==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(OXYGENASE) 26-JUL-01 1GJM . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR V.FULOP . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 8.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 19 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 2 0 2 0 0 2 1 2 0 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 1 5 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 1 0 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 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 10 A N 0 0 187 0, 0.0 2,-0.5 0, 0.0 49,-0.5 0.000 360.0 360.0 360.0 135.9 22.0 13.0 80.4 2 11 A L - 0 0 79 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.946 360.0-134.5-113.7 120.9 21.5 16.8 80.1 3 12 A A - 0 0 22 45,-3.0 49,-0.0 -2,-0.5 0, 0.0 -0.506 39.5 -91.7 -73.3 135.8 19.5 18.6 82.8 4 13 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.217 49.9 -99.9 -50.1 133.8 16.9 21.0 81.4 5 14 A L - 0 0 51 1,-0.1 6,-0.1 -3,-0.1 43,-0.0 -0.366 37.5-117.9 -62.1 122.3 18.3 24.6 81.0 6 15 A P > - 0 0 32 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.313 22.9-116.4 -59.9 144.2 17.2 26.9 83.8 7 16 A P T 3 S+ 0 0 139 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.772 111.5 55.1 -53.2 -33.0 15.1 29.9 82.8 8 17 A H T 3 S+ 0 0 54 2,-0.1 294,-0.2 0, 0.0 -3,-0.0 0.629 88.1 90.4 -79.5 -13.4 17.8 32.5 83.8 9 18 A V S < S- 0 0 7 -3,-1.7 2,-0.2 292,-0.1 5,-0.1 -0.748 76.7-129.5 -90.3 125.1 20.6 31.0 81.7 10 19 A P > - 0 0 50 0, 0.0 3,-1.6 0, 0.0 36,-0.2 -0.477 12.9-129.9 -70.0 141.9 20.9 32.4 78.1 11 20 A E G > S+ 0 0 125 1,-0.3 3,-1.7 2,-0.2 35,-0.1 0.820 104.7 64.1 -62.4 -31.6 21.1 29.8 75.4 12 21 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.616 98.1 56.6 -69.8 -10.3 24.3 31.3 73.9 13 22 A L G < S+ 0 0 14 -3,-1.6 33,-2.8 32,-0.1 2,-0.3 0.373 80.7 116.3-100.7 3.5 26.2 30.5 77.1 14 23 A V B < +a 46 0A 26 -3,-1.7 2,-0.2 31,-0.2 33,-0.2 -0.561 27.9 158.9 -77.4 132.9 25.4 26.8 76.9 15 24 A F - 0 0 62 31,-2.5 2,-2.4 -2,-0.3 30,-0.1 -0.741 33.3-143.8-154.5 97.1 28.4 24.5 76.4 16 25 A D + 0 0 51 -2,-0.2 2,-0.4 31,-0.2 31,-0.1 -0.361 32.5 167.0 -69.8 71.8 27.8 20.9 77.5 17 26 A F - 0 0 9 -2,-2.4 2,-0.7 32,-0.1 32,-0.3 -0.701 25.4-150.4 -87.7 134.4 31.2 20.0 79.0 18 27 A D > - 0 0 43 -2,-0.4 3,-1.2 1,-0.1 366,-0.1 -0.918 4.4-164.1-107.7 108.6 31.3 16.8 81.0 19 28 A M T 3 S+ 0 0 2 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.674 91.1 47.2 -65.7 -18.5 33.9 17.0 83.7 20 29 A Y T 3 S+ 0 0 47 1,-0.2 364,-0.3 366,-0.0 -1,-0.3 0.484 131.8 14.8-100.2 -6.6 33.9 13.3 84.3 21 30 A N S < S- 0 0 102 -3,-1.2 -2,-0.2 362,-0.1 -1,-0.2 -0.250 81.5-163.0-164.9 66.7 34.0 12.3 80.6 22 31 A P > - 0 0 4 0, 0.0 3,-1.6 0, 0.0 11,-0.1 -0.180 28.0-115.2 -58.7 142.9 35.1 15.3 78.4 23 32 A S T 3 S+ 0 0 110 1,-0.3 3,-0.2 9,-0.1 9,-0.0 0.758 111.1 36.2 -46.9 -41.5 34.5 15.2 74.6 24 33 A N T > + 0 0 81 1,-0.2 3,-2.3 8,-0.1 4,-0.3 -0.096 69.9 136.5-111.6 38.5 38.1 15.2 73.5 25 34 A L G X + 0 0 18 -3,-1.6 3,-1.7 1,-0.3 357,-0.3 0.763 64.0 70.6 -53.2 -27.9 39.6 13.1 76.3 26 35 A S G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.639 90.6 58.1 -66.0 -19.7 41.7 11.2 73.7 27 36 A A G < S- 0 0 61 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.517 130.4 -78.2 -86.4 -6.6 43.9 14.2 73.1 28 37 A G <> - 0 0 9 -3,-1.7 4,-2.1 -4,-0.3 -1,-0.3 -0.162 41.6 -96.3 117.7 148.9 44.9 14.3 76.7 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.923 122.3 48.6 -65.2 -47.2 42.9 15.5 79.7 30 39 A Q H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 113.7 50.5 -59.6 -36.9 44.4 19.0 80.0 31 40 A E H > S+ 0 0 58 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.876 107.4 52.6 -66.9 -41.6 43.8 19.4 76.2 32 41 A A H >< S+ 0 0 3 -4,-2.1 3,-0.6 1,-0.2 4,-0.2 0.907 113.5 43.1 -61.2 -44.7 40.2 18.3 76.6 33 42 A W H >< S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.877 105.2 64.3 -68.8 -38.8 39.6 20.9 79.3 34 43 A A H >< S+ 0 0 21 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.659 82.2 77.6 -60.5 -17.8 41.6 23.6 77.3 35 44 A V G X< S+ 0 0 32 -4,-0.7 3,-1.2 -3,-0.6 -1,-0.3 0.803 84.9 66.2 -62.5 -23.1 38.9 23.4 74.6 36 45 A L G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.649 93.5 58.7 -70.0 -19.2 36.9 25.5 77.0 37 46 A Q G < S+ 0 0 20 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.340 76.2 123.7 -95.8 6.2 39.3 28.4 76.6 38 47 A E S X S- 0 0 89 -3,-1.2 3,-1.9 -4,-0.2 -3,-0.0 -0.348 74.7-112.5 -68.0 149.8 39.0 28.9 72.8 39 48 A S T 3 S+ 0 0 118 1,-0.3 -1,-0.1 -2,-0.0 4,-0.1 0.736 117.0 58.6 -53.1 -29.4 38.0 32.3 71.5 40 49 A N T 3 S+ 0 0 123 2,-0.1 -1,-0.3 0, 0.0 -4,-0.1 0.759 95.0 79.0 -72.2 -25.8 34.7 30.9 70.3 41 50 A V S < S- 0 0 9 -3,-1.9 -28,-0.1 -6,-0.2 4,-0.1 -0.712 87.0-117.2 -91.6 129.9 33.8 29.8 73.8 42 51 A P - 0 0 43 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.144 23.8-112.9 -58.2 160.7 32.5 32.5 76.3 43 52 A D S S+ 0 0 57 1,-0.2 14,-2.3 256,-0.1 15,-0.9 0.649 108.8 28.6 -68.8 -19.9 34.5 33.3 79.5 44 53 A L E S+ B 0 56A 4 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.940 78.7 174.7-146.3 117.0 31.8 31.8 81.5 45 54 A V E - B 0 55A 0 10,-1.9 10,-1.8 -2,-0.3 2,-0.5 -0.801 25.7-129.7-122.4 167.1 29.5 29.0 80.3 46 55 A W E -aB 14 54A 7 -33,-2.8 -31,-2.5 -2,-0.3 2,-0.4 -0.971 17.7-161.3-118.1 127.3 26.7 26.8 81.6 47 56 A T E - B 0 53A 0 6,-2.8 6,-2.3 -2,-0.5 -31,-0.2 -0.915 13.3-155.4-107.8 139.7 26.9 23.0 81.0 48 57 A R > + 0 0 66 -2,-0.4 -45,-3.0 4,-0.2 3,-0.6 0.467 65.5 107.0 -88.8 -5.0 23.7 21.0 81.4 49 58 A C G > S+ 0 0 13 -32,-0.3 3,-2.4 1,-0.2 -47,-0.1 -0.313 78.1 15.8 -69.8 158.5 25.8 17.9 82.2 50 59 A N G 3 S- 0 0 30 -49,-0.5 31,-0.3 1,-0.3 -1,-0.2 0.825 143.0 -42.9 45.6 45.8 26.0 16.5 85.7 51 60 A G G < S- 0 0 25 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.2 0.192 105.3 -77.8 90.7 -15.6 22.9 18.4 87.0 52 61 A G < + 0 0 1 -3,-2.4 256,-0.3 1,-0.1 2,-0.3 0.500 64.0 162.9 92.1 125.4 23.8 21.6 85.3 53 62 A H E -B 47 0A 0 -6,-2.3 -6,-2.8 254,-0.1 256,-0.2 -0.986 35.9 -97.6-166.5 162.4 26.4 24.2 86.5 54 63 A W E -Bc 46 309A 0 254,-2.7 256,-2.7 -2,-0.3 2,-0.3 -0.416 26.4-160.5 -82.8 163.4 28.6 27.1 85.5 55 64 A I E -Bc 45 310A 0 -10,-1.8 -10,-1.9 254,-0.2 2,-0.6 -0.917 10.6-147.2-145.9 114.5 32.2 26.8 84.5 56 65 A A E -B 44 0A 0 254,-2.1 -12,-0.2 -2,-0.3 -13,-0.1 -0.784 16.8-172.7 -81.6 124.0 34.6 29.8 84.6 57 66 A T + 0 0 0 -14,-2.3 2,-0.4 -2,-0.6 -1,-0.1 0.699 55.1 71.7 -93.8 -22.4 37.0 29.2 81.7 58 67 A R S >> S- 0 0 10 -15,-0.9 4,-2.7 1,-0.1 3,-0.5 -0.785 76.4-129.4-103.9 140.6 39.5 32.0 82.1 59 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-3.0 257,-0.3 5,-0.2 0.842 108.1 57.1 -48.8 -38.2 42.2 32.3 84.8 60 69 A Q H 3> S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 112.2 40.3 -63.6 -43.6 41.1 35.9 85.6 61 70 A L H <> S+ 0 0 3 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.883 114.7 52.8 -71.4 -40.0 37.6 34.8 86.4 62 71 A I H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.941 112.7 44.6 -61.1 -45.2 38.7 31.7 88.2 63 72 A R H X S+ 0 0 56 -4,-3.0 4,-1.2 -5,-0.2 -2,-0.2 0.917 112.9 51.3 -65.0 -44.6 41.0 33.7 90.4 64 73 A E H X S+ 0 0 61 -4,-2.1 4,-1.6 -5,-0.2 3,-0.4 0.903 109.6 48.7 -60.9 -45.6 38.4 36.4 91.1 65 74 A A H < S+ 0 0 0 -4,-2.5 7,-0.3 1,-0.2 -1,-0.2 0.886 109.1 52.6 -64.7 -39.9 35.7 33.9 92.1 66 75 A Y H < S+ 0 0 4 -4,-1.8 279,-0.5 1,-0.2 -1,-0.2 0.733 109.3 51.0 -67.1 -24.1 38.1 32.1 94.5 67 76 A E H < S+ 0 0 114 -4,-1.2 2,-1.4 -3,-0.4 -1,-0.2 0.821 99.5 68.1 -81.2 -30.7 38.9 35.4 96.1 68 77 A D >X + 0 0 40 -4,-1.6 4,-2.7 1,-0.2 3,-0.9 -0.543 52.9 160.0 -92.7 75.8 35.2 36.3 96.6 69 78 A Y T 34 + 0 0 72 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.698 68.2 69.8 -68.6 -18.6 34.1 33.8 99.3 70 79 A R T 34 S+ 0 0 170 -3,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.836 116.0 22.0 -65.8 -37.3 31.1 36.0 100.1 71 80 A H T <4 S+ 0 0 50 -3,-0.9 222,-2.3 1,-0.2 2,-0.8 0.798 127.7 50.1 -97.5 -38.2 29.4 35.3 96.7 72 81 A F E < S-D 292 0A 0 -4,-2.7 -1,-0.2 -7,-0.3 220,-0.2 -0.833 80.8-165.6-108.6 93.9 31.2 32.0 95.9 73 82 A S E -D 291 0A 5 218,-2.8 218,-2.2 -2,-0.8 -3,-0.1 -0.525 25.8-144.4 -83.8 147.4 30.9 29.8 99.0 74 83 A S S S+ 0 0 1 216,-0.2 2,-2.6 -2,-0.2 -1,-0.1 0.271 73.5 108.3 -89.4 5.4 32.8 26.6 99.7 75 84 A E - 0 0 113 216,-0.2 -1,-0.1 13,-0.1 18,-0.1 -0.464 66.4-171.2 -80.4 66.5 29.8 25.0 101.4 76 85 A C - 0 0 14 -2,-2.6 11,-2.2 213,-0.1 2,-0.2 -0.354 27.5-151.6 -73.3 134.3 29.7 22.8 98.3 77 86 A P E -F 86 0B 28 0, 0.0 9,-0.2 0, 0.0 4,-0.1 -0.478 42.6 -93.9 -87.2 170.0 27.0 20.4 97.2 78 87 A F E - 0 0 0 7,-0.5 7,-0.0 4,-0.2 3,-0.0 -0.346 37.5-102.9 -81.1 173.4 28.4 17.5 95.0 79 88 A I E S+ 0 0 18 1,-0.4 2,-0.1 2,-0.1 -28,-0.1 -0.955 124.4 33.5-136.7 106.3 28.5 17.5 91.2 80 89 A P E S- 0 0 56 0, 0.0 -1,-0.4 0, 0.0 -29,-0.2 0.587 117.3-129.1 -65.4 143.2 26.2 15.7 90.3 81 90 A R E - 0 0 118 -31,-0.3 2,-0.4 -2,-0.1 -2,-0.1 -0.367 17.6-142.2 -70.9 145.0 24.4 17.0 93.4 82 91 A E E > -F 85 0B 43 3,-0.6 3,-1.6 -2,-0.0 -4,-0.2 -0.921 23.9-102.1-111.3 139.5 22.9 14.5 95.8 83 92 A A T 3 S- 0 0 105 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 -0.373 100.5 -7.3 -62.1 125.3 19.6 14.9 97.6 84 93 A G T 3 S+ 0 0 85 -2,-0.1 2,-0.4 1,-0.1 -1,-0.3 0.532 117.1 96.2 66.4 10.7 20.1 15.9 101.3 85 94 A E E < +F 82 0B 97 -3,-1.6 -3,-0.6 -7,-0.0 -7,-0.5 -0.985 40.6 155.1-135.2 144.2 23.9 15.4 101.1 86 95 A A E -F 77 0B 40 -2,-0.4 2,-0.1 -9,-0.2 -10,-0.1 -0.943 49.3 -68.6-155.9 169.0 26.8 17.8 100.6 87 96 A Y + 0 0 47 -11,-2.2 98,-0.0 -2,-0.3 97,-0.0 -0.396 40.9 170.6 -64.6 141.0 30.5 18.1 101.3 88 97 A D + 0 0 48 143,-0.1 -1,-0.1 -2,-0.1 -13,-0.1 -0.002 24.2 143.5-140.5 26.7 31.3 18.7 105.0 89 98 A F > - 0 0 12 145,-0.1 4,-2.1 2,-0.1 143,-0.2 -0.306 51.4 -96.0 -66.3 153.7 35.1 18.4 104.9 90 99 A I T 4 S- 0 0 0 141,-1.4 145,-0.3 2,-0.2 146,-0.2 -0.980 95.2 -7.9-123.1 134.4 37.1 20.6 107.2 91 100 A P T >4 S+ 0 0 6 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.982 129.2 64.3 -94.6 6.9 38.4 23.1 106.5 92 101 A T T 34 S+ 0 0 40 1,-0.3 -2,-0.2 140,-0.1 -5,-0.1 0.735 100.5 51.2 -59.0 -31.4 37.6 22.8 102.8 93 102 A S T 3< S+ 0 0 14 -4,-2.1 2,-0.3 -18,-0.1 -1,-0.3 0.147 100.5 85.4 -95.7 23.3 33.8 22.9 103.0 94 103 A M < - 0 0 12 -3,-1.7 -6,-0.0 -19,-0.1 -18,-0.0 -0.894 65.9-140.5-124.3 154.4 33.9 26.1 105.1 95 104 A D > - 0 0 24 -2,-0.3 4,-1.9 -22,-0.1 3,-0.2 -0.743 44.0 -71.4-107.2 151.1 34.1 29.8 104.3 96 105 A P T 4 S+ 0 0 2 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.485 110.4 42.2 -69.6 159.8 36.1 32.2 106.4 97 106 A P T >> S+ 0 0 95 0, 0.0 3,-0.9 0, 0.0 4,-0.6 -0.938 127.3 37.8 -73.2 -28.6 36.0 33.4 109.1 98 107 A E H 3> S+ 0 0 100 -3,-0.2 4,-0.5 1,-0.2 3,-0.5 0.833 113.3 58.3 -49.8 -43.2 35.0 30.0 110.5 99 108 A Q H >X S+ 0 0 1 -4,-1.9 3,-1.1 1,-0.2 4,-0.9 0.861 91.2 72.5 -57.6 -39.5 37.3 28.1 108.2 100 109 A R H X> S+ 0 0 127 -3,-0.9 4,-1.0 1,-0.3 3,-0.6 0.809 87.2 56.8 -49.9 -47.1 40.5 29.9 109.4 101 110 A Q H 3X S+ 0 0 45 -4,-0.6 4,-0.8 -3,-0.5 119,-0.4 0.841 107.3 52.8 -58.2 -31.4 40.9 28.4 112.8 102 111 A F H X S+ 0 0 2 -4,-1.9 4,-1.6 1,-0.2 3,-1.0 0.899 109.7 53.5 -65.4 -39.5 45.9 21.1 109.4 107 116 A N H 3X S+ 0 0 72 -4,-3.0 4,-1.6 1,-0.3 -1,-0.2 0.816 101.7 61.6 -64.1 -30.0 49.0 23.1 108.5 108 117 A Q H 3< S+ 0 0 119 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.725 108.3 41.3 -70.5 -23.6 50.6 21.7 111.6 109 118 A V H << S+ 0 0 4 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.766 130.6 20.6 -97.0 -29.1 50.3 18.1 110.4 110 119 A V H < S+ 0 0 9 -4,-1.6 243,-0.4 100,-0.1 -2,-0.2 0.343 99.7 114.3-119.9 6.6 51.2 18.3 106.7 111 120 A G S >X S- 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 3,-0.7 0.007 82.8 -77.6 -72.7-178.7 53.2 21.6 106.7 112 121 A M H 3> S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.818 125.1 52.2 -47.4 -52.0 56.8 22.5 106.0 113 122 A P H 3> S+ 0 0 97 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.905 112.5 48.5 -57.0 -38.0 58.3 21.4 109.3 114 123 A V H <> S+ 0 0 16 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.909 109.7 51.3 -66.7 -42.7 56.7 18.0 108.9 115 124 A V H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.911 107.9 53.1 -61.6 -40.3 57.9 17.8 105.3 116 125 A D H < S+ 0 0 92 -4,-2.7 4,-0.4 1,-0.2 3,-0.2 0.929 108.8 49.5 -60.2 -45.0 61.5 18.5 106.5 117 126 A K H >< S+ 0 0 154 -4,-2.0 3,-0.5 1,-0.2 4,-0.3 0.896 112.0 47.8 -60.3 -42.0 61.2 15.7 109.1 118 127 A L H >X S+ 0 0 15 -4,-2.2 4,-2.5 1,-0.2 3,-1.2 0.755 84.3 102.6 -71.0 -24.9 60.0 13.3 106.4 119 128 A E H 3X S+ 0 0 48 -4,-1.8 4,-2.2 1,-0.3 -1,-0.2 0.699 82.9 40.4 -25.9 -56.6 62.8 14.4 104.0 120 129 A N H <> S+ 0 0 92 -3,-0.5 4,-2.7 -4,-0.4 -1,-0.3 0.868 114.8 49.9 -73.0 -33.9 65.0 11.3 104.5 121 130 A R H <> S+ 0 0 134 -3,-1.2 4,-2.6 -4,-0.3 -2,-0.2 0.885 112.3 50.9 -68.8 -37.2 62.2 8.7 104.6 122 131 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.943 112.4 44.9 -63.3 -48.4 61.0 10.3 101.4 123 132 A Q H X S+ 0 0 74 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.909 113.7 51.3 -61.8 -44.2 64.4 10.1 99.8 124 133 A E H X S+ 0 0 107 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.923 110.8 46.3 -61.6 -47.7 64.9 6.5 101.0 125 134 A L H X S+ 0 0 32 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.938 111.9 50.5 -63.1 -47.1 61.6 5.3 99.6 126 135 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.952 115.3 43.6 -56.1 -48.7 62.1 6.9 96.2 127 136 A C H X S+ 0 0 29 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.926 113.7 50.9 -63.2 -45.5 65.5 5.4 95.9 128 137 A S H X S+ 0 0 77 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.898 113.7 43.7 -59.2 -45.9 64.4 2.0 97.2 129 138 A L H X S+ 0 0 16 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.912 115.4 48.5 -67.8 -42.1 61.5 1.7 94.8 130 139 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.882 107.8 54.4 -67.6 -38.2 63.5 3.0 91.8 131 140 A E H < S+ 0 0 43 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.844 107.1 50.2 -64.9 -37.6 66.5 0.6 92.5 132 141 A S H < S+ 0 0 75 -4,-1.3 4,-0.3 -5,-0.2 -1,-0.2 0.828 115.6 43.7 -70.7 -31.4 64.3 -2.5 92.5 133 142 A L H >X>S+ 0 0 9 -4,-1.2 3,-1.7 1,-0.1 4,-0.7 0.867 96.3 78.6 -79.0 -37.6 62.7 -1.4 89.2 134 143 A R G ><5S+ 0 0 39 -4,-2.6 3,-0.9 1,-0.3 -2,-0.1 0.800 91.7 48.2 -40.2 -52.3 66.0 -0.4 87.5 135 144 A P G 345S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.750 100.3 70.1 -65.5 -24.6 67.3 -3.9 86.6 136 145 A Q G <45S- 0 0 106 -3,-1.7 -2,-0.2 -4,-0.3 261,-0.1 0.787 86.3-146.8 -63.9 -33.4 63.9 -4.8 85.0 137 146 A G T <<5S+ 0 0 8 -3,-0.9 260,-2.3 -4,-0.7 2,-0.3 0.666 74.6 53.9 71.4 14.3 64.2 -2.5 82.1 138 147 A Q E < +G 396 0C 122 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.971 57.3 165.7-170.3 158.3 60.4 -2.0 82.3 139 148 A C E -G 395 0C 5 256,-2.1 256,-2.9 -2,-0.3 2,-0.8 -0.971 42.1-116.7-172.9 162.6 57.5 -1.0 84.7 140 149 A N E > -G 394 0C 77 -2,-0.3 4,-2.8 254,-0.2 3,-0.4 -0.889 36.8-162.6-108.2 87.9 53.9 -0.0 85.0 141 150 A F H >>S+ 0 0 0 252,-2.2 5,-2.4 -2,-0.8 4,-2.3 0.813 78.7 57.1 -44.4 -47.8 54.7 3.4 86.5 142 151 A T H 4>S+ 0 0 10 1,-0.2 5,-2.2 3,-0.2 -1,-0.2 0.945 120.9 26.8 -53.7 -54.3 51.2 4.1 88.0 143 152 A E H 45S+ 0 0 112 -3,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.782 124.2 50.1 -82.8 -24.9 51.1 1.0 90.2 144 153 A D H <5S- 0 0 42 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.686 136.2 -12.0 -86.7 -22.8 54.9 0.5 90.6 145 154 A Y T X5S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -3,-0.2 0.499 123.2 64.3-140.9 -54.1 55.8 4.1 91.7 146 155 A A T 4 S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.813 108.6 59.7 -58.0 -35.0 53.3 3.4 96.4 149 158 A F H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 5,-0.2 0.989 116.6 26.6 -60.0 -64.4 55.7 6.3 96.7 150 159 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.895 123.4 52.9 -67.2 -39.6 53.2 9.1 97.9 151 160 A I H X S+ 0 0 3 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.934 109.2 46.9 -63.5 -46.2 50.8 6.7 99.5 152 161 A R H X S+ 0 0 87 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.884 111.9 51.4 -65.6 -35.0 53.3 4.9 101.6 153 162 A I H X S+ 0 0 3 -4,-1.6 4,-2.7 -5,-0.3 -1,-0.2 0.923 112.6 46.8 -66.0 -41.0 54.8 8.2 102.8 154 163 A F H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.899 110.6 50.0 -67.8 -42.1 51.3 9.4 103.7 155 164 A M H X>S+ 0 0 1 -4,-2.7 5,-2.7 2,-0.2 4,-1.1 0.905 112.1 50.4 -61.6 -39.4 50.4 6.2 105.6 156 165 A L H ><5S+ 0 0 66 -4,-2.2 3,-1.0 -5,-0.2 -2,-0.2 0.971 111.7 47.0 -60.8 -51.9 53.7 6.6 107.4 157 166 A L H 3<5S+ 0 0 19 -4,-2.7 53,-2.7 1,-0.3 -2,-0.2 0.857 117.3 43.6 -56.4 -40.5 52.8 10.2 108.3 158 167 A A H 3<5S- 0 0 0 -4,-2.6 53,-0.4 51,-0.2 -1,-0.3 0.548 107.8-124.2 -84.6 -8.8 49.3 9.2 109.4 159 168 A G T <<5 + 0 0 33 -4,-1.1 -3,-0.2 -3,-1.0 -4,-0.1 0.890 59.7 149.3 66.1 39.4 50.5 6.1 111.3 160 169 A L < - 0 0 11 -5,-2.7 -1,-0.2 -6,-0.1 2,-0.1 -0.868 53.9-105.1-109.9 138.7 48.2 3.9 109.2 161 170 A P > - 0 0 66 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.396 22.0-133.8 -60.0 131.5 48.9 0.2 108.4 162 171 A E G > S+ 0 0 104 1,-0.3 3,-1.5 2,-0.2 -7,-0.0 0.728 103.5 71.8 -59.5 -20.8 50.0 -0.2 104.8 163 172 A E G 3 S+ 0 0 162 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.758 89.0 62.9 -66.2 -20.7 47.5 -3.2 104.6 164 173 A D G <> S+ 0 0 39 -3,-2.3 4,-2.4 1,-0.2 5,-0.3 0.566 78.6 92.3 -81.2 -5.7 44.8 -0.5 104.7 165 174 A I H <> S+ 0 0 31 -3,-1.5 4,-3.3 -4,-0.2 5,-0.4 0.916 78.6 52.6 -56.5 -52.6 45.9 1.0 101.4 166 175 A P H > S+ 0 0 92 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.891 114.9 44.2 -52.3 -42.0 43.7 -1.0 98.9 167 176 A H H > S+ 0 0 99 -4,-0.3 4,-1.8 -3,-0.2 -2,-0.2 0.952 118.0 41.3 -67.3 -52.7 40.6 -0.0 100.9 168 177 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.861 113.3 54.6 -64.4 -37.5 41.5 3.7 101.4 169 178 A K H X S+ 0 0 45 -4,-3.3 4,-1.8 -5,-0.3 -1,-0.2 0.893 107.8 50.4 -64.7 -38.7 42.8 4.0 97.8 170 179 A Y H X S+ 0 0 74 -4,-1.6 4,-1.4 -5,-0.4 -1,-0.2 0.910 112.5 47.1 -66.0 -42.4 39.5 2.6 96.5 171 180 A L H X S+ 0 0 2 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.905 110.9 48.9 -67.0 -43.3 37.6 5.2 98.6 172 181 A T H < S+ 0 0 1 -4,-2.7 3,-0.5 1,-0.2 4,-0.5 0.847 108.0 57.0 -66.7 -31.0 39.7 8.2 97.7 173 182 A D H >X S+ 0 0 32 -4,-1.8 4,-2.8 1,-0.2 3,-1.1 0.884 103.0 54.2 -63.6 -40.3 39.2 7.1 94.0 174 183 A Q H 3< S+ 0 0 6 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.732 104.3 55.2 -68.3 -18.8 35.5 7.3 94.5 175 184 A M T 3< S+ 0 0 7 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.544 123.9 21.9 -89.2 -7.8 35.8 10.9 95.8 176 185 A T T <4 S+ 0 0 2 -3,-1.1 210,-2.2 -4,-0.5 211,-0.6 0.710 139.1 14.1-124.4 -47.4 37.7 12.1 92.6 177 186 A R S < S- 0 0 42 -4,-2.8 -2,-0.1 208,-0.2 208,-0.1 -0.589 81.7-163.7-133.4 68.8 37.0 9.8 89.6 178 187 A P - 0 0 45 0, 0.0 -4,-0.1 0, 0.0 -7,-0.0 -0.263 18.2-157.5 -60.1 135.3 34.0 7.7 90.8 179 188 A D - 0 0 111 3,-0.0 -5,-0.1 -2,-0.0 -6,-0.0 0.475 49.9-105.3 -89.3 -4.3 33.2 4.5 88.9 180 189 A G S S+ 0 0 65 2,-0.3 3,-0.1 -6,-0.1 -6,-0.0 0.459 93.6 110.8 96.7 1.2 29.6 4.6 90.1 181 190 A S S S+ 0 0 71 1,-0.1 2,-0.3 2,-0.0 -7,-0.0 0.616 87.2 26.8 -81.5 -13.1 29.7 1.8 92.7 182 191 A M S S- 0 0 50 -8,-0.1 -2,-0.3 -11,-0.0 2,-0.1 -0.984 78.1-124.3-145.3 153.3 29.3 4.5 95.4 183 192 A T > - 0 0 54 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.460 37.0-108.1 -87.7 167.5 27.8 7.9 95.8 184 193 A F H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 122.5 55.2 -64.8 -33.3 30.0 10.7 97.0 185 194 A A H > S+ 0 0 13 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.870 110.7 43.2 -67.2 -37.3 28.0 10.6 100.3 186 195 A E H > S+ 0 0 102 2,-0.2 4,-2.0 3,-0.1 -2,-0.2 0.905 113.9 49.9 -75.3 -41.2 28.7 6.9 100.8 187 196 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.956 114.0 46.2 -61.0 -47.7 32.4 7.1 99.8 188 197 A K H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.900 110.7 51.6 -61.8 -45.1 32.9 10.0 102.2 189 198 A E H X S+ 0 0 99 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.865 107.7 53.2 -62.6 -34.7 31.0 8.3 105.1 190 199 A A H X S+ 0 0 23 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.848 108.1 50.4 -67.9 -35.3 33.2 5.2 104.6 191 200 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.929 113.5 45.6 -66.4 -45.1 36.3 7.3 104.9 192 201 A Y H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.919 109.7 54.6 -62.7 -45.5 34.8 8.8 108.1 193 202 A D H < S+ 0 0 112 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.876 107.7 50.6 -57.4 -39.1 33.8 5.4 109.4 194 203 A Y H X S+ 0 0 30 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.922 113.8 45.0 -65.2 -43.5 37.4 4.2 109.0 195 204 A L H >X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 3,-0.6 0.837 92.8 78.7 -71.5 -38.2 38.8 7.2 110.9 196 205 A I H 3X S+ 0 0 85 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.882 98.7 39.0 -40.1 -62.5 36.4 7.4 113.9 197 206 A P H 3> S+ 0 0 82 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.819 115.0 55.3 -63.8 -27.8 37.9 4.6 116.0 198 207 A I H S- 0 0 31 1,-0.1 4,-2.1 -51,-0.1 3,-0.3 -0.179 83.5-101.5 -64.5 162.8 51.6 10.9 113.8 210 219 A A H > S+ 0 0 7 -53,-2.7 4,-1.9 1,-0.2 5,-0.2 0.820 119.8 53.4 -55.6 -41.1 49.2 13.2 111.8 211 220 A I H > S+ 0 0 4 -53,-0.4 4,-2.8 -54,-0.2 -1,-0.2 0.907 109.7 48.3 -64.2 -41.9 46.0 11.6 113.2 212 221 A S H > S+ 0 0 1 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.913 109.8 52.5 -63.6 -44.4 47.1 12.1 116.8 213 222 A I H < S+ 0 0 45 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.888 114.5 41.5 -60.8 -41.2 48.0 15.7 116.2 214 223 A V H >< S+ 0 0 0 -4,-1.9 3,-2.1 2,-0.2 10,-0.2 0.968 114.6 50.8 -69.9 -52.9 44.6 16.5 114.8 215 224 A A H 3< S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.814 120.5 35.4 -53.4 -37.4 42.7 14.4 117.4 216 225 A N T 3< S+ 0 0 71 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.179 100.5 119.2-103.1 15.6 44.5 16.1 120.2 217 226 A G < - 0 0 9 -3,-2.1 7,-2.3 -5,-0.1 2,-0.4 -0.256 53.8-138.0 -81.7 169.1 44.7 19.5 118.5 218 227 A Q E -I 223 0D 117 5,-0.3 2,-0.6 -117,-0.1 -2,-0.1 -0.943 2.8-150.9-126.7 141.3 43.3 22.9 119.3 219 228 A V E > S-I 222 0D 1 3,-3.4 3,-1.3 -2,-0.4 -117,-0.1 -0.970 83.6 -22.2-115.9 109.5 41.6 25.4 117.0 220 229 A N T 3 S- 0 0 134 -2,-0.6 -1,-0.2 -119,-0.4 -119,-0.1 0.905 129.6 -47.0 56.1 48.9 42.1 28.9 118.2 221 230 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.454 121.2 104.2 76.4 4.2 42.8 27.9 121.8 222 231 A R E < S-I 219 0D 86 -3,-1.3 -3,-3.4 0, 0.0 2,-0.2 -0.880 78.9-104.9-117.8 142.5 39.8 25.6 121.9 223 232 A P E -I 218 0D 83 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.513 34.0-122.2 -69.8 132.2 40.0 21.7 121.7 224 233 A I - 0 0 2 -7,-2.3 2,-0.2 -2,-0.2 -122,-0.0 -0.424 31.1-122.5 -67.6 145.7 38.8 20.3 118.4 225 234 A T > - 0 0 65 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.554 21.2-105.7 -89.1 163.4 35.9 17.9 118.8 226 235 A S H > S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.860 120.9 48.8 -52.0 -42.5 35.9 14.2 117.7 227 236 A D H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.874 110.6 48.5 -68.8 -40.3 33.6 15.1 114.8 228 237 A E H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 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