==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(OXYGENASE) 06-APR-87 2CPP . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 68.1 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 . 32 7.9 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 . 2 0.5 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 . 15 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 14.6 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 . 4 1.0 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 1 2 0 0 2 0 2 2 0 1 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 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 4 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 . 3 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 0 192 0, 0.0 49,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 89.0 46.6 25.8 32.2 2 11 A L - 0 0 87 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.872 360.0-132.0-103.0 129.5 44.9 23.5 29.7 3 12 A A - 0 0 24 45,-2.7 2,-0.0 -2,-0.4 49,-0.0 -0.636 35.9 -94.2 -81.8 147.6 41.1 23.8 29.2 4 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.344 50.3 -99.2 -63.0 138.2 39.2 20.5 29.2 5 14 A L - 0 0 57 1,-0.1 6,-0.0 2,-0.1 47,-0.0 -0.435 35.1-122.3 -64.3 131.3 38.7 19.3 25.6 6 15 A P > - 0 0 32 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.360 28.7-107.9 -65.7 158.5 35.2 20.1 24.2 7 16 A P T 3 S+ 0 0 136 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.770 112.5 58.3 -61.1 -33.0 33.2 17.0 23.1 8 17 A H T 3 S+ 0 0 39 2,-0.1 294,-0.3 1,-0.0 -3,-0.0 0.513 83.9 96.6 -81.3 -3.0 33.6 17.6 19.3 9 18 A V S < S- 0 0 8 -3,-1.4 2,-0.1 292,-0.1 5,-0.1 -0.814 71.8-134.2 -97.3 118.0 37.4 17.6 19.3 10 19 A P > - 0 0 48 0, 0.0 3,-2.1 0, 0.0 36,-0.2 -0.348 17.0-131.5 -65.8 131.0 39.1 14.3 18.3 11 20 A E G > S+ 0 0 176 1,-0.3 3,-1.2 2,-0.2 35,-0.1 0.746 104.9 66.2 -61.0 -19.4 41.9 13.7 20.7 12 21 A H G 3 S+ 0 0 141 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.563 95.5 57.2 -78.6 -12.2 44.2 13.1 17.8 13 22 A L G < S+ 0 0 14 -3,-2.1 33,-2.4 28,-0.1 2,-0.3 0.379 80.8 114.6 -97.4 2.5 43.9 16.7 16.7 14 23 A V B < +a 46 0A 33 -3,-1.2 2,-0.3 31,-0.2 33,-0.2 -0.619 28.4 158.3 -78.0 127.5 45.1 18.0 20.1 15 24 A F - 0 0 56 31,-2.7 2,-1.8 -2,-0.3 30,-0.1 -0.833 34.6-140.9-147.3 110.6 48.5 19.9 19.9 16 25 A D + 0 0 55 -2,-0.3 2,-0.3 31,-0.2 31,-0.1 -0.431 33.5 165.0 -86.3 75.8 48.9 22.2 23.0 17 26 A F - 0 0 9 -2,-1.8 2,-0.7 32,-0.1 32,-0.4 -0.622 26.9-152.3 -89.1 129.3 50.6 25.3 21.5 18 27 A D > - 0 0 48 -2,-0.3 3,-1.5 3,-0.1 -2,-0.0 -0.941 2.4-163.8-104.5 96.3 50.6 28.5 23.6 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.644 92.2 49.8 -55.0 -22.4 50.7 31.4 21.1 20 29 A Y T 3 S+ 0 0 39 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.462 128.9 16.9 -90.3 -21.5 51.7 33.6 24.0 21 30 A N S < S- 0 0 100 -3,-1.5 -1,-0.2 362,-0.1 -2,-0.2 -0.303 77.0-173.1-153.0 72.4 54.5 31.4 25.2 22 31 A P > - 0 0 3 0, 0.0 3,-1.3 0, 0.0 11,-0.1 -0.307 31.3-118.5 -72.4 149.7 55.6 28.8 22.6 23 32 A S T 3 S+ 0 0 118 1,-0.3 3,-0.4 9,-0.2 10,-0.1 0.790 105.4 49.2 -56.9 -44.1 58.1 26.2 23.8 24 33 A N T > + 0 0 79 8,-0.2 3,-2.3 1,-0.2 4,-0.3 0.023 66.7 131.5 -87.7 20.0 61.0 26.9 21.5 25 34 A L G X + 0 0 30 -3,-1.3 3,-2.4 1,-0.3 357,-0.3 0.806 64.6 65.3 -46.8 -36.6 61.1 30.6 22.0 26 35 A S G 3 S+ 0 0 130 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.795 96.9 56.0 -52.2 -39.5 64.9 30.5 22.6 27 36 A A G < S- 0 0 55 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.521 129.8 -76.7 -69.7 -14.0 65.4 29.4 19.0 28 37 A G <> - 0 0 7 -3,-2.4 4,-2.1 -4,-0.3 -1,-0.3 -0.214 40.3 -97.7 120.2 146.8 63.6 32.5 17.6 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.916 122.3 50.0 -67.9 -42.1 59.8 33.2 17.5 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.944 113.3 47.6 -60.5 -46.1 59.4 32.1 13.8 31 40 A E H 4 S+ 0 0 61 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.913 108.4 55.2 -64.3 -35.3 61.2 28.9 14.6 32 41 A A H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 -8,-0.2 0.911 112.3 43.1 -64.5 -45.3 59.0 28.4 17.8 33 42 A W H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 -1,-0.2 0.822 100.3 69.4 -67.6 -39.4 55.9 28.7 15.6 34 43 A A G >< S+ 0 0 22 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.589 76.5 83.5 -60.3 -10.4 57.2 26.5 12.8 35 44 A V G X S+ 0 0 31 -3,-0.8 3,-1.1 -4,-0.4 -1,-0.3 0.751 81.3 65.7 -59.3 -31.1 57.0 23.5 15.2 36 45 A L G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.568 97.1 55.2 -63.8 -20.4 53.3 23.5 14.0 37 46 A Q G < S+ 0 0 7 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.301 78.6 117.6-101.4 7.6 54.5 22.5 10.6 38 47 A E S X S- 0 0 109 -3,-1.1 3,-2.5 1,-0.1 -3,-0.0 -0.466 81.0-105.0 -68.6 158.5 56.5 19.4 11.5 39 48 A S T 3 S+ 0 0 128 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.656 117.0 63.1 -54.8 -31.0 55.3 16.1 10.0 40 49 A N T 3 S+ 0 0 116 2,-0.1 -1,-0.3 1,-0.0 -4,-0.0 0.516 90.6 84.4 -73.5 -6.4 53.9 14.9 13.3 41 50 A V S < S- 0 0 7 -3,-2.5 -28,-0.1 -6,-0.1 -26,-0.1 -0.886 76.1-132.3-111.6 126.3 51.3 17.8 13.3 42 51 A P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.177 30.6-107.6 -63.4 163.4 48.0 17.6 11.5 43 52 A D S S+ 0 0 49 1,-0.2 14,-2.9 13,-0.1 15,-0.5 0.616 109.1 32.2 -62.5 -35.7 47.1 20.6 9.3 44 53 A L E S+ B 0 56A 6 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.940 79.0 173.9-131.3 123.1 44.4 21.8 11.7 45 54 A V E - B 0 55A 0 10,-2.1 10,-2.3 -2,-0.3 2,-0.4 -0.735 27.6-129.1-129.3 161.7 44.9 21.2 15.4 46 55 A W E -aB 14 54A 11 -33,-2.4 -31,-2.7 -2,-0.3 2,-0.4 -0.981 19.9-159.8-109.7 131.7 43.2 22.1 18.7 47 56 A T E - B 0 53A 0 6,-3.0 6,-2.1 -2,-0.4 -31,-0.2 -0.918 13.2-152.8-110.4 143.6 45.2 23.6 21.5 48 57 A R > + 0 0 79 -2,-0.4 -45,-2.7 4,-0.2 3,-0.7 0.367 67.5 100.0 -87.9 -7.6 44.0 23.5 25.1 49 58 A C G > S+ 0 0 11 -32,-0.4 3,-1.8 1,-0.2 -47,-0.1 -0.500 79.0 21.6 -79.3 161.9 45.9 26.7 25.9 50 59 A N G 3 S- 0 0 45 -49,-0.5 31,-0.4 1,-0.3 -1,-0.2 0.758 141.1 -50.7 51.7 35.5 44.4 30.1 26.2 51 60 A G G < S- 0 0 57 -3,-0.7 -1,-0.3 -50,-0.3 -2,-0.2 0.280 102.2 -68.2 90.8 -5.8 40.9 28.6 26.7 52 61 A G < + 0 0 7 -3,-1.8 256,-0.3 1,-0.1 2,-0.3 0.515 65.4 161.5 91.4 125.9 41.0 26.2 23.7 53 62 A H E -B 47 0A 0 -6,-2.1 -6,-3.0 254,-0.1 256,-0.2 -0.968 36.8-104.5-165.0 161.2 41.0 27.1 20.0 54 63 A W E -Bc 46 309A 0 254,-2.2 256,-3.1 -2,-0.3 2,-0.3 -0.522 27.2-160.6 -85.5 161.9 41.8 25.7 16.6 55 64 A I E -Bc 45 310A 0 -10,-2.3 -10,-2.1 254,-0.2 2,-0.4 -0.954 10.1-146.3-144.9 127.5 44.9 26.6 14.7 56 65 A A E -B 44 0A 0 254,-1.9 -12,-0.2 -2,-0.3 -13,-0.1 -0.787 13.7-170.4 -91.6 133.8 45.3 26.1 10.9 57 66 A T + 0 0 0 -14,-2.9 2,-0.3 -2,-0.4 -13,-0.1 0.437 55.0 72.7-106.5 -9.2 49.0 25.3 10.2 58 67 A R S > S- 0 0 7 -15,-0.5 4,-2.3 1,-0.1 3,-0.4 -0.881 75.4-127.6-118.4 141.9 49.2 25.5 6.4 59 68 A G H > S+ 0 0 0 -2,-0.3 4,-1.9 256,-0.3 5,-0.2 0.771 108.6 56.0 -53.5 -38.6 49.2 28.4 4.0 60 69 A Q H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.904 111.4 43.3 -62.4 -43.9 46.4 26.8 1.9 61 70 A L H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.811 113.1 52.4 -69.0 -45.4 44.0 26.5 4.9 62 71 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.905 111.5 44.9 -57.2 -48.1 44.9 30.0 6.2 63 72 A R H X S+ 0 0 50 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.910 113.4 51.7 -62.3 -45.1 44.1 31.6 2.8 64 73 A E H >X S+ 0 0 69 -4,-1.8 4,-1.4 1,-0.2 3,-0.5 0.910 110.8 46.7 -61.3 -47.0 40.9 29.6 2.5 65 74 A A H 3< S+ 0 0 1 -4,-2.3 7,-0.2 1,-0.3 -1,-0.2 0.829 110.5 54.0 -63.5 -38.7 39.7 30.6 5.9 66 75 A Y H 3< S+ 0 0 5 -4,-1.9 279,-0.6 1,-0.2 -1,-0.3 0.702 109.4 47.4 -67.3 -30.8 40.6 34.2 5.3 67 76 A E H << S+ 0 0 119 -4,-1.2 2,-1.3 -3,-0.5 -1,-0.2 0.756 99.1 73.9 -73.1 -39.5 38.6 34.3 2.1 68 77 A D X + 0 0 36 -4,-1.4 4,-2.7 1,-0.2 3,-0.5 -0.694 47.9 155.7 -74.0 48.8 35.6 32.6 3.7 69 78 A Y T 4 + 0 0 75 -2,-1.3 -1,-0.2 1,-0.2 5,-0.1 0.710 67.9 70.8 -59.2 -21.2 34.1 35.4 5.9 70 79 A R T 4 S+ 0 0 170 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.918 117.1 19.9 -56.0 -45.2 30.7 33.7 5.7 71 80 A H T 4 S+ 0 0 47 -3,-0.5 222,-1.8 1,-0.2 2,-0.8 0.833 127.6 50.7 -93.0 -37.4 32.0 30.9 8.0 72 81 A F E < S-D 292 0A 1 -4,-2.7 -1,-0.2 -7,-0.2 220,-0.2 -0.841 78.6-164.3-110.8 97.2 35.0 32.6 9.6 73 82 A S E > -D 291 0A 4 218,-2.9 218,-2.2 -2,-0.8 3,-0.5 -0.537 25.2-143.1 -90.8 147.1 33.9 36.0 11.0 74 83 A S T 3 S+ 0 0 0 -2,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.363 77.5 103.2 -76.2 -4.6 36.1 38.9 12.1 75 84 A E T 3 S+ 0 0 117 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.875 94.9 19.9 -50.4 -41.5 33.7 39.6 14.9 76 85 A C S < S+ 0 0 1 -3,-0.5 -1,-0.3 1,-0.1 8,-0.2 -0.814 75.9 157.2-134.4 87.8 36.0 38.0 17.5 77 86 A P + 0 0 2 0, 0.0 212,-2.7 0, 0.0 2,-0.4 0.560 48.1 77.0 -98.0 -12.3 39.5 37.9 16.0 78 87 A F S S- 0 0 11 210,-0.2 6,-0.7 3,-0.1 7,-0.1 -0.840 76.0-113.0-102.6 149.3 41.7 37.8 19.1 79 88 A I S S+ 0 0 2 -2,-0.4 2,-0.1 4,-0.2 -28,-0.1 -0.879 91.5 55.4-116.0 133.9 42.4 34.9 21.3 80 89 A P S >> S- 0 0 29 0, 0.0 4,-1.9 0, 0.0 3,-1.3 0.611 89.9-124.6 -77.0 165.7 41.7 34.5 24.2 81 90 A R H 3> S+ 0 0 79 -31,-0.4 4,-3.1 1,-0.3 5,-0.2 0.814 108.2 59.6 -47.3 -43.6 37.9 34.9 23.7 82 91 A E H 3> S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.850 109.1 45.3 -57.6 -37.7 37.6 37.7 26.3 83 92 A A H <> S+ 0 0 10 -3,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.912 114.4 47.4 -69.5 -48.3 40.1 39.7 24.2 84 93 A G H < S+ 0 0 0 -4,-1.9 -2,-0.2 -6,-0.7 -1,-0.2 0.828 113.0 50.7 -63.8 -32.3 38.2 38.9 21.0 85 94 A E H < S+ 0 0 139 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.950 111.8 45.3 -69.3 -43.1 34.9 39.8 22.6 86 95 A A H < S+ 0 0 19 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.2 0.671 91.1 106.1 -70.1 -25.9 36.2 43.1 23.9 87 96 A Y < + 0 0 13 -4,-1.3 -9,-0.1 1,-0.2 98,-0.0 -0.529 31.7 152.3 -65.4 119.4 37.7 43.8 20.4 88 97 A D + 0 0 39 -2,-0.5 -1,-0.2 -12,-0.1 5,-0.1 0.213 17.3 144.2-136.7 20.9 35.6 46.4 18.5 89 98 A F > - 0 0 2 3,-0.1 4,-3.0 145,-0.1 143,-0.2 -0.174 47.6-100.5 -61.3 149.5 38.1 48.0 16.2 90 99 A I T 4 S+ 0 0 0 141,-1.3 145,-0.3 1,-0.3 -2,-0.1 -0.954 94.6 8.1-118.2 140.8 36.9 49.1 12.7 91 100 A P T >4 S+ 0 0 7 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 -0.990 124.3 61.4 -82.0 -4.3 37.2 47.9 10.1 92 101 A T T 34 S+ 0 0 32 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.809 98.6 52.3 -63.4 -32.4 38.7 44.8 11.5 93 102 A S T 3< S+ 0 0 18 -4,-3.0 2,-0.4 -18,-0.1 -1,-0.3 0.432 101.0 83.3 -87.1 12.9 35.8 43.5 13.7 94 103 A M < - 0 0 14 -3,-1.4 -6,-0.0 -5,-0.2 -5,-0.0 -0.860 65.7-146.3-113.8 150.2 33.4 43.7 10.7 95 104 A D >> - 0 0 36 -2,-0.4 4,-1.6 1,-0.1 3,-0.5 -0.578 43.4 -54.5-103.8 157.0 32.7 41.4 7.8 96 105 A P T 34 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.268 113.9 31.2 -59.1 145.6 31.8 42.4 4.3 97 106 A P T >4 S+ 0 0 112 0, 0.0 3,-0.7 0, 0.0 4,-0.4 -0.992 125.5 44.3 -92.8 -9.5 29.7 44.1 3.1 98 107 A E T X> S+ 0 0 123 -3,-0.5 3,-0.9 1,-0.2 4,-0.8 0.855 107.7 62.0 -55.0 -44.1 29.6 46.4 6.1 99 108 A Q H 3X S+ 0 0 7 -4,-1.6 4,-2.5 1,-0.2 3,-0.5 0.836 88.3 74.0 -52.4 -40.9 33.4 46.5 6.4 100 109 A R H <> S+ 0 0 166 -3,-0.7 4,-1.9 1,-0.3 -1,-0.2 0.755 93.0 47.9 -50.5 -44.5 33.8 48.1 2.9 101 110 A Q H <> S+ 0 0 55 -3,-0.9 4,-1.3 -4,-0.4 -1,-0.3 0.845 114.3 47.9 -71.0 -36.3 32.7 51.6 3.7 102 111 A F H X S+ 0 0 10 -4,-0.8 4,-2.1 -3,-0.5 -2,-0.2 0.874 110.9 51.0 -70.7 -40.2 34.9 51.8 6.7 103 112 A R H X S+ 0 0 63 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.944 104.5 58.1 -62.3 -43.1 37.9 50.4 4.8 104 113 A A H X S+ 0 0 55 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.899 109.6 44.3 -54.8 -41.3 37.4 53.0 2.1 105 114 A L H X S+ 0 0 3 -4,-1.3 4,-0.9 2,-0.2 3,-0.3 0.877 111.1 51.3 -71.5 -45.4 37.8 55.8 4.7 106 115 A A H >X S+ 0 0 1 -4,-2.1 4,-1.0 1,-0.2 3,-0.7 0.868 106.1 57.5 -60.2 -36.3 40.8 54.2 6.5 107 116 A N H 3X S+ 0 0 72 -4,-3.0 4,-2.1 1,-0.3 3,-0.3 0.823 97.2 63.1 -61.7 -32.5 42.4 54.0 3.0 108 117 A Q H 3< S+ 0 0 122 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.865 111.5 36.3 -58.3 -41.3 42.0 57.7 2.7 109 118 A V H << S+ 0 0 6 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.451 131.8 22.4 -82.9 -35.6 44.3 58.2 5.6 110 119 A V H < S+ 0 0 12 -4,-1.0 243,-0.4 -3,-0.3 -3,-0.2 0.380 96.2 111.1-113.4 -15.0 47.0 55.5 5.3 111 120 A G S >X S- 0 0 0 -4,-2.1 4,-1.6 -5,-0.3 3,-1.1 0.130 85.1 -74.0 -58.5-177.0 46.9 54.6 1.6 112 121 A M H 3> S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.820 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4,-0.6 0.881 110.7 49.0 -60.2 -30.6 52.6 60.7 15.4 156 165 A L H <5S+ 0 0 76 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.3 0.888 111.5 47.2 -72.2 -44.2 53.1 63.2 12.6 157 166 A L H <5S+ 0 0 16 -4,-1.5 53,-2.1 1,-0.2 -2,-0.2 0.917 118.7 41.3 -64.1 -44.2 50.4 61.7 10.4 158 167 A A H <5S- 0 0 0 -4,-2.9 53,-0.4 51,-0.2 -1,-0.2 0.386 105.5-126.6 -79.5 -19.1 48.0 61.6 13.2 159 168 A G T <5 + 0 0 35 -4,-0.6 -3,-0.2 -3,-0.3 -4,-0.1 0.887 58.9 144.0 65.0 46.2 48.9 65.0 14.6 160 169 A L < - 0 0 11 -5,-2.1 -1,-0.2 -6,-0.1 2,-0.2 -0.901 55.6 -96.9-115.1 147.7 49.5 63.7 18.1 161 170 A P > - 0 0 48 0, 0.0 3,-2.6 0, 0.0 4,-0.2 -0.389 18.9-136.3 -70.1 133.0 52.2 64.8 20.6 162 171 A E G > S+ 0 0 98 1,-0.3 3,-1.6 -2,-0.2 -7,-0.0 0.740 101.4 74.3 -56.0 -22.8 55.4 62.9 20.8 163 172 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.750 88.7 58.7 -61.9 -27.9 55.1 63.2 24.5 164 173 A D G <> S+ 0 0 45 -3,-2.6 4,-2.6 1,-0.2 3,-0.3 0.502 77.0 97.5 -84.0 -6.9 52.3 60.6 24.5 165 174 A I H <> S+ 0 0 32 -3,-1.6 4,-3.2 1,-0.2 5,-0.3 0.874 80.7 49.0 -47.8 -56.2 54.5 57.9 22.9 166 175 A P H > S+ 0 0 95 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.867 115.2 42.8 -54.6 -45.7 55.4 56.1 26.1 167 176 A H H > S+ 0 0 98 -3,-0.3 4,-1.9 -4,-0.3 -2,-0.2 0.964 118.4 45.0 -67.6 -49.3 51.8 55.9 27.5 168 177 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -3,-0.2 0.849 112.2 51.9 -61.4 -40.8 50.3 54.9 24.1 169 178 A K H X S+ 0 0 13 -4,-3.2 4,-2.3 -5,-0.3 -1,-0.2 0.889 106.8 53.5 -66.4 -38.1 53.0 52.4 23.4 170 179 A Y H X S+ 0 0 98 -4,-1.6 4,-1.3 -5,-0.3 -1,-0.2 0.937 111.6 45.1 -62.0 -48.6 52.5 50.7 26.8 171 180 A L H X S+ 0 0 5 -4,-1.9 4,-0.8 1,-0.2 3,-0.3 0.874 111.2 52.3 -64.2 -41.9 48.8 50.3 26.0 172 181 A T H >X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 3,-0.9 0.888 108.9 51.5 -58.8 -44.4 49.3 49.0 22.5 173 182 A D H 3X S+ 0 0 41 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.745 102.1 59.5 -62.9 -35.6 51.7 46.4 23.8 174 183 A Q H 3< S+ 0 0 9 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.751 105.2 51.5 -62.9 -30.9 49.2 45.2 26.4 175 184 A M H << S+ 0 0 3 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.811 122.1 26.6 -76.9 -37.4 46.9 44.4 23.5 176 185 A T H < S+ 0 0 2 -4,-1.1 210,-2.4 1,-0.1 211,-0.4 0.767 136.3 23.9 -97.3 -34.5 49.3 42.3 21.4 177 186 A R S < S- 0 0 26 -4,-2.5 -2,-0.1 -5,-0.2 -1,-0.1 -0.465 84.4-155.1-135.5 67.2 51.7 40.9 24.0 178 187 A P - 0 0 51 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.098 13.5-166.1 -53.9 131.2 49.9 40.9 27.3 179 188 A D - 0 0 108 3,-0.1 4,-0.1 4,-0.0 -5,-0.1 0.627 47.2-109.1 -81.0 -37.0 52.0 41.1 30.4 180 189 A G S S+ 0 0 74 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.160 98.7 106.2 106.3 -7.5 49.2 40.1 32.8 181 190 A S S S+ 0 0 63 1,-0.2 2,-0.3 2,-0.0 -7,-0.0 0.797 87.6 13.2 -69.5 -34.5 49.3 43.7 34.0 182 191 A M S S- 0 0 40 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.998 73.1-122.1-148.0 145.2 46.1 44.6 32.2 183 192 A T > - 0 0 84 -2,-0.3 4,-2.1 -3,-0.1 5,-0.2 -0.400 36.7-110.5 -72.3 161.7 43.2 42.8 30.6 184 193 A F H > S+ 0 0 20 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.885 119.3 53.9 -62.8 -45.5 42.4 43.7 26.9 185 194 A A H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 109.8 47.6 -58.7 -40.6 39.2 45.5 27.9 186 195 A E H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 113.9 46.2 -65.1 -48.6 41.2 47.6 30.4 187 196 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.914 113.5 50.2 -62.2 -44.3 43.9 48.5 27.8 188 197 A K H X S+ 0 0 19 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.884 109.7 50.5 -62.3 -40.9 41.2 49.2 25.2 189 198 A E H X S+ 0 0 91 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.896 108.6 51.1 -63.8 -41.8 39.3 51.5 27.6 190 199 A A H X S+ 0 0 29 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.816 109.6 49.6 -66.1 -39.1 42.4 53.5 28.5 191 200 A L H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.814 111.7 50.7 -66.7 -36.3 43.3 54.0 24.8 192 201 A Y H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.876 104.2 56.1 -70.7 -35.7 39.7 55.1 24.3 193 202 A D H < S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.831 109.7 49.0 -60.7 -39.2 39.9 57.6 27.3 194 203 A Y H X S+ 0 0 32 -4,-1.3 4,-0.7 -5,-0.2 -2,-0.2 0.952 115.6 40.5 -61.4 -56.4 42.9 59.1 25.4 195 204 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.831 96.8 74.8 -68.9 -45.5 41.1 59.4 22.0 196 205 A I H X S+ 0 0 65 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.896 99.6 42.7 -34.6 -61.0 37.6 60.6 23.0 197 206 A P H > S+ 0 0 57 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.884 114.7 51.6 -60.9 -40.5 38.5 64.2 23.8 198 207 A I H X S+ 0 0 22 -4,-0.7 4,-1.9 1,-0.2 -2,-0.2 0.884 109.1 49.0 -63.1 -48.2 40.8 64.5 20.8 199 208 A I H X S+ 0 0 2 -4,-2.9 4,-0.9 2,-0.2 -1,-0.2 0.914 111.2 51.1 -59.1 -44.3 38.1 63.2 18.4 200 209 A E H >X S+ 0 0 105 -4,-2.3 4,-1.8 -5,-0.3 3,-0.6 0.900 110.7 48.2 -54.4 -50.4 35.6 65.7 19.9 201 210 A Q H 3X S+ 0 0 112 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.834 112.3 49.8 -57.5 -41.0 38.1 68.5 19.5 202 211 A R H 3< S+ 0 0 37 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.505 106.3 54.1 -85.7 -8.4 38.7 67.5 15.9 203 212 A R H << S+ 0 0 81 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.844 116.4 40.0 -86.9 -39.7 35.0 67.3 14.9 204 213 A Q H < S+ 0 0 149 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.934 134.3 19.0 -68.7 -54.4 34.6 70.9 16.2 205 214 A K S < S- 0 0 73 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 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117.3 37.8 -61.0 -26.7 36.4 62.1 12.7 216 225 A N T 3< S+ 0 0 73 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.139 93.6 123.4-112.2 15.0 34.7 64.1 9.9 217 226 A G < - 0 0 9 -3,-1.6 7,-2.5 6,-0.1 2,-0.4 -0.293 57.2-121.9 -82.2 167.0 34.4 61.3 7.2 218 227 A Q E -H 223 0C 112 5,-0.2 2,-0.4 -117,-0.1 3,-0.1 -0.932 24.3-178.8-110.5 133.8 31.4 60.0 5.4 219 228 A V E > S-H 222 0C 1 3,-3.0 3,-1.5 -2,-0.4 -117,-0.1 -0.998 75.2 -5.2-135.3 124.4 30.3 56.3 5.6 220 229 A N T 3 S- 0 0 120 -2,-0.4 -1,-0.2 1,-0.3 -118,-0.0 0.952 129.0 -59.7 53.1 52.1 27.3 55.1 3.7 221 230 A G T 3 S+ 0 0 63 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.293 122.9 85.8 63.7 -5.8 26.5 58.6 2.6 222 231 A R E < S-H 219 0C 95 -3,-1.5 -3,-3.0 1,-0.1 2,-0.1 -0.729 87.6 -80.3-117.6 169.8 26.1 59.9 6.2 223 232 A P E -H 218 0C 82 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.379 45.1-109.4 -69.7 146.6 28.5 61.2 8.8 224 233 A I - 0 0 2 -7,-2.5 2,-0.1 -10,-0.1 -4,-0.0 -0.366 35.7-120.1 -69.1 149.3 30.7 58.8 10.9 225 234 A T > - 0 0 61 1,-0.1 4,-2.0 -9,-0.0 5,-0.1 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