==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-OCT-08 2ZUJ . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR K.SAKURAI,K.HARADA,H.SHIMADA,K.SHIMOKATA,T.HAYASHI, . 405 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 67.7 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 . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 37.8 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 0 4 0 0 2 0 2 2 0 1 1 0 1 1 0 0 1 0 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 0 190 0, 0.0 2,-0.5 0, 0.0 49,-0.4 0.000 360.0 360.0 360.0-141.0 21.7 -31.2 -1.9 2 11 A L - 0 0 75 47,-0.1 47,-0.2 48,-0.1 3,-0.1 -0.938 360.0-139.0-116.3 123.9 24.0 -28.5 -0.5 3 12 A A - 0 0 25 45,-3.0 49,-0.0 -2,-0.5 46,-0.0 -0.518 38.1 -90.1 -76.6 144.2 27.2 -27.5 -2.2 4 13 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.236 51.0-103.3 -48.6 134.2 30.3 -26.9 -0.1 5 14 A L - 0 0 59 -3,-0.1 6,-0.1 1,-0.1 43,-0.0 -0.464 37.1-117.9 -65.2 122.2 30.4 -23.2 0.9 6 15 A P > - 0 0 31 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.316 24.5-114.0 -59.1 147.8 33.0 -21.3 -1.2 7 16 A P T 3 S+ 0 0 139 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.724 113.1 54.7 -58.5 -24.1 35.9 -19.9 0.9 8 17 A H T 3 S+ 0 0 55 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.483 87.8 91.5 -88.6 -3.4 34.8 -16.2 0.1 9 18 A V S < S- 0 0 7 -3,-2.0 2,-0.2 292,-0.1 5,-0.0 -0.830 70.5-139.8 -98.0 120.0 31.2 -16.6 1.2 10 19 A P > - 0 0 50 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.479 16.9-123.2 -78.8 147.7 30.6 -15.7 4.9 11 20 A E G > S+ 0 0 128 1,-0.3 3,-1.8 2,-0.2 35,-0.1 0.804 106.2 66.8 -58.8 -33.0 28.2 -17.8 6.9 12 21 A H G 3 S+ 0 0 148 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.608 99.3 52.3 -68.3 -12.5 25.9 -14.8 7.8 13 22 A L G < S+ 0 0 13 -3,-1.9 33,-3.0 32,-0.1 2,-0.5 0.414 82.6 114.2 -98.6 1.0 24.9 -14.5 4.1 14 23 A V B < +a 46 0A 27 -3,-1.8 2,-0.4 -4,-0.3 33,-0.2 -0.604 27.8 158.2 -82.5 122.6 23.9 -18.1 3.7 15 24 A F - 0 0 62 31,-2.6 2,-2.0 -2,-0.5 30,-0.1 -0.931 34.6-142.7-141.7 109.2 20.1 -18.7 3.1 16 25 A D + 0 0 60 -2,-0.4 2,-0.3 31,-0.2 31,-0.1 -0.357 33.2 167.1 -82.9 62.8 19.5 -22.1 1.5 17 26 A F - 0 0 8 -2,-2.0 2,-0.7 32,-0.1 32,-0.3 -0.581 25.5-150.3 -75.5 132.5 16.7 -21.2 -0.9 18 27 A D > - 0 0 44 -2,-0.3 3,-1.6 3,-0.2 -2,-0.1 -0.884 5.6-165.1-108.6 103.9 15.9 -23.8 -3.6 19 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.689 90.5 50.0 -62.9 -19.5 14.6 -22.1 -6.7 20 29 A Y T 3 S+ 0 0 48 1,-0.2 364,-0.4 -3,-0.1 -1,-0.3 0.542 131.6 12.0 -94.3 -6.7 13.3 -25.5 -8.0 21 30 A N S < S- 0 0 105 -3,-1.6 -1,-0.2 362,-0.1 -3,-0.2 -0.348 79.2-164.3-164.7 66.5 11.5 -26.5 -4.8 22 31 A P > - 0 0 2 0, 0.0 3,-1.9 0, 0.0 11,-0.1 -0.360 26.1-123.4 -68.1 144.6 11.2 -23.6 -2.4 23 32 A S T 3 S+ 0 0 124 1,-0.3 3,-0.4 2,-0.1 9,-0.1 0.781 108.5 48.4 -60.9 -29.1 10.3 -24.6 1.2 24 33 A N T > S+ 0 0 67 8,-0.2 3,-2.0 1,-0.2 -1,-0.3 0.101 72.3 124.8 -99.6 25.5 7.2 -22.4 1.4 25 34 A L G X + 0 0 20 -3,-1.9 3,-2.0 1,-0.3 357,-0.4 0.790 61.1 67.8 -57.2 -31.9 5.7 -23.6 -2.0 26 35 A S G 3 S+ 0 0 113 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.716 93.8 60.3 -61.3 -21.4 2.4 -24.7 -0.5 27 36 A A G < S- 0 0 50 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.571 130.7 -74.9 -77.2 -11.6 1.6 -21.0 0.3 28 37 A G <> - 0 0 8 -3,-2.0 4,-2.3 -4,-0.3 -1,-0.3 -0.212 44.1 -99.3 115.1 142.1 1.8 -20.1 -3.4 29 38 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.915 122.2 49.8 -70.1 -39.4 5.0 -19.8 -5.4 30 39 A Q H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 112.8 48.9 -60.7 -42.3 5.2 -16.0 -5.3 31 40 A E H > S+ 0 0 56 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.889 108.6 55.1 -60.2 -39.2 4.7 -16.2 -1.5 32 41 A A H >< S+ 0 0 1 -4,-2.3 3,-0.7 1,-0.2 -8,-0.2 0.904 111.8 41.7 -63.3 -41.4 7.4 -18.9 -1.4 33 42 A W H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.837 103.2 69.5 -73.6 -30.8 9.9 -16.6 -3.1 34 43 A A H >< S+ 0 0 22 -4,-2.1 3,-2.1 1,-0.3 -1,-0.2 0.618 76.5 81.3 -68.1 -10.7 8.8 -13.7 -1.0 35 44 A V G X< S+ 0 0 16 -3,-0.7 3,-1.4 -4,-0.6 -1,-0.3 0.790 81.6 67.4 -61.2 -23.0 10.4 -15.3 2.1 36 45 A L G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.598 96.6 54.7 -70.2 -10.0 13.6 -13.8 0.7 37 46 A Q G < S+ 0 0 22 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.139 75.6 126.3-110.4 15.4 12.1 -10.4 1.5 38 47 A E S X S- 0 0 110 -3,-1.4 3,-2.2 1,-0.1 -3,-0.0 -0.429 76.8-103.5 -71.6 154.6 11.4 -11.0 5.2 39 48 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.735 117.1 51.5 -58.8 -30.2 13.0 -8.3 7.5 40 49 A N T 3 S+ 0 0 122 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.397 88.4 96.9 -86.1 -0.8 15.9 -10.5 8.7 41 50 A V S < S- 0 0 7 -3,-2.2 4,-0.1 -6,-0.1 -28,-0.1 -0.820 75.6-124.1 -95.5 124.4 17.1 -11.5 5.2 42 51 A P - 0 0 49 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.113 22.9-110.3 -59.4 167.0 19.9 -9.5 3.7 43 52 A D S S+ 0 0 51 1,-0.2 14,-3.0 256,-0.1 15,-0.5 0.732 109.3 32.6 -68.8 -27.0 19.6 -7.8 0.3 44 53 A L E S+ B 0 56A 4 12,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.979 76.9 173.0-137.7 118.4 22.0 -10.3 -1.2 45 54 A V E - B 0 55A 1 10,-2.3 10,-2.7 -2,-0.4 2,-0.5 -0.804 26.1-129.9-121.7 164.9 22.3 -13.9 0.0 46 55 A W E -aB 14 54A 9 -33,-3.0 -31,-2.6 -2,-0.3 2,-0.4 -0.970 18.1-161.3-112.9 130.6 24.1 -17.1 -0.9 47 56 A T E - B 0 53A 0 6,-3.0 6,-2.2 -2,-0.5 -31,-0.2 -0.909 14.9-154.9-107.2 141.2 22.3 -20.4 -1.3 48 57 A R > + 0 0 67 -2,-0.4 -45,-3.0 4,-0.2 3,-0.6 0.478 67.0 104.5 -86.7 -4.0 24.1 -23.7 -1.3 49 58 A C G > S+ 0 0 11 -32,-0.3 3,-2.3 1,-0.2 -47,-0.1 -0.323 77.4 18.5 -70.1 158.2 21.3 -25.2 -3.3 50 59 A N G 3 S- 0 0 43 -49,-0.4 31,-0.4 1,-0.3 -1,-0.2 0.790 141.9 -46.0 53.2 35.5 21.6 -26.0 -7.0 51 60 A G G < S- 0 0 63 -3,-0.6 -1,-0.3 -50,-0.3 -2,-0.1 0.213 105.3 -71.6 95.4 -11.6 25.4 -25.9 -7.0 52 61 A G < + 0 0 4 -3,-2.3 256,-0.3 1,-0.1 2,-0.3 0.514 65.9 161.2 96.1 123.9 25.6 -22.7 -5.0 53 62 A H E -B 47 0A 0 -6,-2.2 -6,-3.0 254,-0.1 256,-0.2 -0.987 36.8-100.8-164.2 158.3 24.8 -19.2 -6.2 54 63 A W E -Bc 46 309A 1 254,-2.8 256,-3.1 -2,-0.3 2,-0.4 -0.462 28.3-155.8 -76.4 158.5 24.0 -15.7 -5.0 55 64 A I E -Bc 45 310A 0 -10,-2.7 -10,-2.3 254,-0.2 2,-0.5 -0.969 8.2-147.9-136.2 123.5 20.4 -14.3 -5.0 56 65 A A E -B 44 0A 0 254,-2.5 -12,-0.2 -2,-0.4 259,-0.1 -0.807 16.1-173.4 -82.3 126.3 19.6 -10.6 -5.1 57 66 A T + 0 0 0 -14,-3.0 2,-0.3 -2,-0.5 -13,-0.1 0.509 54.1 64.5-103.6 -5.0 16.4 -10.3 -3.1 58 67 A R S >> S- 0 0 7 -15,-0.5 4,-2.5 1,-0.1 3,-0.6 -0.929 77.7-121.7-129.4 145.2 15.4 -6.7 -3.7 59 68 A G H 3> S+ 0 0 0 -2,-0.3 4,-2.9 257,-0.3 5,-0.3 0.843 109.1 57.8 -49.5 -44.5 14.2 -4.6 -6.7 60 69 A Q H 3> S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 112.4 38.8 -55.3 -48.3 17.0 -2.1 -6.4 61 70 A L H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.871 114.7 54.0 -71.1 -39.7 19.8 -4.7 -6.7 62 71 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.957 112.1 44.3 -62.3 -47.6 17.9 -6.8 -9.3 63 72 A R H X S+ 0 0 53 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.941 113.0 51.4 -59.7 -47.6 17.6 -3.7 -11.5 64 73 A E H X S+ 0 0 70 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.928 111.2 46.6 -56.7 -47.5 21.2 -2.6 -11.0 65 74 A A H < S+ 0 0 0 -4,-2.6 7,-0.2 1,-0.2 -1,-0.2 0.878 110.0 53.1 -67.8 -36.5 22.6 -6.0 -11.9 66 75 A Y H < S+ 0 0 8 -4,-2.1 279,-0.5 -5,-0.2 -1,-0.2 0.816 111.6 47.3 -67.3 -29.4 20.4 -6.3 -15.0 67 76 A E H < S+ 0 0 110 -4,-1.9 2,-1.5 1,-0.2 -1,-0.2 0.842 101.1 70.4 -75.9 -33.6 21.6 -2.9 -16.2 68 77 A D >X + 0 0 41 -4,-1.8 4,-2.5 -5,-0.2 3,-0.7 -0.527 51.9 158.2 -91.4 74.5 25.3 -3.7 -15.5 69 78 A Y T 34 + 0 0 62 -2,-1.5 -1,-0.2 1,-0.2 5,-0.1 0.663 67.2 69.5 -71.1 -15.3 26.1 -6.3 -18.2 70 79 A R T 34 S+ 0 0 176 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.904 116.3 22.5 -69.8 -37.9 29.8 -5.6 -17.9 71 80 A H T <4 S+ 0 0 51 -3,-0.7 222,-2.0 1,-0.2 2,-0.7 0.774 128.0 49.6 -91.4 -35.0 30.0 -7.2 -14.5 72 81 A F E < S-D 292 0A 0 -4,-2.5 -1,-0.2 -7,-0.2 220,-0.2 -0.843 80.5-164.5-115.1 93.0 26.9 -9.4 -14.8 73 82 A S E > -D 291 0A 4 218,-2.8 218,-2.2 -2,-0.7 3,-0.6 -0.517 25.3-145.9 -87.6 144.2 27.0 -11.3 -18.0 74 83 A S T 3 S+ 0 0 1 -2,-0.2 -1,-0.1 1,-0.2 215,-0.1 0.380 77.7 100.3 -81.0 6.9 24.2 -13.2 -19.8 75 84 A E T 3 S+ 0 0 126 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.749 95.7 25.6 -67.2 -24.3 26.7 -15.9 -21.0 76 85 A C S < S+ 0 0 6 -3,-0.6 -1,-0.3 1,-0.1 8,-0.2 -0.707 77.9 156.0-136.3 78.9 25.6 -18.3 -18.3 77 86 A P + 0 0 0 0, 0.0 212,-2.7 0, 0.0 2,-0.4 0.478 47.6 71.7 -94.4 -2.4 22.1 -17.1 -17.5 78 87 A F S S- 0 0 11 210,-0.2 6,-0.6 3,-0.1 7,-0.1 -0.869 77.2-113.2-111.3 146.2 20.5 -20.3 -16.0 79 88 A I S S+ 0 0 0 -2,-0.4 2,-0.2 4,-0.1 -28,-0.1 -0.931 90.6 60.2-104.0 137.9 21.2 -22.0 -12.6 80 89 A P S >> S- 0 0 22 0, 0.0 4,-2.2 0, 0.0 3,-1.1 0.527 88.9-125.1 -78.7 170.1 22.4 -24.7 -12.2 81 90 A R H 3> S+ 0 0 84 -31,-0.4 4,-2.9 1,-0.3 5,-0.2 0.844 107.7 56.5 -51.5 -43.4 25.8 -24.0 -13.8 82 91 A E H 3> S+ 0 0 130 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.822 109.8 47.5 -63.1 -30.1 25.7 -26.9 -16.3 83 92 A A H <> S+ 0 0 5 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.933 112.7 47.2 -74.4 -48.7 22.4 -25.5 -17.6 84 93 A G H < S+ 0 0 0 -4,-2.2 -2,-0.2 -6,-0.6 -3,-0.2 0.867 112.6 50.3 -61.0 -35.5 23.7 -22.0 -17.9 85 94 A E H < S+ 0 0 134 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.927 114.8 42.7 -68.7 -42.0 26.9 -23.2 -19.7 86 95 A A H < S+ 0 0 25 -4,-1.6 2,-0.2 -5,-0.2 -2,-0.2 0.790 91.6 102.0 -69.5 -32.0 24.9 -25.3 -22.2 87 96 A Y < + 0 0 12 -4,-2.3 -9,-0.1 1,-0.1 98,-0.0 -0.416 35.6 154.6 -62.0 122.0 22.3 -22.5 -22.7 88 97 A D + 0 0 37 -2,-0.2 -1,-0.1 -12,-0.1 143,-0.1 0.126 14.5 144.2-136.6 21.3 23.1 -20.8 -26.0 89 98 A F > - 0 0 3 145,-0.1 4,-2.6 1,-0.1 143,-0.2 -0.220 51.2 -91.6 -63.4 157.0 19.8 -19.3 -27.2 90 99 A I T 4 S+ 0 0 1 141,-1.5 145,-0.2 1,-0.2 -1,-0.1 -0.964 98.1 1.4-120.7 135.4 20.0 -15.9 -29.0 91 100 A P T >4 S+ 0 0 8 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.994 123.5 65.9 -90.2 1.0 19.7 -13.1 -27.9 92 101 A T T 34 S+ 0 0 22 1,-0.3 -2,-0.2 140,-0.1 7,-0.1 0.818 101.3 48.5 -50.9 -44.5 19.4 -14.3 -24.3 93 102 A S T 3< S+ 0 0 12 -4,-2.6 2,-0.3 -18,-0.1 -1,-0.3 0.296 101.4 84.8 -85.1 7.4 23.0 -15.8 -24.0 94 103 A M < - 0 0 9 -3,-2.0 -6,-0.0 -5,-0.1 -5,-0.0 -0.855 62.4-149.1-113.1 149.2 24.6 -12.7 -25.4 95 104 A D > - 0 0 24 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.744 43.1 -62.1 -98.7 157.8 25.7 -9.4 -23.9 96 105 A P T 4 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.459 113.0 42.7 -59.5 150.9 25.8 -6.1 -25.7 97 106 A P T >4 S+ 0 0 113 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.938 127.4 32.7 -76.3 -22.9 27.3 -5.2 -28.1 98 107 A E T >> S+ 0 0 96 -3,-0.4 4,-0.5 1,-0.3 3,-0.5 0.820 110.4 64.7 -67.8 -30.2 26.7 -8.4 -30.0 99 108 A Q H >X S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 4,-0.6 0.855 90.3 68.8 -56.0 -36.3 23.3 -9.1 -28.5 100 109 A R H X> S+ 0 0 131 -3,-1.0 3,-1.4 1,-0.3 4,-0.7 0.834 88.1 58.2 -61.9 -45.4 21.7 -6.0 -30.1 101 110 A Q H <> S+ 0 0 47 -3,-0.5 4,-0.6 -4,-0.5 119,-0.4 0.786 102.9 56.9 -57.4 -26.7 21.8 -6.9 -33.8 102 111 A F H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 3,-1.1 0.918 108.7 56.5 -58.7 -37.6 13.4 -11.3 -33.3 107 116 A N H 3X S+ 0 0 68 -4,-3.1 4,-2.3 1,-0.3 7,-0.3 0.848 98.6 61.4 -59.7 -35.9 11.2 -8.1 -33.4 108 117 A Q H 3< S+ 0 0 126 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.763 113.1 35.0 -59.8 -29.8 10.2 -9.0 -37.0 109 118 A V H << S+ 0 0 5 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.713 135.5 16.2-103.0 -21.8 8.6 -12.2 -35.9 110 119 A V H < S+ 0 0 12 -4,-1.9 243,-0.4 100,-0.1 -3,-0.2 0.485 98.3 106.8-127.1 -5.3 7.1 -11.5 -32.5 111 120 A G S >X S- 0 0 0 -4,-2.3 4,-2.0 -5,-0.4 3,-0.9 0.074 86.6 -75.5 -74.4-178.4 7.0 -7.7 -32.2 112 121 A M H 3> S+ 0 0 68 1,-0.3 4,-3.7 2,-0.2 5,-0.3 0.851 125.4 54.4 -46.2 -53.4 4.1 -5.2 -32.3 113 122 A P H 3> S+ 0 0 75 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.858 112.2 45.1 -55.8 -35.3 3.5 -5.3 -36.2 114 123 A V H <> S+ 0 0 32 -3,-0.9 4,-0.9 -7,-0.3 -2,-0.2 0.901 115.5 47.3 -67.4 -43.5 3.1 -9.1 -36.0 115 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154 A Y T X5S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 -3,-0.2 0.474 121.8 65.3-145.9 -53.7 -7.2 -23.0 -22.2 146 155 A A T 4 S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.833 108.6 58.7 -62.3 -30.2 -3.9 -24.4 -26.1 149 158 A F H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 5,-0.2 0.993 118.0 25.8 -64.8 -63.0 -4.7 -20.7 -26.5 150 159 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.883 122.7 55.2 -68.9 -33.4 -1.1 -19.2 -26.5 151 160 A I H X S+ 0 0 2 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.935 108.5 46.5 -67.5 -41.1 0.4 -22.4 -27.8 152 161 A R H X S+ 0 0 87 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.860 110.7 52.9 -66.8 -35.7 -1.9 -22.5 -30.9 153 162 A I H X S+ 0 0 4 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.927 114.0 44.7 -60.7 -41.1 -1.3 -18.8 -31.6 154 163 A F H X S+ 0 0 9 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.920 111.1 50.2 -69.2 -46.9 2.5 -19.6 -31.5 155 164 A M H X>S+ 0 0 0 -4,-2.9 5,-2.6 2,-0.2 4,-0.5 0.884 112.9 48.8 -63.0 -36.9 2.4 -22.8 -33.6 156 165 A L H ><5S+ 0 0 70 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.2 0.954 111.5 48.4 -62.5 -52.2 0.4 -20.9 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3.0 -32.5 -26.7 167 176 A H H > S+ 0 0 98 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.946 117.7 44.4 -64.5 -50.8 6.6 -33.2 -27.6 168 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.877 113.1 50.9 -65.6 -38.5 7.7 -29.6 -27.8 169 178 A K H X S+ 0 0 15 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.896 109.2 51.7 -66.9 -38.3 5.9 -28.6 -24.6 170 179 A Y H X S+ 0 0 85 -4,-2.0 4,-1.3 -5,-0.4 -2,-0.2 0.938 112.4 45.6 -61.0 -46.5 7.5 -31.5 -22.8 171 180 A L H X S+ 0 0 2 -4,-2.1 4,-0.8 2,-0.2 3,-0.3 0.913 111.9 51.1 -64.4 -42.2 11.0 -30.4 -23.9 172 181 A T H >X S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-0.8 0.938 108.4 52.5 -60.4 -46.0 10.4 -26.8 -23.1 173 182 A D H 3X S+ 0 0 29 -4,-2.5 4,-2.8 1,-0.3 3,-0.3 0.782 100.7 61.2 -63.9 -29.8 9.3 -27.7 -19.6 174 183 A Q H 3< S+ 0 0 7 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.767 103.8 51.8 -67.5 -20.6 12.5 -29.7 -19.0 175 184 A M H << S+ 0 0 5 -3,-1.5 -1,-0.2 -4,-0.8 -2,-0.2 0.689 123.1 26.3 -87.3 -21.4 14.5 -26.5 -19.5 176 185 A T H < S+ 0 0 2 -4,-0.8 210,-2.1 -3,-0.3 211,-0.4 0.739 140.6 14.1-110.5 -34.9 12.5 -24.4 -17.0 177 186 A R S < S- 0 0 25 -4,-2.8 -2,-0.2 208,-0.2 -1,-0.1 -0.509 82.2-159.9-141.0 65.7 11.1 -27.0 -14.5 178 187 A P - 0 0 56 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.168 15.1-155.5 -59.3 137.9 13.0 -30.2 -15.1 179 188 A D - 0 0 97 3,-0.1 -5,-0.1 0, 0.0 -6,-0.0 0.481 50.4-105.5 -85.3 -5.8 11.4 -33.4 -13.8 180 189 A G S S+ 0 0 68 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.194 99.8 101.2 102.5 -13.3 14.8 -35.1 -13.7 181 190 A S S S+ 0 0 77 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.741 87.8 30.8 -75.5 -22.8 14.5 -37.3 -16.7 182 191 A M S S- 0 0 51 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.999 75.3-130.7-135.0 138.1 16.6 -34.9 -19.0 183 192 A T > - 0 0 74 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.370 37.5-106.5 -71.8 165.7 19.4 -32.5 -18.3 184 193 A F H > S+ 0 0 17 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.931 123.4 54.7 -58.1 -43.3 19.0 -29.0 -19.7 185 194 A A H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 108.5 47.9 -62.1 -38.9 21.6 -29.9 -22.4 186 195 A E H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 112.9 47.6 -66.3 -42.4 19.6 -33.0 -23.4 187 196 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.934 113.1 48.5 -64.8 -44.6 16.4 -31.1 -23.6 188 197 A K H X S+ 0 0 14 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.904 110.8 50.3 -63.7 -39.2 18.1 -28.3 -25.6 189 198 A E H X S+ 0 0 103 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.880 109.4 52.0 -65.8 -36.0 19.7 -30.9 -28.0 190 199 A A H X S+ 0 0 23 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.893 109.7 49.1 -66.1 -39.4 16.3 -32.5 -28.5 191 200 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.922 112.8 47.4 -63.3 -43.9 14.8 -29.1 -29.4 192 201 A Y H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.871 106.2 58.4 -64.6 -37.3 17.6 -28.5 -31.8 193 202 A D H < S+ 0 0 124 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.881 110.5 44.1 -58.9 -38.7 17.1 -32.0 -33.3 194 203 A Y H X S+ 0 0 34 -4,-1.8 4,-0.7 1,-0.1 -2,-0.2 0.926 118.9 42.4 -65.9 -48.9 13.5 -30.9 -34.1 195 204 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.832 96.1 72.3 -74.5 -37.7 14.5 -27.5 -35.5 196 205 A I H X S+ 0 0 87 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.884 101.7 41.3 -52.9 -51.9 17.6 -28.1 -37.6 197 206 A P H > S+ 0 0 77 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.856 114.9 53.4 -65.4 -34.6 15.9 -29.9 -40.6 198 207 A I H X S+ 0 0 28 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.905 108.6 48.9 -65.5 -41.9 12.9 -27.5 -40.5 199 208 A I H X S+ 0 0 3 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.923 112.9 47.0 -62.8 -43.7 15.3 -24.5 -40.7 200 209 A E H >X S+ 0 0 77 -4,-2.2 4,-2.0 -5,-0.2 3,-0.5 0.926 110.8 52.9 -65.4 -43.8 17.2 -26.0 -43.6 201 210 A Q H 3X S+ 0 0 134 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.876 112.6 44.9 -55.6 -39.5 13.8 -26.9 -45.3 202 211 A R H 3< S+ 0 0 43 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.629 107.9 55.6 -87.9 -11.9 12.7 -23.2 -45.0 203 212 A R H << S+ 0 0 76 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.819 114.3 42.8 -80.0 -32.5 16.0 -21.7 -46.1 204 213 A Q H < S+ 0 0 139 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.916 134.3 18.3 -76.4 -46.0 15.6 -23.9 -49.3 205 214 A K S < S- 0 0 168 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.785 88.2-155.0-127.8 84.1 11.8 -23.0 -49.7 206 215 A P - 0 0 80 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.349 12.8-176.7 -62.4 136.0 11.0 -19.9 -47.6 207 216 A G - 0 0 36 2,-0.1 -48,-0.0 -5,-0.1 -5,-0.0 -0.337 40.5-102.6-106.2-161.5 7.5 -19.2 -46.3 208 217 A T S S+ 0 0 142 -2,-0.1 -49,-0.1 4,-0.1 2,-0.0 0.362 82.6 112.2-107.7 1.5 6.0 -16.3 -44.4 209 218 A D S > S- 0 0 28 -51,-0.1 4,-2.4 1,-0.1 -51,-0.2 -0.220 83.7-102.1 -70.1 165.2 6.0 -18.1 -41.0 210 219 A A H > S+ 0 0 5 -53,-2.8 4,-2.4 1,-0.2 5,-0.2 0.836 119.8 52.8 -61.9 -36.8 8.3 -17.0 -38.1 211 220 A I H > S+ 0 0 3 -53,-0.4 4,-3.2 2,-0.2 -1,-0.2 0.940 110.5 48.1 -67.1 -44.2 10.9 -19.8 -38.6 212 221 A S H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.904 111.2 50.9 -58.8 -44.9 11.3 -18.9 -42.3 213 222 A I H < S+ 0 0 61 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.942 115.3 41.1 -62.5 -44.8 11.7 -15.3 -41.5 214 223 A V H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.946 114.4 52.4 -64.4 -47.2 14.4 -16.0 -38.9 215 224 A A H 3< S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.776 118.3 36.1 -64.4 -28.2 16.1 -18.6 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