==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-MAY-98 5CP4 . COMPND 2 MOLECULE: CYTOCHROME P450CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR H.LI,T.L.POULOS . 406 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 69.0 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 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 37.9 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 3 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 9 A A 0 0 114 0, 0.0 2,-0.8 0, 0.0 49,-0.0 0.000 360.0 360.0 360.0 138.3 3.9 26.4 31.6 2 10 A N - 0 0 160 2,-0.0 50,-0.4 47,-0.0 2,-0.4 -0.869 360.0-162.3-101.4 101.3 7.6 26.3 32.4 3 11 A L - 0 0 75 -2,-0.8 47,-0.2 47,-0.1 3,-0.1 -0.696 14.0-132.0 -85.8 133.0 9.4 28.5 29.9 4 12 A A - 0 0 28 45,-2.5 -1,-0.0 -2,-0.4 46,-0.0 -0.650 40.8 -83.6 -82.9 143.6 13.1 28.0 29.5 5 13 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.199 52.2-105.4 -49.5 121.6 15.3 31.1 29.6 6 14 A L - 0 0 47 1,-0.1 6,-0.1 2,-0.1 43,-0.1 -0.238 36.6-118.6 -52.5 120.9 15.5 32.7 26.1 7 15 A P > - 0 0 31 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 -0.410 21.4-116.9 -65.3 140.9 18.9 32.0 24.6 8 16 A P T 3 S+ 0 0 139 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.724 111.5 56.9 -46.5 -33.4 20.9 35.2 23.8 9 17 A H T 3 S+ 0 0 50 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.520 86.6 91.6 -82.5 -5.0 20.9 34.5 20.0 10 18 A V S < S- 0 0 6 -3,-2.6 2,-0.1 292,-0.1 5,-0.1 -0.827 76.0-132.3 -97.8 116.0 17.1 34.4 19.7 11 19 A P > - 0 0 51 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.393 16.2-128.7 -61.9 138.1 15.4 37.7 18.9 12 20 A E G > S+ 0 0 158 1,-0.3 3,-1.2 2,-0.2 35,-0.1 0.786 105.0 63.6 -62.6 -26.3 12.4 38.4 21.1 13 21 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.618 97.8 57.9 -72.9 -12.7 10.1 39.1 18.2 14 22 A L G < S+ 0 0 14 -3,-1.8 33,-2.5 32,-0.1 -1,-0.3 0.485 82.6 111.4 -93.6 -2.9 10.6 35.5 17.0 15 23 A V B < +a 47 0A 33 -3,-1.2 2,-0.2 -4,-0.3 33,-0.2 -0.498 30.4 159.0 -76.9 135.2 9.3 34.0 20.3 16 24 A F - 0 0 53 31,-2.4 2,-2.3 -2,-0.2 30,-0.1 -0.777 33.8-141.9-155.0 102.2 6.0 32.2 20.4 17 25 A D + 0 0 56 -2,-0.2 2,-0.4 31,-0.2 31,-0.1 -0.380 33.7 165.3 -74.8 69.9 5.5 29.8 23.3 18 26 A F - 0 0 8 -2,-2.3 2,-0.8 32,-0.1 32,-0.3 -0.709 27.4-148.4 -85.1 129.3 3.7 26.9 21.6 19 27 A D > - 0 0 39 -2,-0.4 3,-1.6 3,-0.2 -2,-0.0 -0.882 5.8-164.7-102.6 104.3 3.6 23.6 23.7 20 28 A M T 3 S+ 0 0 0 -2,-0.8 -1,-0.1 1,-0.3 14,-0.0 0.671 90.2 50.8 -61.5 -19.8 3.7 20.7 21.3 21 29 A Y T 3 S+ 0 0 44 1,-0.2 364,-0.5 -3,-0.1 -1,-0.3 0.555 128.8 16.3 -95.3 -7.8 2.6 18.4 24.1 22 30 A N S < S- 0 0 99 -3,-1.6 -1,-0.2 362,-0.1 -3,-0.2 -0.318 78.9-161.4-162.5 67.0 -0.4 20.5 25.2 23 31 A P > - 0 0 2 0, 0.0 3,-1.5 0, 0.0 11,-0.1 -0.227 24.4-123.3 -55.6 140.6 -1.4 23.2 22.7 24 32 A S T 3 S+ 0 0 114 1,-0.3 3,-0.3 9,-0.2 10,-0.1 0.804 107.4 43.3 -54.9 -40.8 -3.5 26.0 24.0 25 33 A N T > S+ 0 0 78 8,-0.2 3,-1.7 1,-0.2 -1,-0.3 -0.062 71.5 130.5-104.2 40.0 -6.5 25.6 21.7 26 34 A L G X + 0 0 26 -3,-1.5 3,-2.3 1,-0.3 357,-0.3 0.799 61.3 69.8 -59.7 -32.3 -6.6 21.8 22.0 27 35 A S G 3 S+ 0 0 125 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.744 94.0 57.6 -59.5 -24.9 -10.4 21.9 22.7 28 36 A A G < S- 0 0 60 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.441 130.8 -75.7 -84.6 -3.6 -11.0 23.0 19.1 29 37 A G <> - 0 0 9 -3,-2.3 4,-1.9 -4,-0.2 -1,-0.3 -0.186 42.3 -97.6 117.8 150.2 -9.2 19.9 17.7 30 38 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.905 121.8 49.6 -70.8 -41.4 -5.5 19.1 17.6 31 39 A Q H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 113.4 48.9 -63.3 -39.4 -4.9 20.2 14.0 32 40 A E H > S+ 0 0 65 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.885 108.5 53.6 -64.4 -40.5 -6.8 23.5 14.7 33 41 A A H >< S+ 0 0 0 -4,-1.9 3,-0.6 1,-0.2 -8,-0.2 0.872 112.7 43.2 -62.7 -38.9 -4.6 23.9 17.9 34 42 A W H >< S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.828 102.2 68.4 -75.9 -31.9 -1.5 23.5 15.8 35 43 A A H >< S+ 0 0 21 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.629 79.2 79.1 -63.5 -13.9 -2.8 25.8 13.0 36 44 A V G X< S+ 0 0 19 -3,-0.6 3,-1.8 -4,-0.5 -1,-0.3 0.826 82.4 67.1 -63.2 -26.3 -2.6 28.8 15.4 37 45 A L G < S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.570 96.9 55.3 -67.9 -10.6 1.1 28.7 14.4 38 46 A Q G < S+ 0 0 10 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.221 80.6 117.9-109.7 14.4 -0.0 29.7 11.0 39 47 A E S X S- 0 0 102 -3,-1.8 3,-2.0 1,-0.1 -3,-0.0 -0.392 80.8-103.7 -77.2 160.5 -2.0 32.8 11.9 40 48 A S T 3 S+ 0 0 131 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.760 118.1 61.0 -55.4 -29.0 -0.9 36.3 10.6 41 49 A N T 3 S+ 0 0 106 2,-0.0 -1,-0.3 1,-0.0 -4,-0.1 0.591 91.7 82.5 -77.8 -6.2 0.7 37.3 13.9 42 50 A V S < S- 0 0 7 -3,-2.0 -28,-0.1 -6,-0.1 4,-0.1 -0.852 76.5-132.2-107.0 124.0 3.2 34.4 13.8 43 51 A P - 0 0 44 0, 0.0 3,-0.1 0, 0.0 15,-0.1 -0.208 30.0-107.0 -62.2 164.2 6.5 34.5 11.8 44 52 A D S S+ 0 0 49 1,-0.2 14,-2.9 13,-0.1 15,-0.6 0.721 110.2 31.8 -65.8 -25.7 7.4 31.6 9.5 45 53 A L E S+ B 0 57A 6 12,-0.2 2,-0.2 13,-0.1 -1,-0.2 -0.955 80.4 170.5-138.6 113.3 10.1 30.4 11.9 46 54 A V E - B 0 56A 0 10,-2.0 10,-1.9 -2,-0.4 2,-0.5 -0.732 28.8-126.3-120.2 170.8 9.6 30.9 15.6 47 55 A W E -aB 15 55A 11 -33,-2.5 -31,-2.4 -2,-0.2 2,-0.4 -0.980 17.7-160.4-120.7 123.6 11.2 29.9 18.9 48 56 A T E - B 0 54A 0 6,-3.1 6,-2.4 -2,-0.5 -31,-0.2 -0.843 11.6-157.0-104.1 140.5 9.2 28.4 21.7 49 57 A R > + 0 0 76 -2,-0.4 -45,-2.5 4,-0.2 3,-0.5 0.493 65.6 102.8 -88.8 -8.5 10.6 28.4 25.2 50 58 A C G > S+ 0 0 5 -32,-0.3 3,-2.4 1,-0.2 -47,-0.1 -0.298 77.9 20.4 -70.9 163.6 8.4 25.4 26.1 51 59 A N G 3 S- 0 0 43 -49,-0.3 31,-0.4 1,-0.3 -1,-0.2 0.843 143.7 -44.9 45.0 43.4 9.8 21.9 26.4 52 60 A G G < S- 0 0 60 -3,-0.5 -1,-0.3 -50,-0.4 -2,-0.2 0.202 104.3 -74.7 91.3 -15.2 13.4 23.1 26.9 53 61 A G < + 0 0 7 -3,-2.4 256,-0.3 1,-0.1 2,-0.3 0.532 66.0 156.8 93.5 122.7 13.2 25.7 24.1 54 62 A H E -B 48 0A 0 -6,-2.4 -6,-3.1 -4,-0.1 256,-0.2 -0.982 38.0 -94.4-167.5 164.4 13.4 25.0 20.4 55 63 A W E -Bc 47 310A 0 254,-2.7 256,-3.0 -2,-0.3 2,-0.3 -0.346 26.6-161.3 -82.2 163.7 12.6 26.3 16.9 56 64 A I E -Bc 46 311A 0 -10,-1.9 -10,-2.0 254,-0.2 2,-0.5 -0.922 10.7-147.8-148.7 115.1 9.4 25.5 14.9 57 65 A A E -B 45 0A 0 254,-2.1 -12,-0.2 -2,-0.3 259,-0.1 -0.801 14.5-171.8 -81.6 129.7 9.1 26.0 11.1 58 66 A T + 0 0 0 -14,-2.9 2,-0.4 -2,-0.5 -13,-0.1 0.531 55.5 74.3-102.5 -7.8 5.4 26.9 10.5 59 67 A R S > S- 0 0 7 -15,-0.6 4,-2.3 1,-0.1 3,-0.5 -0.868 75.6-129.7-114.3 143.7 5.3 26.8 6.7 60 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.6 257,-0.3 5,-0.2 0.868 108.1 57.9 -52.5 -41.3 5.3 23.9 4.3 61 69 A Q H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 110.4 40.7 -57.8 -46.4 8.1 25.5 2.3 62 70 A L H > S+ 0 0 1 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.858 113.2 54.3 -72.2 -37.3 10.5 25.6 5.2 63 71 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.940 111.2 45.3 -62.7 -45.2 9.5 22.2 6.5 64 72 A R H X S+ 0 0 55 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.929 113.5 50.9 -64.1 -44.2 10.3 20.6 3.1 65 73 A E H X S+ 0 0 72 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.893 111.6 45.6 -58.7 -49.4 13.6 22.5 2.8 66 74 A A H < S+ 0 0 0 -4,-2.6 7,-0.2 1,-0.2 -1,-0.2 0.889 110.9 53.6 -63.9 -40.8 14.8 21.5 6.3 67 75 A Y H < S+ 0 0 6 -4,-2.3 279,-0.4 -5,-0.2 -1,-0.2 0.799 111.0 47.0 -65.4 -28.7 13.8 17.9 5.7 68 76 A E H < S+ 0 0 121 -4,-1.6 2,-1.4 1,-0.2 3,-0.2 0.814 101.4 68.0 -80.6 -31.2 15.8 17.9 2.4 69 77 A D >X + 0 0 46 -4,-1.7 4,-2.7 1,-0.2 3,-1.0 -0.502 51.7 157.0 -91.9 71.2 18.9 19.5 3.9 70 78 A Y T 34 + 0 0 73 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.754 66.1 74.6 -66.1 -20.8 20.2 16.8 6.3 71 79 A R T 34 S+ 0 0 176 -3,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.890 115.2 18.7 -58.0 -41.6 23.6 18.4 6.1 72 80 A H T <4 S+ 0 0 48 -3,-1.0 222,-1.9 1,-0.2 2,-0.7 0.734 128.3 54.8 -97.9 -32.8 22.5 21.2 8.3 73 81 A F E < S-D 293 0A 0 -4,-2.7 2,-0.2 -7,-0.2 -1,-0.2 -0.811 77.9-166.2-109.7 93.4 19.4 19.5 9.8 74 82 A S E > -D 292 0A 4 218,-2.6 218,-1.8 -2,-0.7 3,-0.7 -0.528 25.6-148.4 -85.9 143.0 20.5 16.1 11.4 75 83 A S T 3 S+ 0 0 1 -2,-0.2 -1,-0.1 1,-0.2 20,-0.1 0.461 77.1 100.8 -81.9 -4.8 18.2 13.3 12.5 76 84 A E T 3 S+ 0 0 137 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.810 98.7 22.3 -51.4 -33.1 20.7 12.4 15.2 77 85 A C S < S+ 0 0 5 -3,-0.7 -1,-0.3 1,-0.1 9,-0.2 -0.750 78.7 153.3-135.4 78.2 18.4 14.2 17.8 78 86 A P + 0 0 2 0, 0.0 212,-2.5 0, 0.0 2,-0.3 0.495 48.5 77.9 -89.3 -5.7 15.0 14.2 16.0 79 87 A F S S- 0 0 16 210,-0.2 6,-0.8 3,-0.2 7,-0.1 -0.835 76.0-114.4-110.9 146.6 12.7 14.3 19.1 80 88 A I S S+ 0 0 3 -2,-0.3 2,-0.2 4,-0.2 -28,-0.1 -0.935 89.1 57.1-110.9 138.0 11.8 17.2 21.4 81 89 A P S >> S- 0 0 28 0, 0.0 4,-2.3 0, 0.0 3,-1.2 0.530 88.8-122.5 -73.9 170.3 12.6 17.4 24.3 82 90 A R H 3> S+ 0 0 83 -31,-0.4 4,-2.1 1,-0.3 5,-0.2 0.868 110.7 55.6 -42.6 -52.3 16.4 17.2 24.2 83 91 A E H 3> S+ 0 0 126 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.805 110.3 46.2 -55.3 -36.6 16.5 14.2 26.5 84 92 A A H <> S+ 0 0 7 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.949 110.6 50.7 -73.3 -50.6 14.1 12.3 24.2 85 93 A G H < S+ 0 0 0 -4,-2.3 -2,-0.2 -6,-0.8 -1,-0.2 0.783 112.5 48.2 -59.2 -29.5 15.9 13.2 21.0 86 94 A E H < S+ 0 0 129 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.913 112.6 45.2 -77.8 -43.1 19.3 12.0 22.5 87 95 A A H < S+ 0 0 22 -4,-1.6 2,-0.4 -5,-0.2 -2,-0.2 0.735 91.3 103.3 -71.3 -22.2 18.0 8.7 23.9 88 96 A Y < + 0 0 12 -4,-1.9 -9,-0.1 1,-0.1 98,-0.0 -0.505 35.9 153.7 -66.2 117.3 16.3 8.1 20.6 89 97 A D + 0 0 40 -2,-0.4 -1,-0.1 143,-0.1 5,-0.1 0.149 14.0 146.4-133.3 19.2 18.4 5.7 18.7 90 98 A F > - 0 0 3 3,-0.1 4,-2.1 145,-0.1 143,-0.2 -0.165 49.6 -95.6 -57.3 152.0 16.0 3.9 16.3 91 99 A I T 4 S+ 0 0 0 141,-1.0 145,-0.2 1,-0.2 -1,-0.1 -0.946 98.6 5.0-116.0 138.2 17.3 2.8 12.9 92 100 A P T >4 S+ 0 0 11 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.995 123.7 64.5 -89.1 2.1 17.1 4.3 10.3 93 101 A T T 34 S+ 0 0 30 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.645 98.4 52.6 -60.0 -24.3 15.5 7.4 11.9 94 102 A S T 3< S+ 0 0 17 -4,-2.1 2,-0.3 -5,-0.1 -1,-0.3 0.326 102.4 77.0 -93.8 9.7 18.4 8.5 14.1 95 103 A M < - 0 0 9 -3,-1.9 -6,-0.0 -5,-0.1 -5,-0.0 -0.880 67.7-143.6-121.0 150.3 20.8 8.4 11.1 96 104 A D >> - 0 0 38 -2,-0.3 4,-1.3 1,-0.1 3,-0.7 -0.665 45.6 -50.9-105.8 161.3 21.4 10.8 8.2 97 105 A P T 34 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.350 116.7 28.9 -63.3 152.8 22.3 9.8 4.6 98 106 A P T >4 S+ 0 0 111 0, 0.0 3,-0.9 0, 0.0 4,-0.4 -0.990 122.1 51.3 -87.1 -5.3 24.4 8.0 3.4 99 107 A E T X> S+ 0 0 116 -3,-0.7 3,-0.7 1,-0.2 4,-0.7 0.929 104.9 56.2 -54.0 -52.2 24.5 5.8 6.6 100 108 A Q H 3X S+ 0 0 16 -4,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.758 87.7 86.6 -51.8 -29.0 20.7 5.2 6.8 101 109 A R H <> S+ 0 0 171 -3,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.836 89.0 40.2 -40.3 -62.9 20.7 3.8 3.2 102 110 A Q H <> S+ 0 0 75 -3,-0.7 4,-1.3 -4,-0.4 -1,-0.2 0.892 118.9 48.3 -60.4 -40.2 21.5 0.2 3.8 103 111 A F H X S+ 0 0 3 -4,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.864 107.2 54.7 -69.8 -35.8 19.3 0.0 6.8 104 112 A R H X S+ 0 0 61 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.908 104.9 55.5 -64.3 -39.1 16.4 1.7 5.1 105 113 A A H X S+ 0 0 52 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.874 107.8 48.3 -61.0 -40.4 16.5 -1.0 2.4 106 114 A L H >X S+ 0 0 2 -4,-1.3 4,-1.0 2,-0.2 3,-0.8 0.960 110.3 50.0 -67.2 -49.3 16.2 -3.8 4.9 107 115 A A H >X S+ 0 0 3 -4,-2.2 4,-1.8 1,-0.3 3,-0.9 0.894 107.7 56.3 -56.9 -37.1 13.2 -2.2 6.7 108 116 A N H 3X S+ 0 0 66 -4,-2.4 4,-2.2 1,-0.3 -1,-0.3 0.855 98.2 60.7 -64.0 -33.7 11.6 -1.8 3.3 109 117 A Q H << S+ 0 0 120 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.790 111.8 40.8 -61.5 -29.4 11.9 -5.5 2.7 110 118 A V H << S+ 0 0 4 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.726 132.0 18.4 -93.8 -26.7 9.7 -6.0 5.8 111 119 A V H < S+ 0 0 13 -4,-1.8 243,-0.4 100,-0.1 242,-0.2 0.302 96.8 118.9-127.9 11.0 7.1 -3.3 5.5 112 120 A G S >X S- 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 3,-0.5 -0.005 81.9 -82.5 -71.3 179.3 7.3 -2.4 1.8 113 121 A 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19.5 144 152 A E H <45S+ 0 0 114 -3,-0.7 -2,-0.2 3,-0.2 -1,-0.2 0.768 123.6 52.8 -91.6 -22.4 -10.5 0.5 21.4 145 153 A D H <5S- 0 0 48 -4,-3.0 -3,-0.2 3,-0.1 -2,-0.2 0.621 135.1 -15.5 -86.6 -19.4 -13.0 -1.5 19.2 146 154 A Y T X5S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.3 -3,-0.2 0.422 121.8 66.9-148.5 -54.2 -11.4 -0.9 15.8 147 155 A A T 4 S+ 0 0 17 0, 0.0 4,-2.7 0, 0.0 5,-0.4 0.893 108.4 57.5 -58.4 -44.4 -7.1 -3.8 17.1 150 158 A F H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 5,-0.2 0.970 117.2 28.7 -54.5 -64.5 -7.3 -3.6 13.2 151 159 A P H > S+ 0 0 3 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.906 122.4 51.2 -67.1 -37.7 -3.8 -2.1 12.6 152 160 A I H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.913 108.9 49.1 -65.7 -43.6 -2.1 -3.6 15.6 153 161 A R H X S+ 0 0 86 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.914 110.4 52.3 -63.7 -38.5 -3.2 -7.2 15.0 154 162 A I H X S+ 0 0 3 -4,-1.6 4,-2.2 -5,-0.4 -1,-0.2 0.904 112.1 46.7 -62.0 -39.5 -2.1 -6.9 11.4 155 163 A F H X S+ 0 0 9 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.932 110.6 49.6 -68.4 -46.0 1.3 -5.7 12.7 156 164 A M H X>S+ 0 0 2 -4,-2.9 5,-2.3 1,-0.2 4,-1.1 0.874 112.0 51.1 -59.7 -34.4 1.6 -8.4 15.3 157 165 A L H <5S+ 0 0 77 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.2 0.927 111.3 47.1 -66.4 -46.5 0.8 -10.9 12.5 158 166 A L H <5S+ 0 0 13 -4,-2.2 53,-2.5 1,-0.2 -2,-0.2 0.856 119.1 40.4 -63.5 -36.0 3.4 -9.4 10.3 159 167 A A H <5S- 0 0 1 -4,-2.6 53,-0.5 51,-0.2 -1,-0.2 0.539 106.8-123.7 -92.2 -8.9 6.0 -9.4 13.1 160 168 A G T <5 + 0 0 35 -4,-1.1 -3,-0.2 -3,-0.3 -4,-0.1 0.891 61.8 140.5 67.9 40.3 5.0 -12.8 14.5 161 169 A L < - 0 0 9 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.923 57.6-100.6-115.3 140.2 4.3 -11.5 18.0 162 170 A P > - 0 0 56 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.336 18.6-132.4 -63.8 137.9 1.5 -12.7 20.2 163 171 A E G > S+ 0 0 92 1,-0.3 3,-1.3 2,-0.2 -7,-0.0 0.719 103.9 74.1 -58.9 -19.2 -1.6 -10.6 20.4 164 172 A E G 3 S+ 0 0 149 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.767 90.0 57.4 -66.7 -24.4 -1.4 -11.1 24.1 165 173 A D G <> S+ 0 0 47 -3,-2.4 4,-2.3 1,-0.2 -1,-0.3 0.476 80.3 93.8 -85.5 -3.0 1.6 -8.7 24.2 166 174 A I H <> S+ 0 0 26 -3,-1.3 4,-3.3 -4,-0.2 5,-0.3 0.947 80.8 49.9 -55.7 -55.8 -0.3 -5.8 22.7 167 175 A P H > S+ 0 0 93 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.902 114.3 45.6 -50.6 -48.9 -1.5 -4.0 25.9 168 176 A H H > S+ 0 0 94 -4,-0.3 4,-1.3 1,-0.2 -2,-0.2 0.921 117.4 43.8 -61.1 -46.0 2.1 -4.0 27.3 169 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.902 111.0 52.5 -69.4 -42.1 3.6 -2.9 24.1 170 178 A K H X S+ 0 0 15 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.891 105.6 55.5 -62.4 -40.7 1.1 -0.2 23.3 171 179 A Y H X S+ 0 0 104 -4,-1.9 4,-0.9 -5,-0.3 -1,-0.2 0.900 111.8 44.7 -58.6 -42.3 1.5 1.4 26.7 172 180 A L H X S+ 0 0 6 -4,-1.3 4,-0.7 2,-0.2 -2,-0.2 0.870 111.6 49.2 -71.4 -41.8 5.2 1.7 26.1 173 181 A T H >X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 3,-1.1 0.912 109.9 53.6 -64.4 -41.6 5.1 3.1 22.5 174 182 A D H 3X S+ 0 0 36 -4,-2.4 4,-2.7 1,-0.3 -1,-0.2 0.797 100.4 61.4 -63.3 -27.3 2.5 5.7 23.7 175 183 A Q H 3< S+ 0 0 11 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.748 104.9 49.1 -70.2 -23.9 5.0 6.8 26.4 176 184 A M H << 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-1,-0.2 0.885 108.3 49.0 -52.1 -45.7 14.9 6.3 27.7 187 195 A E H > S+ 0 0 112 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.899 112.4 46.2 -65.4 -41.0 13.0 4.1 30.2 188 196 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.908 115.9 48.8 -66.9 -38.1 10.1 3.4 27.8 189 197 A K H X S+ 0 0 11 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.921 110.9 48.3 -66.6 -46.1 12.7 2.7 25.1 190 198 A E H X S+ 0 0 87 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.942 110.7 50.8 -61.8 -47.3 14.7 0.4 27.3 191 199 A A H X S+ 0 0 29 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.876 110.2 50.5 -57.8 -38.4 11.7 -1.5 28.4 192 200 A L H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.879 111.1 49.2 -66.7 -37.7 10.7 -1.9 24.8 193 201 A Y H X S+ 0 0 3 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.890 103.7 58.8 -69.0 -38.3 14.2 -3.2 24.1 194 202 A D H < S+ 0 0 113 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.863 107.0 49.8 -58.0 -36.0 14.0 -5.7 27.0 195 203 A Y H X S+ 0 0 30 -4,-1.4 4,-0.7 -5,-0.2 -1,-0.2 0.940 115.7 41.6 -67.0 -47.5 11.0 -7.2 25.2 196 204 A L H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 5,-0.3 0.842 98.0 73.4 -71.2 -39.0 12.7 -7.4 21.9 197 205 A I H X S+ 0 0 78 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.889 101.1 39.8 -46.5 -57.4 16.2 -8.7 22.9 198 206 A P H > S+ 0 0 60 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.856 116.2 53.4 -64.2 -33.4 15.4 -12.3 23.8 199 207 A I H X S+ 0 0 30 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.916 111.7 44.1 -66.1 -43.3 13.0 -12.5 20.8 200 208 A I H X S+ 0 0 4 -4,-3.0 4,-1.1 2,-0.2 5,-0.2 0.935 113.0 51.8 -67.0 -46.2 15.7 -11.3 18.4 201 209 A E H >X S+ 0 0 79 -4,-2.8 4,-1.8 -5,-0.3 3,-1.5 0.970 113.2 45.6 -50.4 -57.9 18.3 -13.6 20.0 202 210 A Q H 3X S+ 0 0 100 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.842 112.7 49.3 -55.8 -41.5 15.8 -16.5 19.6 203 211 A R H 3< S+ 0 0 49 -4,-2.5 5,-0.3 1,-0.2 -1,-0.3 0.554 106.9 55.2 -80.3 -8.5 15.0 -15.6 16.0 204 212 A R H << S+ 0 0 74 -3,-1.5 -1,-0.2 -4,-1.1 -2,-0.2 0.788 111.8 45.3 -85.4 -36.0 18.7 -15.3 15.1 205 213 A Q H < S+ 0 0 111 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.983 131.4 20.2 -66.7 -60.3 19.1 -18.9 16.3 206 214 A K S < S- 0 0 181 -4,-2.6 -1,-0.3 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