==== 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 13-NOV-00 1GEK . COMPND 2 MOLECULE: CYTOCHROME P450CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR D.-S.LEE,S.-Y.PARK,K.YAMANE,Y.SHIRO . 406 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 68.5 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 . 17 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 37.2 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 3 0 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 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 0 115 0, 0.0 2,-0.9 0, 0.0 49,-0.0 0.000 360.0 360.0 360.0 161.4 3.9 26.2 31.7 2 10 A N - 0 0 158 47,-0.0 50,-0.4 0, 0.0 49,-0.3 -0.800 360.0-161.6 -92.7 104.3 7.6 26.2 32.5 3 11 A L - 0 0 68 -2,-0.9 47,-0.2 47,-0.1 3,-0.0 -0.575 15.4-124.7 -85.0 148.4 9.5 28.1 29.8 4 12 A A - 0 0 23 45,-2.2 2,-0.1 -2,-0.2 -1,-0.0 -0.704 41.9 -82.8 -92.8 148.2 13.2 27.7 29.4 5 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.250 50.2-108.1 -51.3 120.6 15.5 30.8 29.5 6 14 A L - 0 0 47 1,-0.1 6,-0.1 2,-0.1 43,-0.1 -0.296 37.9-120.4 -54.5 114.9 15.6 32.5 26.1 7 15 A P > - 0 0 28 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.225 21.1-113.1 -57.2 148.9 19.0 31.8 24.6 8 16 A P T 3 S+ 0 0 139 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.847 113.4 53.5 -51.7 -40.2 21.2 34.9 23.9 9 17 A H T 3 S+ 0 0 47 2,-0.1 294,-0.2 1,-0.0 -3,-0.0 0.427 87.7 95.1 -80.3 2.1 21.1 34.4 20.1 10 18 A V S < S- 0 0 6 -3,-1.9 2,-0.1 292,-0.1 5,-0.1 -0.848 74.2-130.2 -99.7 120.0 17.2 34.2 19.8 11 19 A P > - 0 0 44 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.382 13.1-131.6 -65.1 138.9 15.4 37.5 19.0 12 20 A E G > S+ 0 0 160 1,-0.3 3,-0.9 2,-0.2 35,-0.1 0.785 105.1 60.1 -61.4 -28.6 12.5 38.2 21.3 13 21 A H G 3 S+ 0 0 144 1,-0.2 -1,-0.3 33,-0.0 -3,-0.0 0.594 99.1 57.4 -77.9 -8.3 10.2 38.9 18.4 14 22 A L G < S+ 0 0 15 -3,-1.6 33,-2.3 32,-0.1 -1,-0.2 0.497 83.7 112.2 -95.9 -6.0 10.7 35.4 17.1 15 23 A V B < +a 47 0A 35 -3,-0.9 2,-0.2 -4,-0.4 33,-0.2 -0.453 30.2 158.7 -73.5 136.9 9.4 33.9 20.4 16 24 A F - 0 0 53 31,-2.6 2,-2.1 -2,-0.2 30,-0.1 -0.733 33.9-142.0-157.7 100.6 6.1 32.0 20.4 17 25 A D + 0 0 54 -2,-0.2 2,-0.4 31,-0.2 31,-0.1 -0.430 33.9 165.2 -75.4 76.8 5.7 29.6 23.3 18 26 A F - 0 0 7 -2,-2.1 2,-0.7 32,-0.1 32,-0.2 -0.760 26.2-150.6 -91.8 132.8 3.9 26.7 21.7 19 27 A D > - 0 0 31 -2,-0.4 3,-1.2 3,-0.2 -2,-0.0 -0.903 4.5-164.1-109.5 105.9 3.9 23.4 23.6 20 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.698 90.3 50.1 -62.4 -19.5 3.8 20.5 21.3 21 29 A Y T 3 S+ 0 0 47 1,-0.2 364,-0.5 363,-0.0 -1,-0.3 0.597 128.8 18.0 -94.8 -10.3 2.7 18.1 24.0 22 30 A N S < S- 0 0 102 -3,-1.2 -1,-0.2 362,-0.1 -3,-0.2 -0.391 79.1-163.6-158.4 71.1 -0.1 20.4 25.3 23 31 A P > - 0 0 2 0, 0.0 3,-1.7 0, 0.0 11,-0.1 -0.304 26.7-120.3 -62.1 139.5 -1.2 23.0 22.7 24 32 A S T 3 S+ 0 0 111 1,-0.3 3,-0.3 9,-0.1 10,-0.1 0.798 108.7 38.8 -47.7 -44.0 -3.3 26.0 24.1 25 33 A N T > S+ 0 0 88 8,-0.2 3,-2.3 1,-0.2 -1,-0.3 -0.070 70.9 133.4-106.8 39.1 -6.4 25.4 21.9 26 34 A L G X + 0 0 28 -3,-1.7 3,-1.8 1,-0.3 357,-0.4 0.750 63.2 70.4 -56.1 -28.1 -6.4 21.6 22.0 27 35 A S G 3 S+ 0 0 126 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.656 93.5 56.2 -67.1 -15.2 -10.2 21.6 22.8 28 36 A A G < S- 0 0 61 -3,-2.3 -1,-0.3 1,-0.4 -2,-0.2 0.471 131.9 -77.7 -91.1 -5.8 -10.8 22.8 19.2 29 37 A G <> - 0 0 7 -3,-1.8 4,-2.3 -4,-0.3 -1,-0.4 -0.195 39.4 -95.9 119.0 148.6 -8.9 19.8 17.9 30 38 A V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.897 122.6 47.2 -65.7 -41.7 -5.2 18.9 17.7 31 39 A Q H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 113.9 49.1 -65.0 -45.5 -4.8 20.0 14.0 32 40 A E H > S+ 0 0 62 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.919 109.6 52.8 -56.2 -45.3 -6.7 23.2 14.7 33 41 A A H >< S+ 0 0 1 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.864 112.0 44.4 -60.2 -39.1 -4.4 23.8 17.8 34 42 A W H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.808 102.8 66.8 -76.1 -29.4 -1.3 23.4 15.7 35 43 A A H >< S+ 0 0 21 -4,-2.2 3,-2.1 1,-0.3 -1,-0.2 0.671 81.3 76.5 -66.6 -15.0 -2.7 25.6 13.0 36 44 A V G X< S+ 0 0 18 -4,-0.7 3,-1.6 -3,-0.6 -1,-0.3 0.773 82.6 68.8 -65.4 -21.5 -2.6 28.6 15.3 37 45 A L G < S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.590 96.5 55.1 -69.9 -8.7 1.2 28.5 14.5 38 46 A Q G < S+ 0 0 11 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.222 80.0 119.7-109.8 13.6 0.1 29.6 11.0 39 47 A E S X S- 0 0 100 -3,-1.6 3,-1.6 1,-0.1 -3,-0.0 -0.312 79.4-104.5 -72.9 163.5 -1.8 32.7 12.0 40 48 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.788 117.4 59.9 -60.7 -30.3 -0.7 36.1 10.6 41 49 A N T 3 S+ 0 0 108 2,-0.0 -1,-0.3 1,-0.0 -4,-0.0 0.528 90.9 85.9 -77.8 -3.9 0.8 37.2 13.9 42 50 A V S < S- 0 0 6 -3,-1.6 -28,-0.1 -6,-0.1 -26,-0.1 -0.856 78.1-129.3-105.3 123.4 3.2 34.3 13.9 43 51 A P - 0 0 43 0, 0.0 3,-0.2 0, 0.0 15,-0.1 -0.091 27.3-110.5 -56.7 166.5 6.6 34.5 12.1 44 52 A D S S+ 0 0 63 1,-0.3 14,-2.9 256,-0.1 15,-0.6 0.782 109.3 30.9 -70.9 -28.9 7.4 31.6 9.6 45 53 A L E S+ B 0 57A 6 12,-0.2 -1,-0.3 13,-0.1 12,-0.2 -0.928 82.0 172.0-134.9 108.2 10.2 30.4 11.9 46 54 A V E - B 0 56A 0 10,-2.0 10,-2.3 -2,-0.4 2,-0.4 -0.600 28.2-127.9-113.7 174.4 9.7 30.8 15.6 47 55 A W E -aB 15 55A 12 -33,-2.3 -31,-2.6 8,-0.2 2,-0.4 -0.989 17.2-159.8-124.1 127.0 11.3 29.8 18.9 48 56 A T E - B 0 54A 0 6,-3.0 6,-2.1 -2,-0.4 -31,-0.2 -0.868 11.5-157.4-106.7 141.5 9.4 28.2 21.7 49 57 A R > + 0 0 75 -2,-0.4 -45,-2.2 4,-0.2 3,-0.6 0.580 65.5 102.7 -90.7 -11.3 10.8 28.3 25.2 50 58 A C G > S+ 0 0 6 -32,-0.2 3,-3.0 1,-0.2 -47,-0.1 -0.169 78.0 19.9 -67.9 165.0 8.6 25.3 26.1 51 59 A N G 3 S- 0 0 45 -49,-0.3 31,-0.3 1,-0.3 -1,-0.2 0.828 143.4 -46.2 42.5 43.9 10.0 21.7 26.4 52 60 A G G < S- 0 0 63 -3,-0.6 -1,-0.3 -50,-0.4 -2,-0.2 0.223 102.9 -74.4 90.3 -15.6 13.5 23.0 26.8 53 61 A G < + 0 0 7 -3,-3.0 256,-0.3 1,-0.1 2,-0.3 0.546 64.2 157.7 93.6 120.1 13.4 25.5 24.0 54 62 A H E -B 48 0A 0 -6,-2.1 -6,-3.0 254,-0.1 256,-0.2 -0.980 38.4 -97.3-164.9 163.3 13.6 24.8 20.2 55 63 A W E -Bc 47 310A 0 254,-2.7 256,-3.1 -2,-0.3 2,-0.4 -0.458 27.5-157.8 -84.8 161.4 12.7 26.3 16.8 56 64 A I E -Bc 46 311A 0 -10,-2.3 -10,-2.0 254,-0.2 2,-0.6 -0.942 9.1-148.2-143.0 118.5 9.6 25.5 14.9 57 65 A A E -B 45 0A 0 254,-2.2 -12,-0.2 -2,-0.4 259,-0.1 -0.786 15.8-174.0 -83.9 123.8 9.3 25.9 11.1 58 66 A T + 0 0 0 -14,-2.9 2,-0.4 -2,-0.6 -13,-0.1 0.515 54.1 75.1 -99.7 -6.6 5.6 26.8 10.6 59 67 A R S >> S- 0 0 11 -15,-0.6 4,-2.3 1,-0.1 3,-0.7 -0.880 75.8-128.9-113.9 142.6 5.4 26.8 6.8 60 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.4 257,-0.3 5,-0.2 0.835 108.1 54.8 -52.3 -39.8 5.3 23.9 4.3 61 69 A Q H 3> S+ 0 0 126 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.866 111.2 43.8 -65.4 -36.7 8.1 25.4 2.2 62 70 A L H <> S+ 0 0 2 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.869 113.3 50.9 -76.2 -37.0 10.5 25.7 5.2 63 71 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.926 113.3 45.2 -65.2 -44.3 9.6 22.2 6.5 64 72 A R H X S+ 0 0 57 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.911 114.5 50.6 -64.3 -43.0 10.3 20.6 3.1 65 73 A E H >X S+ 0 0 70 -4,-1.7 4,-1.2 -5,-0.2 3,-0.6 0.940 111.2 44.9 -59.2 -54.2 13.4 22.6 2.7 66 74 A A H 3< S+ 0 0 0 -4,-2.8 7,-0.3 1,-0.2 3,-0.3 0.859 111.2 55.0 -60.5 -37.7 14.9 21.7 6.1 67 75 A Y H 3< S+ 0 0 8 -4,-2.1 279,-0.5 -5,-0.2 -1,-0.2 0.762 108.9 48.4 -68.4 -24.6 13.9 18.1 5.5 68 76 A E H << S+ 0 0 120 -4,-1.2 2,-0.9 -3,-0.6 -1,-0.2 0.674 101.5 67.2 -87.6 -20.3 15.9 18.1 2.2 69 77 A D >X + 0 0 39 -4,-1.2 4,-2.5 -3,-0.3 3,-1.2 -0.612 51.6 156.5-103.2 74.0 19.0 19.7 3.8 70 78 A Y T 34 + 0 0 82 -2,-0.9 -1,-0.2 1,-0.3 5,-0.1 0.678 66.1 75.8 -69.8 -16.0 20.2 16.9 6.1 71 79 A R T 34 S+ 0 0 178 -3,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.818 113.8 19.8 -64.9 -30.3 23.6 18.5 5.8 72 80 A H T <4 S+ 0 0 50 -3,-1.2 222,-2.5 1,-0.2 2,-0.8 0.743 127.6 52.3-105.9 -35.4 22.5 21.3 8.2 73 81 A F E < S-D 293 0A 0 -4,-2.5 220,-0.2 -7,-0.3 -1,-0.2 -0.805 80.2-162.0-107.5 91.0 19.5 19.5 9.8 74 82 A S E -D 292 0A 0 218,-2.7 218,-1.7 -2,-0.8 3,-0.5 -0.440 23.1-145.6 -76.5 146.1 20.7 16.2 11.1 75 83 A S S S+ 0 0 1 1,-0.2 -1,-0.1 216,-0.2 20,-0.1 0.445 79.6 100.6 -84.9 -5.1 18.5 13.3 12.0 76 84 A E S S+ 0 0 133 1,-0.3 -1,-0.2 216,-0.2 12,-0.1 0.886 95.6 24.5 -52.3 -35.0 20.9 12.4 14.7 77 85 A C S S+ 0 0 7 -3,-0.5 -1,-0.3 1,-0.1 9,-0.2 -0.758 76.1 157.7-132.5 85.0 18.6 14.1 17.3 78 86 A P + 0 0 2 0, 0.0 212,-2.4 0, 0.0 2,-0.3 0.357 47.2 76.1 -92.4 2.1 15.1 14.0 15.8 79 87 A F S S- 0 0 19 210,-0.2 6,-0.7 3,-0.2 7,-0.1 -0.894 73.6-110.5-122.6 152.1 12.9 14.3 18.9 80 88 A I S S+ 0 0 3 -2,-0.3 2,-0.2 4,-0.2 307,-0.1 -0.955 93.7 49.0-116.6 134.6 11.8 17.1 21.3 81 89 A P S >> S- 0 0 31 0, 0.0 4,-1.7 0, 0.0 3,-1.1 0.556 90.7-123.7 -71.9 171.8 12.7 17.3 24.1 82 90 A R H 3> S+ 0 0 77 -31,-0.3 4,-2.4 1,-0.3 5,-0.2 0.833 110.2 59.0 -51.5 -41.3 16.5 16.9 23.7 83 91 A E H 3> S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.870 107.8 47.9 -57.3 -37.6 16.6 13.9 26.1 84 92 A A H <> S+ 0 0 8 -3,-1.1 4,-0.6 2,-0.2 -1,-0.2 0.872 110.4 50.1 -70.7 -40.8 14.1 12.1 23.9 85 93 A G H < S+ 0 0 0 -4,-1.7 -2,-0.2 -6,-0.7 -1,-0.2 0.850 114.7 45.7 -67.4 -33.3 16.1 12.9 20.7 86 94 A E H < S+ 0 0 115 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.960 111.4 47.1 -73.8 -55.5 19.3 11.6 22.3 87 95 A A H < S+ 0 0 17 -4,-2.4 2,-0.5 -5,-0.2 -1,-0.2 0.667 96.7 97.9 -61.2 -13.4 17.9 8.4 23.9 88 96 A Y < + 0 0 11 -4,-0.6 -9,-0.1 -5,-0.2 98,-0.0 -0.667 36.6 150.4 -79.3 120.9 16.4 8.0 20.4 89 97 A D + 0 0 31 -2,-0.5 -1,-0.1 143,-0.1 5,-0.1 0.204 18.0 151.2-136.2 14.8 18.6 5.7 18.3 90 98 A F > - 0 0 6 3,-0.1 4,-2.4 1,-0.1 143,-0.2 -0.027 44.7 -98.7 -48.8 150.3 16.0 4.1 16.0 91 99 A I T 4 S+ 0 0 0 141,-1.1 145,-0.2 1,-0.2 -1,-0.1 -0.950 95.5 8.5-120.2 142.0 17.2 3.0 12.6 92 100 A P T >4 S+ 0 0 11 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 -0.982 125.4 59.3 -88.1 5.3 17.1 4.2 9.9 93 101 A T T 34 S+ 0 0 29 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.793 98.0 56.0 -65.7 -33.1 15.7 7.5 11.3 94 102 A S T 3< S+ 0 0 19 -4,-2.4 2,-0.4 -5,-0.1 -1,-0.3 0.464 100.9 80.9 -79.5 2.7 18.6 8.4 13.7 95 103 A M < - 0 0 8 -3,-1.3 -6,-0.0 -5,-0.1 -5,-0.0 -0.867 68.5-146.3-113.5 144.8 20.9 8.2 10.6 96 104 A D >> - 0 0 35 -2,-0.4 3,-0.9 1,-0.1 4,-0.9 -0.715 46.3 -52.6-101.4 153.1 21.6 10.8 7.9 97 105 A P T 34 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 249,-0.0 -0.236 116.3 29.3 -56.8 155.5 22.4 9.8 4.3 98 106 A P T >4 S+ 0 0 110 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.989 122.2 51.2 -87.8 -4.6 24.3 8.0 3.0 99 107 A E T X> S+ 0 0 115 -3,-0.9 3,-1.1 1,-0.2 4,-0.7 0.948 104.7 52.9 -54.2 -60.4 24.3 5.7 6.0 100 108 A Q H 3X S+ 0 0 9 -4,-0.9 4,-2.8 1,-0.2 -1,-0.2 0.690 90.9 86.8 -52.8 -16.3 20.6 5.1 6.6 101 109 A R H <> S+ 0 0 165 -3,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.907 89.2 41.7 -51.9 -53.0 20.4 4.1 2.9 102 110 A Q H <> S+ 0 0 69 -3,-1.1 4,-1.6 -4,-0.5 3,-0.3 0.940 116.8 48.3 -63.1 -47.0 21.3 0.4 3.4 103 111 A F H X S+ 0 0 2 -4,-0.7 4,-2.2 1,-0.2 5,-0.2 0.850 107.5 55.8 -62.2 -35.5 19.1 0.1 6.5 104 112 A R H X S+ 0 0 70 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.859 104.3 55.5 -63.9 -35.3 16.3 1.8 4.7 105 113 A A H X S+ 0 0 48 -4,-1.5 4,-0.9 -3,-0.3 -2,-0.2 0.902 109.5 45.4 -62.7 -44.4 16.6 -0.9 2.0 106 114 A L H >X S+ 0 0 2 -4,-1.6 4,-0.9 1,-0.2 3,-0.5 0.884 110.3 51.6 -69.2 -41.9 16.2 -3.8 4.6 107 115 A A H 3X S+ 0 0 3 -4,-2.2 4,-1.3 1,-0.2 3,-0.5 0.838 105.2 59.8 -65.2 -29.7 13.3 -2.2 6.4 108 116 A N H 3X S+ 0 0 72 -4,-1.5 4,-2.6 1,-0.2 7,-0.3 0.830 96.3 60.2 -66.8 -31.7 11.6 -1.9 3.0 109 117 A Q H << S+ 0 0 122 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.830 110.7 40.9 -64.7 -31.9 11.8 -5.7 2.5 110 118 A V H < S+ 0 0 4 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.663 133.8 17.4 -93.1 -18.2 9.7 -6.2 5.6 111 119 A V H < S+ 0 0 13 -4,-1.3 243,-0.3 100,-0.1 -2,-0.2 0.410 96.1 117.8-131.4 -1.4 7.1 -3.4 5.2 112 120 A G S >X S- 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 3,-0.5 0.131 82.8 -82.6 -62.1 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0.917 121.6 23.1 -64.8 -41.6 -10.6 3.6 19.4 144 152 A E H <45S+ 0 0 113 -3,-1.5 -2,-0.2 3,-0.1 -1,-0.2 0.798 124.3 53.0 -93.5 -28.8 -10.5 0.3 21.2 145 153 A D H <5S- 0 0 45 -4,-2.9 -3,-0.2 3,-0.1 -2,-0.2 0.657 133.7 -13.4 -79.8 -20.7 -13.0 -1.6 19.1 146 154 A Y T X5S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.3 -3,-0.2 0.454 121.9 63.0-145.2 -59.9 -11.4 -1.0 15.7 147 155 A A T 4 S+ 0 0 18 0, 0.0 4,-2.4 0, 0.0 5,-0.4 0.904 110.0 59.1 -62.7 -44.3 -7.1 -4.0 16.9 150 158 A F H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 5,-0.2 0.974 117.3 26.7 -53.0 -66.4 -7.3 -3.7 13.2 151 159 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.896 122.2 52.8 -67.8 -36.7 -3.9 -2.2 12.4 152 160 A I H X S+ 0 0 1 -4,-1.8 4,-3.2 -5,-0.2 5,-0.2 0.932 109.8 46.3 -64.7 -45.5 -2.1 -3.6 15.5 153 161 A R H X S+ 0 0 86 -4,-2.4 4,-3.1 -5,-0.3 -1,-0.2 0.894 111.0 53.8 -65.1 -36.5 -3.1 -7.3 14.9 154 162 A I H X S+ 0 0 3 -4,-1.6 4,-2.3 -5,-0.4 -1,-0.2 0.924 113.8 43.3 -62.2 -40.7 -2.1 -6.9 11.3 155 163 A F H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.882 112.5 50.2 -71.7 -39.0 1.3 -5.7 12.5 156 164 A M H X>S+ 0 0 1 -4,-3.2 5,-2.0 2,-0.2 4,-1.8 0.917 111.9 50.6 -64.3 -40.4 1.6 -8.3 15.2 157 165 A L H <5S+ 0 0 77 -4,-3.1 3,-0.3 1,-0.2 -2,-0.2 0.937 111.8 46.5 -60.2 -48.0 0.7 -10.9 12.5 158 166 A L H <5S+ 0 0 21 -4,-2.3 53,-2.1 1,-0.2 -1,-0.2 0.820 117.7 43.3 -65.0 -30.9 3.4 -9.4 10.2 159 167 A A H <5S- 0 0 1 -4,-2.2 53,-0.5 51,-0.2 -1,-0.2 0.622 106.8-122.9 -91.0 -15.4 6.0 -9.4 13.0 160 168 A G T <5 + 0 0 35 -4,-1.8 -3,-0.2 -3,-0.3 -4,-0.1 0.905 62.9 139.6 73.6 41.5 5.2 -12.8 14.4 161 169 A L < - 0 0 10 -5,-2.0 -1,-0.3 -6,-0.1 -2,-0.1 -0.938 57.6-101.1-119.3 141.1 4.4 -11.5 17.9 162 170 A P > - 0 0 62 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.338 19.0-131.8 -64.1 135.3 1.5 -12.7 20.1 163 171 A E G > S+ 0 0 95 1,-0.3 3,-0.6 2,-0.2 -10,-0.0 0.613 104.6 72.6 -60.9 -9.7 -1.6 -10.6 20.3 164 172 A E G 3 S+ 0 0 154 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.761 89.7 57.2 -76.8 -25.3 -1.3 -11.1 24.1 165 173 A D G <> S+ 0 0 48 -3,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.480 81.4 94.9 -82.9 -3.6 1.7 -8.7 24.2 166 174 A I H <> S+ 0 0 25 -3,-0.6 4,-3.2 -4,-0.3 5,-0.3 0.934 79.2 50.5 -57.3 -52.8 -0.3 -5.9 22.6 167 175 A P H > S+ 0 0 97 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.937 115.2 43.6 -51.9 -48.7 -1.3 -4.1 25.8 168 176 A H H > S+ 0 0 99 -4,-0.4 4,-1.3 1,-0.2 -2,-0.2 0.879 117.4 45.4 -63.9 -40.2 2.2 -4.0 27.2 169 177 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 5,-0.2 0.904 110.4 52.5 -72.2 -40.7 3.7 -3.0 23.8 170 178 A K H X S+ 0 0 14 -4,-3.2 4,-2.2 1,-0.2 5,-0.2 0.862 106.7 53.6 -63.5 -38.2 1.1 -0.3 23.1 171 179 A Y H X S+ 0 0 93 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.2 0.910 109.1 49.9 -63.7 -41.0 1.7 1.4 26.4 172 180 A L H < S+ 0 0 3 -4,-1.3 4,-0.5 2,-0.2 -2,-0.2 0.825 112.3 44.3 -68.2 -36.1 5.4 1.6 25.8 173 181 A T H >X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 3,-1.1 0.886 110.9 54.3 -75.7 -39.6 5.1 3.2 22.3 174 182 A D H 3X S+ 0 0 35 -4,-2.2 4,-2.6 1,-0.3 -2,-0.2 0.807 103.9 58.3 -62.0 -27.5 2.5 5.6 23.5 175 183 A Q H 3< S+ 0 0 16 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.746 106.4 48.2 -72.7 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H > S+ 0 0 35 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.815 109.2 47.1 -57.6 -33.1 15.3 6.2 27.7 187 195 A E H > S+ 0 0 104 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.871 112.9 46.0 -77.6 -39.8 13.3 4.0 30.1 188 196 A A H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.884 115.0 51.6 -66.2 -37.5 10.4 3.5 27.8 189 197 A K H >X S+ 0 0 27 -4,-3.3 4,-2.6 2,-0.2 3,-0.6 0.981 110.6 45.8 -59.8 -60.0 13.1 2.9 25.2 190 198 A E H 3X S+ 0 0 83 -4,-3.0 4,-3.0 1,-0.3 5,-0.2 0.926 110.6 52.8 -50.0 -53.8 14.9 0.3 27.4 191 199 A A H 3X S+ 0 0 27 -4,-2.8 4,-1.2 1,-0.2 -1,-0.3 0.841 111.8 47.8 -53.1 -35.1 11.6 -1.4 28.3 192 200 A L H S+ 0 0 60 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.938 115.4 49.7 -61.6 -43.5 15.5 -12.0 23.6 199 207 A I H X S+ 0 0 25 -4,-0.7 4,-2.8 1,-0.2 -2,-0.2 0.896 109.6 51.4 -60.9 -42.0 13.2 -12.3 20.5 200 208 A I H X S+ 0 0 3 -4,-3.2 4,-0.8 2,-0.2 -1,-0.2 0.945 111.6 45.0 -63.1 -48.5 15.9 -11.1 18.2 201 209 A E H >X S+ 0 0 72 -4,-2.2 4,-2.0 -5,-0.2 3,-0.8 0.928 113.2 54.0 -59.7 -43.2 18.5 -13.6 19.5 202 210 A Q H 3X S+ 0 0 117 -4,-2.6 4,-2.5 1,-0.3 3,-0.3 0.938 112.2 40.8 -53.7 -55.2 15.8 -16.3 19.3 203 211 A R H 3< S+ 0 0 47 -4,-2.8 -1,-0.3 1,-0.2 5,-0.2 0.506 110.4 61.0 -75.9 -4.1 14.9 -15.6 15.7 204 212 A R H << S+ 0 0 71 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.809 111.3 38.0 -87.4 -37.1 18.6 -15.2 14.9 205 213 A Q H < S+ 0 0 114 -4,-2.0 -2,-0.2 -3,-0.3 -3,-0.1 0.980 134.1 25.0 -72.7 -62.1 19.3 -18.8 16.0 206 214 A K S < S- 0 0 182 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.650 89.1-156.8-105.9 74.5 16.1 -20.2 14.5 207 215 A P - 0 0 75 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.121 12.6-176.6 -51.9 140.6 15.2 -17.8 11.7 208 216 A G - 0 0 36 -5,-0.2 -48,-0.0 2,-0.2 -5,-0.0 -0.409 39.8-100.9-119.5-161.2 11.5 -17.6 10.6 209 217 A T S S+ 0 0 137 -2,-0.2 -49,-0.1 4,-0.1 2,-0.0 0.321 81.6 113.1-109.3 4.6 9.8 -15.7 7.8 210 218 A D S > S- 0 0 28 -51,-0.1 4,-2.4 1,-0.1 -51,-0.2 -0.237 83.5-103.6 -71.3 166.0 8.4 -13.0 10.1 211 219 A A H > S+ 0 0 8 -53,-2.1 4,-2.9 1,-0.2 5,-0.2 0.893 121.1 52.2 -58.3 -43.5 9.6 -9.4 9.8 212 220 A 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230 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.424 124.7 83.2 75.9 -3.3 27.7 -6.1 2.5 223 231 A R E < S-H 220 0C 74 -3,-1.1 -3,-2.7 1,-0.1 -1,-0.3 -0.706 90.6 -72.3-124.4 174.9 27.9 -7.8 5.9 224 232 A P E -H 219 0C 79 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 -0.355 48.6-109.7 -69.8 149.6 25.4 -9.1 8.5 225 233 A I - 0 0 1 -7,-2.0 2,-0.1 -10,-0.2 -4,-0.0 -0.540 34.7-120.8 -76.9 141.7 23.3 -6.8 10.6 226 234 A T > - 0 0 56 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.382 18.9-114.6 -79.5 163.9 24.2 -6.6 14.3 227 235 A S H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.904 118.2 53.0 -62.5 -41.5 21.8 -7.5 17.1 228 236 A D H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.934 110.4 45.7 -57.8 -52.0 21.9 -3.9 18.2 229 237 A E H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 112.0 52.4 -61.1 -38.7 21.0 -2.6 14.8 230 238 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.889 111.4 47.1 -63.9 -40.8 18.3 -5.2 14.4 231 239 A K H X S+ 0 0 27 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.888 111.6 49.6 -68.6 -42.7 16.8 -4.1 17.7 232 240 A R 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