 A L H > S+ 0 0 0 53,-2.7 4,-2.8 50,-0.3 5,-0.2 0.925 117.2 53.5 -56.8 -43.1 83.0 62.4 92.3 252 270 A G H > S+ 0 0 3 50,-2.7 4,-2.1 52,-0.2 -1,-0.2 0.893 107.8 49.4 -61.7 -37.9 80.6 60.6 90.0 253 271 A A H > S+ 0 0 5 49,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.901 111.0 50.5 -64.4 -42.9 77.8 62.9 91.1 254 272 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.921 108.1 51.6 -62.6 -44.6 80.0 65.9 90.5 255 273 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.942 110.6 49.3 -57.5 -45.8 80.9 64.7 87.0 256 274 A R H X S+ 0 0 23 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.913 109.6 51.4 -64.9 -37.7 77.2 64.3 86.1 257 275 A E H X S+ 0 0 87 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.923 112.7 45.8 -61.2 -46.1 76.4 67.8 87.5 258 276 A I H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.936 114.2 47.1 -61.0 -48.8 79.1 69.3 85.3 259 277 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.900 109.7 55.5 -63.3 -40.1 78.1 67.4 82.2 260 278 A T H X S+ 0 0 35 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.926 109.6 44.4 -57.9 -49.7 74.4 68.2 82.7 261 279 A V H X S+ 0 0 70 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.915 114.7 49.6 -64.2 -41.8 75.1 72.0 82.8 262 280 A A H X>S+ 0 0 11 -4,-2.2 5,-1.7 2,-0.2 4,-1.0 0.894 111.5 49.1 -62.7 -41.4 77.4 71.7 79.7 263 281 A F H ><5S+ 0 0 27 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.939 110.4 49.9 -65.2 -41.8 74.9 69.7 77.8 264 282 A E H 3<5S+ 0 0 148 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.862 111.2 49.6 -68.0 -35.8 72.1 72.2 78.6 265 283 A K H 3<5S- 0 0 173 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.699 116.3-115.6 -73.5 -16.2 74.3 75.1 77.5 266 284 A G T <<5S+ 0 0 55 -4,-1.0 -3,-0.2 -3,-0.7 -2,-0.1 0.426 81.7 123.0 88.3 9.4 75.1 73.3 74.2 267 285 A T S > S- 0 0 10 1,-0.2 4,-1.5 5,-0.2 3,-1.2 -0.640 93.5 -15.9 -74.4 135.3 75.7 61.8 71.2 272 290 A D T 34 S- 0 0 87 -2,-0.4 -1,-0.2 1,-0.2 857,-0.0 0.414 102.2-107.3 55.3 -12.1 75.1 60.2 67.7 273 291 A G T 34 S+ 0 0 54 2,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.997 112.7 81.5 40.8 69.4 72.3 62.7 67.8 274 292 A V T <4 + 0 0 76 -3,-1.2 -2,-0.2 1,-0.4 2,-0.1 0.065 67.0 92.4-163.3 -43.7 69.8 59.8 68.3 275 293 A L S < S- 0 0 17 -4,-1.5 -1,-0.4 4,-0.1 -4,-0.1 -0.508 79.3-121.7 -63.1 142.5 70.3 59.4 72.1 276 294 A D > - 0 0 63 -2,-0.1 4,-2.7 -3,-0.1 -5,-0.2 -0.075 37.7 -85.0 -74.9 178.5 67.8 61.4 74.2 277 295 A V H > S+ 0 0 87 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.950 127.9 42.4 -56.8 -50.4 69.0 64.0 76.8 278 296 A D H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.899 113.6 51.6 -70.9 -33.3 69.6 61.6 79.6 279 297 A E H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.908 111.4 49.0 -66.5 -40.4 71.3 59.0 77.5 280 298 A S H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.935 112.7 45.8 -61.8 -52.8 73.6 61.6 76.1 281 299 A I H X S+ 0 0 8 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.939 115.0 48.4 -56.1 -44.3 74.5 62.9 79.5 282 300 A S H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.914 109.1 52.5 -66.4 -41.3 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 0.931 112.0 46.5 -57.0 -49.6 77.1 58.4 77.8 284 302 A Y H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.892 111.0 51.4 -63.9 -39.9 79.4 61.5 78.5 285 303 A V H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.918 115.4 42.0 -59.5 -43.8 79.6 60.8 82.2 286 304 A E H X S+ 0 0 4 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.876 112.1 54.3 -76.4 -34.2 80.6 57.2 81.5 287 305 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.949 112.5 43.9 -62.3 -51.5 83.0 58.1 78.6 288 306 A F H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 10,-0.4 0.899 108.5 61.1 -59.2 -39.0 84.8 60.5 80.9 289 307 A G H < S+ 0 0 0 -4,-2.0 10,-2.7 -5,-0.3 9,-0.5 0.895 109.0 40.2 -54.5 -43.0 84.7 57.9 83.6 290 308 A R H < S+ 0 0 6 -4,-2.0 7,-0.6 7,-0.2 -1,-0.2 0.801 116.4 51.3 -77.6 -26.7 86.7 55.5 81.5 291 309 A F H < S+ 0 0 12 -4,-1.7 5,-0.4 -5,-0.2 3,-0.3 0.953 88.2 178.0 -77.5 -54.3 89.1 58.2 80.2 292 310 A G < - 0 0 0 -4,-2.4 5,-0.2 1,-0.2 -1,-0.1 -0.345 40.7 -60.0 88.9-167.5 90.3 59.9 83.4 293 311 A F S S- 0 0 37 3,-0.6 25,-0.2 -2,-0.1 -1,-0.2 0.195 98.0 -59.2-108.2 3.3 92.5 62.6 84.6 294 312 A G S S+ 0 0 23 -3,-0.3 -139,-0.2 2,-0.2 -2,-0.1 0.274 129.7 65.9 130.2 -5.7 95.9 61.4 83.4 295 313 A T S S- 0 0 4 1,-0.5 -3,-0.1 -143,-0.1 2,-0.1 0.071 111.2 -85.1-128.3 24.6 96.2 57.9 85.1 296 314 A G S S- 0 0 1 -5,-0.4 -3,-0.6 -143,-0.2 -1,-0.5 -0.326 79.8 -12.6 96.3 179.7 93.4 56.1 83.3 297 315 A G - 0 0 4 -7,-0.6 -7,-0.2 196,-0.4 -8,-0.1 -0.229 40.5-168.1 -62.6 137.3 89.7 55.9 84.1 298 316 A F > + 0 0 7 -9,-0.5 3,-1.7 -10,-0.4 4,-0.2 0.371 62.5 106.2 -98.2 5.0 88.4 57.1 87.4 299 317 A K G > S+ 0 0 20 -10,-2.7 3,-2.1 1,-0.3 4,-0.2 0.917 79.1 53.3 -41.5 -51.7 85.0 55.5 86.9 300 318 A P G 3 S+ 0 0 9 0, 0.0 219,-0.4 0, 0.0 3,-0.3 0.738 109.7 50.2 -63.8 -21.4 86.0 52.9 89.5 301 319 A L G X S+ 0 0 8 -3,-1.7 3,-2.2 -12,-0.2 -50,-0.3 0.243 74.9 112.8 -93.8 13.1 86.8 55.8 91.8 302 320 A Y T < + 0 0 11 -3,-2.1 -50,-2.7 1,-0.3 -49,-0.4 0.701 69.5 61.7 -65.9 -18.0 83.5 57.6 91.2 303 321 A N T 3 S+ 0 0 26 -3,-0.3 298,-0.7 -4,-0.2 -1,-0.3 0.576 78.9 106.8 -85.1 -8.6 82.4 56.9 94.9 304 322 A I B < S-Y 600 0L 0 -3,-2.2 -53,-2.7 296,-0.2 296,-0.3 -0.326 83.1 -98.1 -59.7 153.5 85.2 58.9 96.4 305 323 A S B > -X 250 0K 0 294,-2.1 4,-2.1 -55,-0.2 3,-0.4 -0.409 23.1-121.1 -63.3 150.7 84.2 62.2 97.8 306 324 A L H > S+ 0 0 0 -57,-3.0 4,-2.6 -60,-0.6 5,-0.2 0.850 115.5 62.6 -57.4 -32.1 84.7 65.3 95.7 307 325 A V H > S+ 0 0 0 -61,-0.5 4,-1.6 -58,-0.3 -1,-0.2 0.924 103.0 48.1 -60.3 -43.7 86.9 66.5 98.6 308 326 A E H > S+ 0 0 6 -3,-0.4 4,-1.2 291,-0.2 3,-0.2 0.925 112.9 46.8 -63.7 -47.8 89.2 63.6 98.0 309 327 A M H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.3 0.902 107.7 57.9 -59.1 -37.4 89.4 64.2 94.2 310 328 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.860 98.9 58.5 -66.4 -34.1 89.9 67.9 94.8 311 329 A R H X S+ 0 0 3 -4,-1.6 4,-1.4 -3,-0.2 -1,-0.2 0.917 109.4 45.1 -55.6 -42.8 93.0 67.1 96.9 312 330 A L H <>S+ 0 0 14 -4,-1.2 5,-2.2 -3,-0.3 4,-0.4 0.878 111.1 52.9 -70.2 -36.1 94.5 65.4 93.9 313 331 A I H ><5S+ 0 0 21 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.944 108.9 49.1 -62.3 -46.9 93.4 68.2 91.5 314 332 A L H 3<5S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.851 112.0 50.2 -60.7 -35.4 95.2 70.8 93.7 315 333 A W T 3<5S- 0 0 2 -4,-1.4 -186,-0.4 -5,-0.2 -1,-0.3 0.462 103.2-128.6 -81.0 -8.4 98.3 68.6 93.7 316 334 A D T X 5 - 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