==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JUN-13 4L4D . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR D.BATABYAL,H.LI,T.L.POULOS . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 66.9 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 . 31 7.7 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 . 53 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 37.5 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+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 1 2 0 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 3 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 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 0 187 0, 0.0 2,-0.6 0, 0.0 49,-0.5 0.000 360.0 360.0 360.0 70.4 4.8 -0.8 -18.8 2 11 A L - 0 0 86 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.903 360.0-134.1-105.0 122.1 2.3 -3.1 -17.0 3 12 A A - 0 0 23 45,-2.9 49,-0.0 -2,-0.6 46,-0.0 -0.504 41.5 -86.8 -70.6 140.3 1.8 -2.6 -13.2 4 13 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.190 50.4-103.4 -49.5 129.7 1.9 -5.8 -11.2 5 14 A L - 0 0 53 -3,-0.1 6,-0.1 1,-0.1 43,-0.1 -0.405 38.9-121.4 -60.1 116.4 -1.6 -7.4 -11.0 6 15 A P > - 0 0 33 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.272 20.7-114.3 -61.3 149.7 -3.1 -6.6 -7.6 7 16 A P T 3 S+ 0 0 139 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.774 110.8 55.8 -57.3 -32.2 -4.1 -9.7 -5.5 8 17 A H T 3 S+ 0 0 46 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.520 89.1 88.2 -81.8 -3.9 -7.9 -9.0 -5.6 9 18 A V S < S- 0 0 5 -3,-1.6 5,-0.1 292,-0.1 294,-0.0 -0.840 74.6-136.9-101.7 116.3 -8.2 -8.9 -9.4 10 19 A P > - 0 0 51 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.387 18.1-121.6 -72.1 150.8 -8.8 -12.3 -11.1 11 20 A E G > S+ 0 0 168 1,-0.3 3,-1.4 2,-0.2 35,-0.1 0.748 106.6 64.9 -63.8 -27.5 -6.7 -13.0 -14.2 12 21 A H G 3 S+ 0 0 142 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.668 97.7 57.1 -74.4 -13.0 -9.7 -13.5 -16.5 13 22 A L G < S+ 0 0 15 -3,-1.4 33,-3.0 32,-0.1 2,-0.4 0.460 82.2 112.0 -92.4 -1.5 -10.7 -9.8 -16.0 14 23 A V B < +a 46 0A 33 -3,-1.4 2,-0.3 31,-0.2 33,-0.2 -0.568 31.4 160.1 -74.6 126.3 -7.3 -8.5 -17.2 15 24 A F - 0 0 53 31,-2.8 2,-2.3 -2,-0.4 30,-0.1 -0.855 34.4-140.4-144.8 111.6 -7.4 -6.7 -20.5 16 25 A D + 0 0 60 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.369 35.1 164.9 -82.0 71.2 -4.4 -4.5 -21.1 17 26 A F - 0 0 9 -2,-2.3 2,-0.7 32,-0.1 32,-0.3 -0.683 26.8-151.6 -89.3 131.4 -5.9 -1.4 -22.7 18 27 A D > - 0 0 47 -2,-0.4 3,-1.2 1,-0.1 -2,-0.0 -0.897 4.7-166.8-104.4 108.1 -3.8 1.8 -22.9 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.716 89.4 49.7 -68.4 -19.9 -6.2 4.8 -22.8 20 29 A Y T 3 S+ 0 0 43 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.504 130.9 13.5 -95.5 -5.9 -3.4 7.2 -23.9 21 30 A N S < S- 0 0 101 -3,-1.2 -1,-0.2 362,-0.1 -2,-0.2 -0.242 78.1-167.2-164.9 63.8 -2.2 5.0 -26.8 22 31 A P > - 0 0 2 0, 0.0 3,-1.6 0, 0.0 11,-0.1 -0.276 29.7-119.9 -61.9 145.6 -4.7 2.2 -27.8 23 32 A S T 3 S+ 0 0 123 1,-0.3 3,-0.3 9,-0.1 10,-0.1 0.679 108.2 49.3 -61.3 -22.6 -3.4 -0.4 -30.1 24 33 A N T > + 0 0 82 1,-0.2 3,-2.1 8,-0.2 4,-0.3 0.140 66.7 124.9-107.2 19.3 -5.9 0.2 -32.9 25 34 A L G X + 0 0 31 -3,-1.6 3,-2.2 1,-0.3 357,-0.3 0.784 65.3 68.2 -51.5 -34.3 -5.6 4.0 -33.1 26 35 A S G 3 S+ 0 0 126 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.820 95.2 54.8 -55.7 -35.8 -4.8 3.7 -36.9 27 36 A A G < S- 0 0 57 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.510 133.2 -77.1 -75.3 -4.1 -8.4 2.6 -37.5 28 37 A G <> - 0 0 8 -3,-2.2 4,-1.9 -4,-0.3 -1,-0.3 -0.144 42.8 -94.7 112.2 145.8 -9.6 5.7 -35.8 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.911 122.8 48.6 -66.1 -43.1 -9.8 6.5 -32.1 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 112.8 50.8 -63.1 -39.4 -13.5 5.4 -31.5 31 40 A E H 4 S+ 0 0 59 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.863 107.6 53.8 -60.4 -38.3 -12.7 2.2 -33.4 32 41 A A H >< S+ 0 0 1 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.896 111.9 43.2 -67.3 -40.0 -9.6 1.7 -31.1 33 42 A W H >< S+ 0 0 0 -4,-2.1 3,-2.2 1,-0.2 -1,-0.2 0.827 101.6 70.2 -72.9 -32.3 -11.7 2.0 -27.9 34 43 A A G >< S+ 0 0 16 -4,-2.1 3,-2.0 1,-0.3 -1,-0.2 0.627 77.0 79.3 -63.1 -14.5 -14.5 -0.2 -29.4 35 44 A V G X S+ 0 0 30 -3,-0.7 3,-1.4 -4,-0.5 -1,-0.3 0.758 82.6 67.8 -60.4 -22.0 -12.1 -3.2 -29.2 36 45 A L G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.561 97.3 53.4 -72.0 -9.5 -13.3 -3.1 -25.5 37 46 A Q G < S+ 0 0 11 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.124 81.3 115.3-115.4 19.3 -16.7 -4.1 -26.8 38 47 A E S X S- 0 0 103 -3,-1.4 3,-2.1 1,-0.1 -3,-0.0 -0.522 83.2-103.3 -82.0 162.0 -15.7 -7.2 -28.7 39 48 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.596 116.1 65.4 -68.2 -10.2 -17.0 -10.5 -27.5 40 49 A N T 3 S+ 0 0 110 2,-0.1 -1,-0.3 1,-0.0 -4,-0.1 0.540 89.9 80.6 -84.6 -7.5 -13.6 -11.5 -25.9 41 50 A V S < S- 0 0 11 -3,-2.1 -28,-0.1 -6,-0.1 4,-0.1 -0.899 76.2-131.3-110.7 124.3 -13.9 -8.7 -23.4 42 51 A P - 0 0 45 0, 0.0 3,-0.2 0, 0.0 -4,-0.1 -0.105 32.4-102.7 -57.4 162.2 -16.0 -8.9 -20.1 43 52 A D S S+ 0 0 56 1,-0.2 14,-2.6 13,-0.1 15,-0.5 0.845 111.9 28.0 -56.3 -35.8 -18.3 -6.0 -19.1 44 53 A L E S+ B 0 56A 4 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.975 79.2 174.5-138.0 114.6 -15.8 -4.8 -16.5 45 54 A V E - B 0 55A 0 10,-2.2 10,-2.2 -2,-0.4 2,-0.5 -0.776 26.8-129.9-121.9 164.2 -12.1 -5.3 -16.9 46 55 A W E -aB 14 54A 9 -33,-3.0 -31,-2.8 -2,-0.3 2,-0.4 -0.963 18.4-161.8-111.5 126.2 -8.8 -4.4 -15.3 47 56 A T E - B 0 53A 0 6,-2.8 6,-2.3 -2,-0.5 -31,-0.2 -0.862 14.1-153.0-101.0 144.7 -5.9 -2.9 -17.4 48 57 A R > + 0 0 78 -2,-0.4 -45,-2.9 4,-0.2 3,-0.6 0.454 66.4 106.9 -88.5 -4.9 -2.3 -3.0 -16.0 49 58 A C G > S+ 0 0 12 -32,-0.3 3,-1.8 1,-0.2 -47,-0.1 -0.386 77.8 15.0 -71.6 151.9 -1.5 0.1 -18.1 50 59 A N G 3 S- 0 0 42 -49,-0.5 31,-0.3 1,-0.3 -1,-0.2 0.819 141.9 -42.0 58.2 38.4 -1.1 3.5 -16.6 51 60 A G G < S- 0 0 61 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.1 0.096 105.4 -74.4 99.1 -21.4 -0.7 2.4 -13.0 52 61 A G < + 0 0 5 -3,-1.8 256,-0.3 1,-0.1 2,-0.3 0.443 66.6 159.0 96.8 121.1 -3.5 -0.2 -13.1 53 62 A H E -B 47 0A 1 -6,-2.3 -6,-2.8 254,-0.1 256,-0.2 -0.989 36.9 -97.1-165.6 163.1 -7.2 0.5 -13.2 54 63 A W E -Bc 46 309A 0 254,-2.6 256,-2.9 -2,-0.3 2,-0.3 -0.447 26.8-161.6 -80.3 158.3 -10.7 -0.7 -14.0 55 64 A I E -Bc 45 310A 0 -10,-2.2 -10,-2.2 254,-0.2 2,-0.4 -0.938 10.0-148.3-140.4 121.8 -12.6 0.1 -17.2 56 65 A A E -B 44 0A 0 254,-2.0 -12,-0.2 -2,-0.3 259,-0.1 -0.728 14.2-173.8 -82.0 135.2 -16.4 -0.3 -17.6 57 66 A T + 0 0 0 -14,-2.6 2,-0.4 -2,-0.4 -13,-0.1 0.500 55.2 71.9-113.3 -5.6 -17.1 -1.2 -21.2 58 67 A R S > S- 0 0 7 -15,-0.5 4,-2.4 1,-0.1 3,-0.3 -0.909 74.8-130.0-120.1 141.3 -20.9 -1.1 -21.3 59 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.5 256,-0.3 5,-0.2 0.865 107.2 58.2 -50.0 -43.6 -23.2 1.9 -21.3 60 69 A Q H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 111.5 40.2 -56.7 -48.1 -25.4 0.3 -18.5 61 70 A L H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.897 113.2 54.4 -67.7 -43.0 -22.4 0.0 -16.1 62 71 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.896 110.6 46.3 -60.2 -42.3 -21.0 3.5 -17.0 63 72 A R H X S+ 0 0 44 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.927 111.8 50.6 -64.7 -48.3 -24.3 5.2 -16.3 64 73 A E H X S+ 0 0 82 -4,-1.8 4,-1.9 -5,-0.2 3,-0.2 0.925 112.1 47.0 -55.1 -48.1 -24.8 3.3 -13.0 65 74 A A H < S+ 0 0 0 -4,-2.4 7,-0.2 1,-0.2 -1,-0.2 0.852 109.6 53.0 -67.4 -35.1 -21.4 4.2 -11.7 66 75 A Y H < S+ 0 0 5 -4,-1.8 279,-0.5 -5,-0.2 -1,-0.2 0.802 112.4 47.1 -68.3 -26.6 -21.7 7.9 -12.8 67 76 A E H < S+ 0 0 115 -4,-1.6 2,-1.7 -3,-0.2 -2,-0.2 0.847 99.6 69.2 -79.0 -36.8 -25.0 8.0 -10.7 68 77 A D >X + 0 0 36 -4,-1.9 4,-2.5 1,-0.2 3,-1.2 -0.511 52.1 159.8 -90.9 71.9 -23.6 6.3 -7.6 69 78 A Y T 34 + 0 0 69 -2,-1.7 -1,-0.2 1,-0.3 5,-0.1 0.709 65.7 74.7 -67.6 -18.8 -21.2 9.0 -6.3 70 79 A R T 34 S+ 0 0 163 -3,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.876 114.8 19.8 -59.7 -36.9 -21.4 7.3 -2.9 71 80 A H T <4 S+ 0 0 50 -3,-1.2 222,-2.3 1,-0.2 2,-0.8 0.774 127.4 52.8-100.7 -32.6 -19.1 4.5 -4.2 72 81 A F E < S-D 292 0A 0 -4,-2.5 -1,-0.2 -7,-0.2 220,-0.2 -0.840 78.5-166.1-111.3 94.4 -17.6 6.3 -7.2 73 82 A S E > -D 291 0A 0 218,-2.9 218,-1.9 -2,-0.8 3,-0.6 -0.523 27.0-143.7 -88.6 147.7 -16.1 9.6 -6.1 74 83 A S T 3 S+ 0 0 0 1,-0.2 -1,-0.1 -2,-0.2 20,-0.1 0.433 79.0 101.9 -84.5 0.2 -15.0 12.5 -8.3 75 84 A E T 3 S+ 0 0 126 1,-0.3 -1,-0.2 216,-0.2 215,-0.1 0.853 97.0 21.1 -46.4 -44.6 -12.2 13.2 -5.8 76 85 A C S < S+ 0 0 7 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.800 76.5 157.7-130.3 84.0 -9.7 11.4 -8.1 77 86 A P + 0 0 3 0, 0.0 212,-2.3 0, 0.0 2,-0.4 0.373 48.8 75.1-100.6 6.4 -11.3 11.5 -11.6 78 87 A F S S- 0 0 14 210,-0.2 6,-0.7 3,-0.1 7,-0.1 -0.943 74.7-113.1-121.3 139.3 -8.2 11.1 -13.8 79 88 A I S S+ 0 0 4 -2,-0.4 2,-0.2 4,-0.1 -28,-0.1 -0.909 90.0 55.6 -98.2 138.5 -5.9 8.2 -14.7 80 89 A P S >> S- 0 0 38 0, 0.0 4,-1.9 0, 0.0 3,-0.9 0.554 87.8-124.9 -81.8 175.9 -3.1 8.0 -13.9 81 90 A R H 3> S+ 0 0 82 -31,-0.3 4,-2.7 1,-0.3 5,-0.2 0.843 106.7 57.7 -55.9 -43.5 -3.3 8.3 -10.1 82 91 A E H 3> S+ 0 0 142 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.836 110.1 45.6 -58.4 -35.3 -0.7 11.1 -9.9 83 92 A A H <> S+ 0 0 8 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.927 113.0 48.5 -73.4 -45.6 -2.9 13.2 -12.2 84 93 A G H < S+ 0 0 0 -4,-1.9 -2,-0.2 -6,-0.7 -1,-0.2 0.824 111.3 51.2 -64.2 -33.6 -6.2 12.4 -10.4 85 94 A E H < S+ 0 0 134 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.872 112.5 44.8 -70.4 -37.4 -4.6 13.2 -7.0 86 95 A A H < S+ 0 0 22 -4,-1.4 2,-0.3 -5,-0.2 -2,-0.2 0.753 90.7 105.1 -75.3 -23.3 -3.4 16.6 -8.2 87 96 A Y < + 0 0 16 -4,-1.6 -9,-0.1 1,-0.2 98,-0.0 -0.416 31.2 150.2 -67.3 117.8 -6.7 17.3 -9.9 88 97 A D + 0 0 40 -2,-0.3 -1,-0.2 -12,-0.1 5,-0.1 0.261 16.5 145.4-135.6 12.3 -8.6 19.8 -7.8 89 98 A F > - 0 0 2 3,-0.1 4,-2.1 1,-0.1 143,-0.2 -0.098 51.2 -93.6 -48.7 147.3 -10.8 21.7 -10.4 90 99 A I T 4 S+ 0 0 0 141,-1.8 145,-0.3 1,-0.2 -1,-0.1 -0.931 96.8 2.8-116.0 138.5 -14.2 22.8 -9.2 91 100 A P T >4 S+ 0 0 8 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.993 123.1 66.3 -82.1 -4.2 -17.0 21.5 -9.4 92 101 A T T 34 S+ 0 0 32 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.670 100.2 47.4 -64.5 -26.7 -15.4 18.4 -11.1 93 102 A S T 3< S+ 0 0 17 -4,-2.1 2,-0.4 -5,-0.1 -1,-0.3 0.262 100.6 86.3 -95.6 10.5 -13.4 17.0 -8.2 94 103 A M < - 0 0 9 -3,-2.1 -6,-0.0 -5,-0.1 -5,-0.0 -0.881 66.3-144.8-109.2 143.9 -16.3 17.4 -5.7 95 104 A D > - 0 0 32 -2,-0.4 4,-2.0 1,-0.1 3,-0.4 -0.589 44.4 -52.1 -90.5 161.8 -19.1 14.9 -5.0 96 105 A P T 4 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.481 116.2 23.8 -63.0 148.9 -22.7 15.9 -4.2 97 106 A P T >> S+ 0 0 113 0, 0.0 3,-0.8 0, 0.0 4,-0.5 -0.998 124.2 50.7 -94.4 -1.8 -23.9 17.7 -2.3 98 107 A E H 3> S+ 0 0 122 -3,-0.4 4,-0.5 1,-0.2 3,-0.4 0.877 108.7 56.7 -54.6 -40.1 -20.8 19.9 -2.0 99 108 A Q H >X S+ 0 0 10 -4,-2.0 4,-1.9 1,-0.2 3,-0.7 0.814 89.4 80.2 -59.2 -32.4 -20.6 20.1 -5.8 100 109 A R H <> S+ 0 0 174 -3,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.838 89.8 43.8 -52.5 -52.7 -24.1 21.6 -6.1 101 110 A Q H 3X S+ 0 0 78 -4,-0.5 4,-0.7 -3,-0.4 -1,-0.2 0.786 114.1 50.8 -70.7 -26.6 -23.6 25.3 -5.2 102 111 A F H X S+ 0 0 5 -4,-2.0 4,-2.2 1,-0.2 3,-0.9 0.912 108.0 52.6 -57.1 -45.6 -20.9 27.4 -13.5 107 116 A N H 3X S+ 0 0 81 -4,-2.8 4,-1.6 1,-0.3 7,-0.3 0.858 103.8 59.0 -60.1 -34.8 -24.4 27.3 -15.0 108 117 A Q H 3< S+ 0 0 120 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.781 114.7 34.5 -61.3 -30.2 -24.6 31.0 -14.6 109 118 A V H << S+ 0 0 4 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.724 134.6 17.2-106.2 -23.9 -21.6 31.6 -16.7 110 119 A V H < S+ 0 0 11 -4,-2.2 243,-0.5 -5,-0.1 -3,-0.2 0.313 101.5 100.6-129.4 8.2 -21.6 28.9 -19.4 111 120 A G S >X S- 0 0 0 -4,-1.6 4,-1.4 -5,-0.3 3,-0.9 0.043 90.7 -63.9 -85.4-166.7 -25.3 27.6 -19.4 112 121 A M H 3> S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.836 126.1 54.9 -45.1 -49.5 -28.3 28.3 -21.5 113 122 A P H 3> S+ 0 0 83 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.826 107.8 50.4 -67.8 -26.0 -28.8 32.0 -20.8 114 123 A V H <> S+ 0 0 16 -3,-0.9 4,-2.9 -7,-0.3 -2,-0.2 0.805 106.8 55.2 -76.6 -32.4 -25.2 32.8 -21.9 115 124 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><5S+ 0 0 74 -4,-2.1 3,-1.0 3,-0.2 -2,-0.2 0.959 111.9 48.1 -59.6 -52.8 -14.9 36.5 -25.5 157 166 A L H 3<5S+ 0 0 13 -4,-2.7 53,-2.4 1,-0.3 -2,-0.2 0.852 118.7 39.8 -56.7 -38.6 -17.1 34.9 -22.9 158 167 A A H 3<5S- 0 0 0 -4,-2.3 53,-0.3 51,-0.2 -1,-0.3 0.444 108.0-122.9 -93.4 -2.5 -14.3 35.0 -20.3 159 168 A G T <<5 + 0 0 37 -3,-1.0 -3,-0.2 -4,-0.7 -4,-0.1 0.901 61.5 144.5 60.3 42.3 -13.0 38.4 -21.3 160 169 A L < - 0 0 10 -5,-2.6 2,-0.2 -6,-0.1 -1,-0.2 -0.835 54.5-102.6-110.8 148.8 -9.5 37.1 -22.0 161 170 A P > - 0 0 55 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.493 18.5-134.6 -76.2 138.8 -7.2 38.3 -24.8 162 171 A E G > S+ 0 0 94 1,-0.3 3,-1.4 -2,-0.2 -6,-0.0 0.722 101.4 72.7 -60.6 -21.6 -6.8 36.1 -27.8 163 172 A E G 3 S+ 0 0 154 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.777 91.2 59.8 -63.7 -23.3 -3.0 36.6 -27.7 164 173 A D G <> S+ 0 0 45 -3,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.554 79.2 92.5 -81.3 -11.0 -3.1 34.3 -24.6 165 174 A I H <> S+ 0 0 29 -3,-1.4 4,-3.1 -4,-0.2 5,-0.3 0.909 79.1 53.7 -50.4 -54.5 -4.6 31.3 -26.6 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-3.6 17.8 -19.0 176 185 A T H < S+ 0 0 3 -4,-1.4 210,-2.1 1,-0.2 211,-0.6 0.815 137.0 21.1 -94.3 -39.0 -5.9 15.8 -21.4 177 186 A R S < S- 0 0 29 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 -0.586 89.4-154.1-128.7 71.5 -3.3 14.4 -23.8 178 187 A P - 0 0 61 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.108 15.4-165.1 -56.7 140.7 -0.1 14.5 -21.8 179 188 A D - 0 0 119 3,-0.2 4,-0.1 -5,-0.1 -5,-0.1 0.524 41.4-117.6 -97.5 -14.5 3.2 14.7 -23.6 180 189 A G S S+ 0 0 72 2,-0.4 3,-0.1 -6,-0.2 -6,-0.0 0.354 89.5 114.2 84.3 -4.8 5.4 13.7 -20.6 181 190 A S S S+ 0 0 69 1,-0.2 2,-0.3 -7,-0.0 -7,-0.0 0.747 86.0 4.1 -69.3 -27.6 6.9 17.2 -21.1 182 191 A M S S- 0 0 42 -8,-0.1 -2,-0.4 0, 0.0 -1,-0.2 -0.978 85.0 -99.3-156.3 150.2 5.5 18.3 -17.8 183 192 A T > - 0 0 74 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.284 33.5-114.5 -67.2 154.9 3.6 16.8 -14.9 184 193 A F H > S+ 0 0 22 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.923 120.2 53.4 -49.5 -47.5 -0.2 17.2 -14.6 185 194 A A H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.891 108.1 48.2 -57.5 -46.0 0.5 19.2 -11.4 186 195 A E H > S+ 0 0 110 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.874 112.7 49.1 -62.0 -39.1 2.9 21.5 -13.2 187 196 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.946 112.3 47.6 -67.1 -47.9 0.4 22.0 -16.0 188 197 A K H X S+ 0 0 15 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.944 112.5 48.5 -54.8 -52.9 -2.4 22.8 -13.6 189 198 A E H X S+ 0 0 80 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.800 107.6 55.8 -63.9 -29.0 -0.3 25.2 -11.6 190 199 A A H X S+ 0 0 25 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.921 111.7 43.5 -65.2 -42.9 0.8 27.0 -14.8 191 200 A L H X S+ 0 0 1 -4,-2.0 4,-1.7 2,-0.2 3,-0.3 0.903 113.6 52.3 -67.5 -39.5 -2.8 27.5 -15.6 192 201 A Y H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.939 105.6 53.2 -62.1 -46.9 -3.5 28.5 -12.0 193 202 A D H < S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.754 108.4 52.1 -61.6 -24.5 -0.7 31.1 -12.0 194 203 A Y H X S+ 0 0 34 -4,-1.0 4,-0.7 -3,-0.3 -1,-0.2 0.878 113.4 43.0 -74.0 -40.9 -2.2 32.7 -15.1 195 204 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 -3,-0.2 5,-0.3 0.848 98.1 76.2 -75.3 -35.0 -5.6 33.0 -13.5 196 205 A I H X S+ 0 0 82 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.856 98.8 39.0 -48.9 -53.4 -4.4 34.3 -10.1 197 206 A P H > S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.893 116.2 53.4 -66.9 -37.4 -3.6 37.9 -11.0 198 207 A I H X S+ 0 0 20 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.899 107.9 49.6 -60.3 -45.7 -6.7 38.2 -13.3 199 208 A I H X S+ 0 0 3 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.889 110.4 50.6 -63.9 -39.5 -9.1 37.0 -10.6 200 209 A E H >X S+ 0 0 85 -4,-1.7 4,-2.0 -5,-0.3 3,-0.7 0.937 110.8 49.0 -63.0 -46.4 -7.6 39.5 -8.1 201 210 A Q H 3X S+ 0 0 121 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.889 112.7 48.2 -57.6 -39.1 -8.1 42.3 -10.7 202 211 A R H 3< S+ 0 0 39 -4,-2.2 5,-0.3 1,-0.2 -1,-0.2 0.562 107.7 54.5 -88.1 -6.7 -11.6 41.2 -11.3 203 212 A R H << S+ 0 0 72 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.825 113.7 41.9 -81.1 -41.8 -12.5 41.0 -7.6 204 213 A Q H < S+ 0 0 124 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.870 132.4 23.8 -73.9 -39.5 -11.3 44.6 -7.1 205 214 A K S < S- 0 0 183 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.766 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-2,-0.2 0.666 117.0 38.3 -60.1 -17.1 -14.8 35.5 -8.9 216 225 A N T 3< S+ 0 0 71 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.263 93.1 110.1-117.4 10.7 -17.6 37.5 -7.2 217 226 A G < - 0 0 12 -3,-1.7 7,-1.8 -4,-0.2 2,-0.4 -0.075 63.1-110.5 -79.6-177.8 -20.3 34.9 -6.7 218 227 A Q E +H 223 0C 116 5,-0.2 2,-0.3 -117,-0.1 -1,-0.1 -0.942 31.6 167.6-119.5 139.0 -21.6 33.3 -3.5 219 228 A V E > S+H 222 0C 2 3,-2.2 3,-2.0 -2,-0.4 -117,-0.0 -0.987 70.4 9.0-139.6 147.3 -21.3 29.8 -2.0 220 229 A N T 3 S- 0 0 125 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.811 127.6 -63.9 57.4 32.9 -22.2 28.6 1.5 221 230 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.624 122.1 80.9 67.9 14.6 -23.8 31.9 2.4 222 231 A R E < S-H 219 0C 81 -3,-2.0 -3,-2.2 3,-0.0 -1,-0.2 -0.874 90.9 -73.1-143.1 170.0 -20.4 33.7 2.0 223 232 A P E -H 218 0C 89 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.436 52.8-107.0 -69.3 144.4 -18.2 35.1 -0.7 224 233 A I - 0 0 2 -7,-1.8 2,-0.1 -10,-0.2 -4,-0.0 -0.368 39.6-116.6 -61.6 145.2 -16.3 32.6 -2.9 225 234 A T > - 0 0 58 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.443 17.1-114.9 -81.4 161.6 -12.6 32.6 -2.0 226 235 A S H > S+ 0 0 49 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.866 119.6 53.4 -60.5 -35.1 -9.8 33.6 -4.4 227 236 A D H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 109.2 45.4 -64.4 -51.1 -8.7 29.9 -4.3 228 237 A E H > S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.897 111.0 53.9 -59.9 -42.3 -12.1 28.5 -5.2 229 238 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.914 110.2 48.3 -58.9 -41.8 -12.6 31.1 -8.0 230 239 A K H X S+ 0 0 24 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.889 108.6 52.4 -64.3 -43.0 -9.2 29.9 -9.4 231 240 A R H X S+ 0 0 48 -4,-2.2 -141,-1.8 1,-0.2 4,-0.9 0.793 114.7 43.3 -67.4 -27.6 -10.1 26.2 -9.2 232 241 A M H X S+ 0 0 1 -4,-1.7 4,-2.1 -143,-0.2 -2,-0.2 0.894 112.2 48.8 -84.2 -45.1 -13.3 26.9 -11.1 233 242 A C H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.846 106.5 60.9 -64.3 -31.7 -12.0 29.2 -13.8 234 243 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.938 106.0 45.5 -56.4 -47.9 -9.3 26.7 -14.3 235 244 A L H X S+ 0 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