==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-OCT-09 2WV2 . COMPND 2 MOLECULE: LANOSTEROL 14-ALPHA-DEMETHYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR C.-K.CHEN,S.S.F.LEUNG,C.GUILBERT,M.JACOBSON,J.H.MCKERROW, L. . 443 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.2 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 . 1 0.2 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 . 1 0.2 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 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 39.1 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 3 2 1 1 0 0 0 1 3 1 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 0 3 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 30 A T 0 0 128 0, 0.0 339,-3.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.8 -74.2 25.5 -7.9 2 31 A D - 0 0 100 337,-0.2 339,-0.1 339,-0.1 3,-0.1 -0.878 360.0-110.1 -87.2 129.4 -73.8 21.8 -8.6 3 32 A P - 0 0 5 0, 0.0 36,-0.2 0, 0.0 336,-0.1 -0.139 39.8 -85.0 -65.9 153.2 -70.6 21.6 -10.7 4 33 A P - 0 0 26 0, 0.0 36,-2.8 0, 0.0 2,-0.7 -0.233 40.4-134.1 -58.2 141.4 -70.8 20.6 -14.4 5 34 A V B -a 40 0A 76 34,-0.2 36,-0.2 -3,-0.1 3,-0.1 -0.865 9.7-135.6-102.5 111.1 -70.8 16.8 -15.1 6 35 A Y - 0 0 52 34,-2.1 36,-0.2 -2,-0.7 24,-0.0 -0.379 40.3-104.5 -54.3 131.7 -68.6 15.6 -17.9 7 36 A P - 0 0 89 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.306 25.2-124.8 -74.2 151.8 -70.7 13.2 -19.8 8 37 A V - 0 0 52 1,-0.2 7,-0.1 -3,-0.1 35,-0.0 -0.804 22.1-172.6-104.0 99.1 -70.1 9.5 -19.4 9 38 A T S S+ 0 0 112 -2,-0.9 -1,-0.2 5,-0.3 6,-0.1 0.887 77.5 24.7 -56.0 -51.2 -69.5 7.9 -22.8 10 39 A V > - 0 0 34 4,-0.4 4,-2.1 1,-0.1 -1,-0.2 -0.989 66.7-147.7-120.2 129.6 -69.5 4.2 -21.6 11 40 A P T 4 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.831 102.7 50.3 -59.1 -35.7 -71.3 3.2 -18.3 12 41 A I T 4 S+ 0 0 79 1,-0.1 3,-0.2 2,-0.1 32,-0.1 0.984 115.1 34.1 -56.9 -89.1 -68.5 0.6 -17.9 13 42 A L T >4 S- 0 0 21 1,-0.2 3,-2.2 2,-0.1 2,-1.9 0.740 75.8-171.8 -36.3 -42.4 -65.3 2.7 -18.4 14 43 A G T 3< S- 0 0 0 -4,-2.1 -4,-0.4 1,-0.3 -5,-0.3 -0.633 74.7 -50.2 70.6 -86.3 -66.6 5.8 -16.7 15 44 A H T 3> S+ 0 0 0 -2,-1.9 4,-2.4 -3,-0.2 5,-0.3 0.239 107.0 119.8-155.1 1.9 -63.5 7.7 -17.8 16 45 A I H <> S+ 0 0 89 -3,-2.2 4,-1.7 1,-0.2 -2,-0.1 0.777 79.2 44.8 -50.4 -41.2 -60.8 5.2 -16.5 17 46 A I H > S+ 0 0 115 2,-0.2 4,-1.3 3,-0.1 -1,-0.2 0.992 113.9 43.9 -67.7 -65.1 -59.3 4.7 -20.1 18 47 A Q H >> S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 3,-1.2 0.925 117.6 47.5 -47.9 -51.1 -59.2 8.3 -21.4 19 48 A F H 3< S+ 0 0 41 -4,-2.4 3,-0.2 1,-0.3 -1,-0.2 0.919 109.0 52.7 -56.2 -55.6 -57.8 9.6 -18.1 20 49 A G H 3< S+ 0 0 28 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.664 108.7 53.1 -47.4 -24.7 -55.1 6.9 -17.8 21 50 A K H << S- 0 0 72 -4,-1.3 -2,-0.2 -3,-1.2 -1,-0.2 0.839 133.1 -9.3 -89.6 -41.7 -53.9 7.7 -21.5 22 51 A S X - 0 0 61 -4,-1.5 4,-2.3 -3,-0.2 -1,-0.2 -0.486 63.9-174.4-155.8 92.5 -53.2 11.5 -21.2 23 52 A P H > S+ 0 0 2 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.765 80.9 48.8 -62.9 -34.6 -54.5 13.2 -18.0 24 53 A L H > S+ 0 0 24 2,-0.2 4,-4.5 1,-0.2 5,-0.4 0.969 113.1 45.2 -71.6 -56.0 -53.7 16.8 -18.8 25 54 A G H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.931 116.5 50.2 -47.8 -44.5 -55.3 16.8 -22.2 26 55 A F H X S+ 0 0 19 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.958 116.8 37.4 -67.1 -48.8 -58.2 15.0 -20.7 27 56 A M H X S+ 0 0 1 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.909 116.1 51.1 -72.0 -38.9 -58.6 17.4 -17.8 28 57 A Q H X S+ 0 0 53 -4,-4.5 4,-2.7 1,-0.2 5,-0.2 0.921 110.8 50.9 -59.6 -41.3 -57.9 20.6 -19.8 29 58 A E H X S+ 0 0 75 -4,-2.5 4,-2.4 -5,-0.4 5,-0.3 0.871 107.3 53.8 -61.2 -38.5 -60.4 19.4 -22.4 30 59 A C H X S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.869 109.8 48.4 -64.6 -35.6 -62.8 18.9 -19.5 31 60 A K H X>S+ 0 0 37 -4,-2.0 4,-1.7 2,-0.2 5,-0.9 0.985 116.6 38.4 -69.7 -57.9 -62.2 22.5 -18.5 32 61 A R H ><5S+ 0 0 147 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.983 117.7 50.5 -55.5 -57.6 -62.6 24.2 -21.9 33 62 A Q H 3<5S+ 0 0 122 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.826 120.7 35.4 -50.7 -37.1 -65.5 21.9 -22.9 34 63 A L H 3<5S- 0 0 41 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.455 101.4-131.8-101.5 -3.4 -67.3 22.6 -19.6 35 64 A K T <<5S+ 0 0 191 -4,-1.7 2,-0.2 -3,-1.3 -3,-0.2 0.950 72.4 83.5 58.1 61.3 -66.3 26.3 -19.1 36 65 A S S S- B 0 46A 9 3,-1.2 3,-1.2 -2,-0.7 -29,-0.2 -0.698 70.1 -35.5 -81.5 95.8 -65.0 7.6 -12.8 44 73 A V T 3 S- 0 0 37 -2,-1.2 -1,-0.2 1,-0.3 -30,-0.1 0.614 125.9 -37.6 73.5 14.7 -66.5 4.2 -12.8 45 74 A G T 3 S+ 0 0 60 1,-0.3 2,-0.5 141,-0.0 -1,-0.3 0.211 116.7 92.6 124.7 -16.1 -69.6 5.1 -10.9 46 75 A K E < S-B 43 0A 62 -3,-1.2 -3,-1.2 2,-0.0 -1,-0.3 -0.941 75.3-119.5-112.9 134.6 -68.5 7.6 -8.3 47 76 A R E -B 42 0A 72 -2,-0.5 299,-1.9 -5,-0.2 2,-0.5 -0.448 26.5-167.4 -66.9 132.9 -68.6 11.2 -8.8 48 77 A V E -Bc 41 346A 0 -7,-3.2 -7,-2.0 -2,-0.2 2,-0.4 -0.874 3.9-159.9-130.0 100.4 -65.2 12.9 -8.6 49 78 A T E -Bc 40 347A 0 297,-2.2 299,-3.0 -2,-0.5 2,-0.4 -0.709 8.5-153.5 -89.1 133.2 -65.1 16.7 -8.5 50 79 A I E -Bc 39 348A 0 -11,-2.9 2,-1.5 -2,-0.4 -11,-1.5 -0.866 13.3-147.5-112.5 129.4 -61.9 18.3 -9.4 51 80 A V E +B 38 0A 0 297,-3.0 -13,-0.2 -2,-0.4 299,-0.2 -0.681 32.0 163.0 -97.0 81.4 -60.8 21.7 -8.2 52 81 A G + 0 0 1 -15,-2.6 -14,-0.2 -2,-1.5 -1,-0.2 0.162 46.5 90.8 -91.5 19.5 -59.0 22.7 -11.3 53 82 A D > - 0 0 47 -16,-0.2 3,-3.0 1,-0.1 4,-0.1 -0.905 62.2-157.8-117.1 110.4 -58.8 26.3 -10.4 54 83 A P G > S+ 0 0 4 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.703 90.7 67.4 -63.9 -23.2 -55.7 27.4 -8.4 55 84 A H G 3 S+ 0 0 100 1,-0.2 3,-0.2 2,-0.1 4,-0.0 0.751 106.3 48.1 -62.0 -19.0 -57.3 30.5 -6.9 56 85 A E G X> S+ 0 0 45 -3,-3.0 3,-1.7 1,-0.1 4,-0.8 0.293 72.2 109.8-106.8 12.5 -59.4 27.8 -5.1 57 86 A H H X> S+ 0 0 7 -3,-1.4 4,-2.4 1,-0.3 3,-2.0 0.936 74.7 62.2 -48.5 -49.1 -56.7 25.4 -3.9 58 87 A S H 3> S+ 0 0 55 -4,-0.3 4,-1.7 1,-0.3 -1,-0.3 0.738 91.6 66.0 -53.2 -25.0 -57.4 26.6 -0.3 59 88 A R H <4 S+ 0 0 108 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.900 113.1 32.9 -61.3 -39.0 -60.9 25.2 -0.6 60 89 A F H << S+ 0 0 3 -3,-2.0 -2,-0.2 -4,-0.8 -1,-0.1 0.911 123.2 44.1 -79.2 -49.9 -59.4 21.7 -0.9 61 90 A F H < S+ 0 0 10 -4,-2.4 325,-1.4 1,-0.2 326,-0.3 0.704 110.3 49.7 -75.7 -20.0 -56.3 22.1 1.4 62 91 A L S < S+ 0 0 118 -4,-1.7 -1,-0.2 -5,-0.2 -3,-0.1 0.747 77.9 93.5 -98.3 -28.3 -57.7 24.0 4.5 63 92 A P S S- 0 0 36 0, 0.0 323,-0.2 0, 0.0 2,-0.0 -0.270 77.7 -99.2 -69.0 159.9 -60.9 22.4 5.9 64 93 A R >> - 0 0 164 1,-0.1 3,-2.9 322,-0.0 4,-2.0 -0.261 30.7-102.0 -76.7 161.5 -60.7 19.9 8.7 65 94 A N T 34 S+ 0 0 18 1,-0.3 6,-0.1 2,-0.2 -1,-0.1 0.625 119.6 69.7 -54.0 -13.0 -60.8 16.1 8.5 66 95 A E T 34 S+ 0 0 98 2,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.709 115.6 20.1 -81.4 -20.8 -64.4 16.4 9.7 67 96 A V T <4 S+ 0 0 38 -3,-2.9 264,-3.6 1,-0.2 265,-0.8 0.797 135.1 32.5-106.0 -60.4 -65.4 18.0 6.3 68 97 A L E < S-D 330 0A 5 -4,-2.0 -1,-0.2 262,-0.2 262,-0.2 -0.884 83.1-171.9-105.8 98.2 -62.7 16.9 3.8 69 98 A S E -D 329 0A 0 260,-2.9 260,-3.8 -2,-0.7 4,-0.4 -0.773 28.5-170.9-106.3 140.6 -61.4 13.4 4.9 70 99 A P > + 0 0 2 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.609 68.2 89.3 -98.2 -12.6 -58.6 11.3 3.7 71 100 A R T >4 S+ 0 0 70 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.931 92.1 40.5 -52.0 -58.0 -59.4 8.0 5.6 72 101 A E G >4 S+ 0 0 76 1,-0.2 3,-1.8 2,-0.2 4,-0.4 0.949 114.2 52.5 -56.8 -51.0 -61.6 6.4 2.9 73 102 A V G 34 S+ 0 0 4 -4,-0.4 -1,-0.2 1,-0.3 3,-0.2 0.721 114.4 42.0 -64.8 -20.5 -59.5 7.4 0.0 74 103 A Y G X< S+ 0 0 75 -4,-1.4 3,-1.9 -3,-0.7 -1,-0.3 0.330 81.4 103.6-110.3 7.5 -56.3 6.0 1.5 75 104 A S G X + 0 0 43 -3,-1.8 3,-4.1 -4,-0.5 -1,-0.1 0.866 66.9 73.1 -51.1 -40.0 -57.9 2.7 2.8 76 105 A F G 3 S+ 0 0 24 -4,-0.4 104,-0.3 1,-0.3 -1,-0.3 0.650 95.8 53.6 -56.4 -10.6 -56.3 0.9 -0.1 77 106 A M G X>>S+ 0 0 15 -3,-1.9 4,-2.0 1,-0.2 3,-1.6 0.481 73.3 107.6 -97.1 -1.8 -53.1 1.4 1.8 78 107 A V T <45S+ 0 0 30 -3,-4.1 4,-0.5 1,-0.3 -1,-0.2 0.686 80.6 50.1 -57.1 -16.5 -54.4 -0.2 5.0 79 108 A P T 345S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.706 109.9 46.0 -95.6 -18.8 -52.2 -3.2 4.4 80 109 A V T <45S+ 0 0 0 -3,-1.6 -2,-0.2 2,-0.1 174,-0.1 0.944 124.7 32.5 -77.2 -48.7 -48.9 -1.5 3.8 81 110 A F T <5S- 0 0 20 -4,-2.0 4,-0.3 1,-0.1 -3,-0.2 0.787 118.7-117.4 -72.5 -27.3 -49.2 0.9 6.8 82 111 A G < - 0 0 0 -5,-0.5 6,-0.2 -4,-0.5 -1,-0.1 -0.066 27.9 -76.1 98.0 157.8 -51.1 -1.7 8.8 83 112 A E S S+ 0 0 138 1,-0.2 -1,-0.1 -4,-0.1 -2,-0.1 0.853 128.0 40.1 -61.0 -41.9 -54.6 -1.7 10.2 84 113 A G S S+ 0 0 31 -3,-0.1 -1,-0.2 5,-0.1 -2,-0.1 0.946 98.7 97.7 -65.8 -45.9 -53.8 0.7 13.1 85 114 A V S > S- 0 0 1 -4,-0.3 3,-2.1 3,-0.2 4,-0.2 0.223 80.0 -31.1 -75.6 165.8 -51.5 3.1 11.4 86 115 A A G > S+ 0 0 4 1,-0.3 3,-2.3 2,-0.2 11,-0.1 -0.003 124.9 7.0 34.9-123.7 -51.7 6.6 9.8 87 116 A Y G 3 S+ 0 0 41 1,-0.3 -1,-0.3 7,-0.1 -13,-0.1 0.488 121.9 67.9 -67.9 -4.7 -55.0 7.5 8.1 88 117 A A G < S+ 0 0 37 -3,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 0.591 86.3 87.9 -85.4 -12.9 -56.8 4.4 9.4 89 118 A A S < S- 0 0 5 -3,-2.3 5,-0.1 -4,-0.2 6,-0.1 -0.557 98.6 -85.0 -85.5 150.4 -56.6 5.7 12.9 90 119 A P > - 0 0 88 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.158 57.8 -98.1 -46.3 149.8 -59.2 7.9 14.5 91 120 A Y H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.833 119.0 46.0 -51.6 -53.1 -58.4 11.5 13.6 92 121 A P H > S+ 0 0 95 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.905 115.9 49.6 -55.7 -42.9 -56.5 12.9 16.7 93 122 A R H > S+ 0 0 64 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.923 106.7 53.1 -58.2 -53.9 -54.4 9.6 16.8 94 123 A M H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.942 109.7 50.6 -43.5 -55.8 -53.5 9.8 13.1 95 124 A R H X S+ 0 0 68 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.847 108.2 51.1 -58.0 -38.7 -52.2 13.3 13.6 96 125 A E H X S+ 0 0 37 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.985 111.5 48.3 -63.1 -49.3 -50.1 12.3 16.6 97 126 A Q H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.917 111.0 48.8 -59.3 -48.1 -48.5 9.5 14.7 98 127 A L H X S+ 0 0 19 -4,-2.8 4,-2.7 -5,-0.2 3,-0.4 0.949 107.7 55.8 -58.2 -47.1 -47.7 11.6 11.7 99 128 A N H X S+ 0 0 73 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.925 104.8 53.0 -48.2 -48.8 -46.2 14.3 13.9 100 129 A F H < S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.891 110.5 46.9 -59.4 -38.7 -43.8 11.7 15.4 101 130 A L H >< S+ 0 0 7 -4,-1.8 3,-1.5 -3,-0.4 -1,-0.2 0.924 114.6 46.8 -63.5 -46.3 -42.6 10.7 12.0 102 131 A A H >< S+ 0 0 22 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.835 101.7 64.3 -66.7 -30.5 -42.3 14.4 11.0 103 132 A E T 3< S+ 0 0 120 -4,-3.3 -1,-0.3 1,-0.3 3,-0.2 0.648 104.3 51.8 -63.8 -7.6 -40.4 15.1 14.3 104 133 A E T < S+ 0 0 15 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.260 106.0 50.2-115.8 4.7 -37.9 12.7 12.7 105 134 A L S < S+ 0 0 13 -3,-2.0 289,-0.3 285,-0.1 2,-0.2 0.055 80.7 116.9-134.9 23.9 -37.4 14.4 9.4 106 135 A T S >> S- 0 0 60 -3,-0.2 3,-2.7 -4,-0.2 4,-0.6 -0.525 82.9 -95.8 -91.0 164.8 -36.8 18.0 10.2 107 136 A I T 34 S+ 0 0 83 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.662 118.6 72.5 -48.4 -17.4 -33.7 20.1 9.5 108 137 A A T >4 S+ 0 0 77 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.812 95.9 49.0 -73.3 -27.0 -32.6 19.3 13.1 109 138 A K G X4 S+ 0 0 80 -3,-2.7 3,-0.5 1,-0.2 4,-0.3 0.671 86.7 87.5 -84.2 -12.7 -31.8 15.7 12.1 110 139 A F G 3X + 0 0 0 -4,-0.6 4,-0.7 -3,-0.4 -1,-0.2 0.336 59.6 104.4 -71.1 12.5 -29.8 16.8 9.1 111 140 A Q G <4 S+ 0 0 70 -3,-0.5 3,-0.3 1,-0.2 188,-0.3 0.981 95.0 14.6 -59.1 -66.3 -26.7 17.0 11.3 112 141 A N T <> S+ 0 0 137 -3,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.423 109.7 91.7 -87.5 4.6 -24.8 13.9 10.3 113 142 A F H > S+ 0 0 22 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.801 72.7 57.1 -79.4 -43.1 -26.9 13.4 7.2 114 143 A V H X S+ 0 0 0 -4,-0.7 4,-3.6 -3,-0.3 5,-0.3 0.958 109.2 46.3 -58.1 -56.1 -25.0 15.1 4.4 115 144 A P H > S+ 0 0 46 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.902 114.1 50.8 -48.3 -41.8 -21.8 13.2 4.9 116 145 A A H X S+ 0 0 22 -4,-1.2 4,-1.1 2,-0.2 -2,-0.2 0.827 115.2 41.5 -72.8 -32.4 -23.9 10.0 5.0 117 146 A I H >X S+ 0 0 0 -4,-2.4 4,-2.4 -3,-0.2 3,-0.9 0.977 115.2 49.5 -72.2 -58.2 -25.6 10.9 1.9 118 147 A Q H 3X S+ 0 0 10 -4,-3.6 4,-2.6 1,-0.3 -2,-0.2 0.813 107.4 55.7 -51.4 -39.1 -22.5 12.1 0.1 119 148 A H H 3< S+ 0 0 112 -4,-2.7 4,-0.4 -5,-0.3 -1,-0.3 0.893 110.4 44.5 -61.5 -45.0 -20.6 9.0 1.0 120 149 A E H XX S+ 0 0 13 -4,-1.1 4,-3.4 -3,-0.9 3,-0.8 0.914 110.7 54.2 -67.0 -45.3 -23.2 6.7 -0.6 121 150 A V H 3X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 -2,-0.2 0.938 114.1 40.9 -54.4 -48.2 -23.5 8.9 -3.7 122 151 A R H 3< S+ 0 0 73 -4,-2.6 -1,-0.3 2,-0.2 -2,-0.2 0.547 114.4 54.9 -76.7 -9.3 -19.7 8.7 -4.2 123 152 A K H X> S+ 0 0 108 -3,-0.8 4,-1.1 -4,-0.4 3,-0.6 0.867 110.5 43.3 -88.7 -43.9 -19.7 5.1 -3.3 124 153 A F H >X S+ 0 0 17 -4,-3.4 4,-2.6 1,-0.3 3,-1.0 0.946 114.1 51.5 -62.0 -46.4 -22.3 4.3 -5.9 125 154 A M H 3X S+ 0 0 7 -4,-2.5 4,-0.7 -5,-0.3 -1,-0.3 0.680 109.0 53.6 -63.3 -17.8 -20.5 6.5 -8.4 126 155 A A H <4 S+ 0 0 67 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.2 0.593 114.8 35.8-100.2 -15.9 -17.3 4.5 -7.6 127 156 A A H << S+ 0 0 69 -4,-1.1 3,-0.3 -3,-1.0 -2,-0.2 0.792 133.9 25.0 -94.2 -36.8 -18.6 1.0 -8.2 128 157 A N H < S+ 0 0 84 -4,-2.6 2,-0.2 -5,-0.2 -3,-0.2 0.661 120.0 49.0-107.7 -24.5 -20.9 1.9 -11.1 129 158 A W S < S+ 0 0 3 -4,-0.7 -1,-0.2 -5,-0.5 -4,-0.1 -0.517 73.7 131.5-113.5 60.0 -19.6 5.1 -12.8 130 159 A D + 0 0 111 -3,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.704 46.1 73.2 -84.7 -28.9 -15.9 3.9 -13.0 131 160 A K S S- 0 0 131 -3,-0.2 3,-0.1 1,-0.1 311,-0.1 -0.241 85.5-111.2 -95.4 172.3 -14.9 4.6 -16.5 132 161 A D S S+ 0 0 142 1,-0.2 310,-2.2 309,-0.1 2,-0.3 0.949 108.3 9.9 -59.3 -48.0 -14.0 7.6 -18.6 133 162 A E E S+F 441 0B 102 308,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.921 76.6 149.1-134.0 153.1 -17.3 7.0 -20.5 134 163 A G E -F 440 0B 6 306,-1.2 306,-3.1 -2,-0.3 2,-0.3 -0.937 35.3-119.6-178.3 157.0 -20.3 4.7 -19.9 135 164 A E E +F 439 0B 96 -2,-0.3 2,-0.3 304,-0.2 304,-0.2 -0.855 35.0 158.7-108.0 143.1 -24.1 4.1 -20.3 136 165 A I E -F 438 0B 19 302,-1.8 302,-3.5 -2,-0.3 2,-0.9 -0.970 48.5-102.2-152.2 155.8 -26.5 3.5 -17.5 137 166 A N E > -F 437 0B 38 -2,-0.3 4,-2.5 300,-0.3 300,-0.2 -0.832 32.1-159.3 -84.3 109.4 -30.2 3.8 -16.8 138 167 A L H > S+ 0 0 0 298,-2.3 4,-2.2 -2,-0.9 5,-0.3 0.775 87.4 55.8 -58.6 -30.3 -30.4 7.1 -14.9 139 168 A L H > S+ 0 0 31 297,-0.3 4,-1.8 294,-0.2 -1,-0.2 0.945 111.0 43.5 -74.4 -41.0 -33.7 6.3 -13.4 140 169 A E H > S+ 0 0 129 -3,-0.2 4,-3.3 2,-0.2 5,-0.3 0.958 114.4 50.1 -56.3 -53.2 -32.5 3.0 -11.9 141 170 A D H X S+ 0 0 17 -4,-2.5 4,-2.6 1,-0.3 -2,-0.2 0.936 114.6 43.0 -62.2 -46.5 -29.2 4.5 -10.7 142 171 A C H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.3 0.883 112.9 54.2 -57.5 -38.9 -31.0 7.5 -9.0 143 172 A S H X S+ 0 0 29 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.925 111.4 45.0 -67.4 -40.1 -33.5 5.1 -7.6 144 173 A T H X S+ 0 0 53 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.890 110.6 52.5 -67.2 -41.1 -30.7 3.0 -6.1 145 174 A M H X S+ 0 0 2 -4,-2.6 4,-3.2 -5,-0.3 5,-0.2 0.938 108.2 52.9 -65.6 -37.0 -28.9 5.9 -4.7 146 175 A I H X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.953 109.8 45.1 -61.1 -56.1 -32.0 7.2 -3.0 147 176 A I H X S+ 0 0 12 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.860 116.3 49.5 -57.0 -36.5 -32.8 3.9 -1.2 148 177 A N H X S+ 0 0 31 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.990 113.1 42.9 -66.0 -59.6 -29.1 3.7 -0.2 149 178 A T H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 3,-0.5 0.929 110.8 56.7 -49.9 -52.8 -28.8 7.2 1.1 150 179 A A H X S+ 0 0 5 -4,-3.1 4,-2.3 1,-0.3 -1,-0.2 0.882 108.7 46.2 -53.2 -45.3 -32.2 7.0 3.0 151 180 A C H X S+ 0 0 4 -4,-1.7 4,-2.5 1,-0.2 -1,-0.3 0.874 108.3 56.5 -59.1 -41.0 -31.1 3.9 4.9 152 181 A Q H < S+ 0 0 53 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.876 114.7 39.5 -64.0 -32.6 -27.8 5.4 5.8 153 182 A C H < S+ 0 0 12 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.891 124.1 35.5 -79.5 -38.1 -29.6 8.3 7.3 154 183 A L H < S+ 0 0 6 -4,-2.3 74,-2.4 -5,-0.2 75,-0.6 0.693 108.5 51.8-102.6 -24.3 -32.4 6.5 9.0 155 184 A F S < S- 0 0 5 -4,-2.5 2,-0.1 -5,-0.2 71,-0.0 -0.794 76.6-114.0-112.7 156.9 -31.2 3.2 10.3 156 185 A G >> - 0 0 15 -2,-0.3 4,-3.3 1,-0.1 3,-0.7 -0.365 35.0-102.2 -77.8 165.4 -28.3 2.2 12.5 157 186 A E H 3> S+ 0 0 156 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.866 126.7 48.5 -47.5 -41.4 -25.4 0.0 11.4 158 187 A D H 34 S+ 0 0 64 2,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.624 108.4 50.9 -84.8 -17.4 -27.0 -2.8 13.3 159 188 A L H X> S+ 0 0 1 -3,-0.7 4,-2.4 2,-0.2 3,-1.6 0.916 114.8 44.9 -74.4 -51.4 -30.4 -2.2 11.7 160 189 A R H 3< S+ 0 0 61 -4,-3.3 -2,-0.3 1,-0.3 -3,-0.2 0.714 97.7 77.3 -54.8 -23.3 -28.5 -2.3 8.4 161 190 A K T 3< S+ 0 0 82 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.852 115.9 13.1 -59.4 -31.1 -26.7 -5.4 9.7 162 191 A R T <4 S+ 0 0 90 -3,-1.6 2,-0.5 -4,-0.4 -2,-0.2 0.634 131.7 46.0-120.8 -22.3 -29.7 -7.5 8.9 163 192 A L S < S+ 0 0 2 -4,-2.4 -1,-0.2 -5,-0.1 2,-0.1 -0.838 72.2 169.4-126.8 95.8 -31.9 -5.3 6.7 164 193 A D > - 0 0 73 -2,-0.5 4,-3.2 -3,-0.1 5,-0.3 -0.448 52.9 -81.6 -98.5 173.2 -30.0 -3.5 3.9 165 194 A A H > S+ 0 0 20 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.884 130.4 44.9 -30.1 -68.2 -31.0 -1.5 0.8 166 195 A R H > S+ 0 0 127 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.966 114.6 46.2 -39.7 -76.3 -31.5 -4.7 -1.1 167 196 A R H > S+ 0 0 73 1,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.861 116.1 46.3 -43.7 -52.3 -33.5 -6.6 1.6 168 197 A F H X S+ 0 0 1 -4,-3.2 4,-2.7 2,-0.2 -1,-0.3 0.935 113.0 47.0 -59.9 -53.2 -35.7 -3.6 2.3 169 198 A A H X S+ 0 0 44 -4,-3.1 4,-2.4 -5,-0.3 5,-0.2 0.945 111.1 53.0 -52.6 -48.7 -36.4 -2.8 -1.4 170 199 A Q H X S+ 0 0 137 -4,-3.1 4,-1.3 -5,-0.3 -1,-0.2 0.951 112.7 47.1 -49.8 -46.2 -37.2 -6.5 -1.9 171 200 A L H < S+ 0 0 24 -4,-2.9 4,-0.3 -5,-0.3 -2,-0.2 0.888 109.6 48.5 -67.9 -43.7 -39.6 -6.2 1.0 172 201 A L H >X S+ 0 0 10 -4,-2.7 4,-3.5 1,-0.2 3,-1.3 0.897 109.3 57.5 -58.2 -39.0 -41.4 -2.9 -0.0 173 202 A A H 3X S+ 0 0 54 -4,-2.4 4,-1.2 1,-0.3 -1,-0.2 0.802 102.9 50.4 -64.2 -36.3 -41.8 -4.5 -3.5 174 203 A K H 3< S+ 0 0 20 -4,-1.3 -1,-0.3 -5,-0.2 29,-0.2 0.495 117.8 43.2 -82.5 -0.8 -43.7 -7.5 -2.2 175 204 A M H X4 S+ 0 0 0 -3,-1.3 3,-2.8 -4,-0.3 4,-0.4 0.814 108.9 52.6-101.9 -53.8 -45.9 -5.0 -0.3 176 205 A E H >< S+ 0 0 61 -4,-3.5 3,-1.5 1,-0.3 -3,-0.2 0.802 101.9 64.2 -49.1 -36.5 -46.4 -2.3 -3.0 177 206 A S T 3< S+ 0 0 57 -4,-1.2 -1,-0.3 -5,-0.3 19,-0.1 0.398 90.1 65.6 -79.3 4.7 -47.6 -5.1 -5.2 178 207 A S T < S+ 0 0 21 -3,-2.8 2,-0.3 19,-0.1 -1,-0.3 0.661 81.5 114.5 -82.4 -17.2 -50.5 -5.8 -2.9 179 208 A L < - 0 0 21 -3,-1.5 3,-0.1 -4,-0.4 -102,-0.1 -0.343 44.4-174.5 -77.7 122.1 -52.0 -2.4 -3.8 180 209 A I > + 0 0 67 -104,-0.3 3,-3.2 -2,-0.3 4,-0.1 -0.619 9.4 174.7-102.0 75.7 -55.3 -1.8 -5.7 181 210 A P G > S+ 0 0 52 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.805 76.6 65.4 -50.2 -36.5 -55.3 2.1 -6.2 182 211 A A G >> S+ 0 0 39 1,-0.3 3,-1.3 2,-0.2 4,-1.1 0.687 79.7 84.1 -60.2 -14.1 -58.4 1.9 -8.3 183 212 A A G <4 S+ 0 0 5 -3,-3.2 -1,-0.3 1,-0.3 7,-0.2 0.548 71.5 77.4 -66.3 -7.1 -60.1 0.7 -5.1 184 213 A V G <4 S+ 0 0 18 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.896 103.5 34.8 -59.6 -43.4 -60.5 4.4 -4.2 185 214 A F T <4 S+ 0 0 32 -3,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.698 132.1 31.0 -91.7 -22.0 -63.4 4.6 -6.6 186 215 A L >< - 0 0 48 -4,-1.1 3,-2.4 1,-0.1 4,-0.3 -0.728 64.8-177.7-133.8 87.2 -64.7 1.1 -6.0 187 216 A P T >> S+ 0 0 64 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.606 76.1 80.0 -57.7 -9.2 -64.0 0.2 -2.3 188 217 A I H 3> S+ 0 0 122 1,-0.3 4,-0.8 2,-0.2 3,-0.4 0.715 77.3 69.6 -74.5 -21.5 -65.5 -3.2 -3.2 189 218 A L H <4 S+ 0 0 54 -3,-2.4 -1,-0.3 1,-0.2 -6,-0.1 0.864 87.0 66.6 -59.6 -36.4 -62.3 -4.2 -4.8 190 219 A L H <4 S+ 0 0 78 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.848 101.9 48.8 -55.9 -42.7 -60.6 -4.3 -1.3 191 220 A K H < S+ 0 0 94 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.1 0.989 111.5 34.8 -57.9 -84.8 -62.8 -7.2 -0.3 192 221 A L S < S+ 0 0 76 -4,-0.8 -2,-0.1 2,-0.0 -3,-0.1 0.859 93.1 73.3 -50.3 -78.9 -62.7 -10.0 -3.0 193 222 A P + 0 0 63 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.173 47.0 160.8 -48.4 121.6 -59.2 -10.3 -4.8 194 223 A L > + 0 0 128 3,-0.0 4,-0.7 2,-0.0 3,-0.4 0.103 32.4 107.1-132.4 26.2 -56.6 -11.9 -2.6 195 224 A P T >4 S+ 0 0 121 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.996 91.5 30.1 -75.9 -59.2 -53.6 -13.3 -4.7 196 225 A Q T 3> S+ 0 0 34 1,-0.2 4,-0.6 2,-0.1 -17,-0.1 0.225 105.5 88.6 -80.7 17.2 -50.7 -10.9 -4.0 197 226 A S H >> S+ 0 0 44 -3,-0.4 4,-1.9 2,-0.2 3,-0.5 0.924 84.2 43.9 -82.5 -51.2 -52.3 -10.3 -0.5 198 227 A A H S+ 0 0 164 -4,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.776 106.4 47.1 -85.3 -29.0 -47.4 -12.2 -0.1 200 229 A C H X S+ 0 0 120 -4,-2.2 3,-1.3 -5,-0.2 4,-0.8 0.929 116.0 42.4 -50.9 -50.6 -34.4 -6.8 21.9 217 246 A A H 3X S+ 0 0 58 -4,-3.1 4,-1.9 1,-0.3 3,-0.4 0.826 108.2 61.1 -69.3 -31.4 -30.7 -6.7 20.9 218 247 A R H 3X S+ 0 0 67 -4,-2.8 4,-0.6 -5,-0.3 -1,-0.3 0.584 103.6 52.7 -65.4 -14.0 -30.7 -2.9 21.2 219 248 A K H << S+ 0 0 71 -3,-1.3 4,-0.4 -4,-0.6 -1,-0.2 0.626 106.5 46.8-107.2 -18.9 -31.6 -3.4 24.9 220 249 A E H >< S+ 0 0 73 -4,-0.8 3,-0.9 -3,-0.4 -2,-0.2 0.843 103.2 70.5 -76.8 -44.5 -28.8 -5.9 25.9 221 250 A E H 3< S+ 0 0 81 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.840 101.0 40.8 -30.3 -63.1 -26.4 -3.5 24.1 222 251 A E T 3< 0 0 93 -4,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.749 360.0 360.0 -68.2 -26.7 -26.7 -0.6 26.7 223 252 A V < 0 0 121 -3,-0.9 -2,-0.1 -4,-0.4 -3,-0.1 0.937 360.0 360.0 -59.0 360.0 -26.6 -2.9 29.8 224 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 225 258 A T 0 0 161 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.6 -26.9 7.3 19.5 226 259 A S + 0 0 73 4,-0.1 2,-0.3 3,-0.1 3,-0.0 0.374 360.0 162.0 -56.5 171.0 -30.2 7.9 17.7 227 260 A D > - 0 0 17 -71,-0.1 4,-2.0 -73,-0.0 -72,-0.2 -0.901 58.6 -72.9-167.7-177.1 -31.8 6.9 14.3 228 261 A L H > S+ 0 0 4 -74,-2.4 4,-1.4 -2,-0.3 -73,-0.1 0.817 126.5 47.9 -58.6 -37.0 -35.4 6.8 12.9 229 262 A L H > S+ 0 0 2 -75,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.933 109.2 48.6 -74.4 -47.5 -36.4 3.7 14.9 230 263 A S H > S+ 0 0 45 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.886 109.4 58.1 -61.0 -37.0 -35.2 4.7 18.4 231 264 A G H >X S+ 0 0 9 -4,-2.0 3,-0.8 1,-0.2 4,-0.5 0.920 105.8 46.9 -53.6 -51.3 -36.9 8.0 17.8 232 265 A L H >< S+ 0 0 0 -4,-1.4 3,-0.7 1,-0.3 -1,-0.2 0.825 109.2 52.8 -69.3 -34.4 -40.3 6.4 17.2 233 266 A L H 3< S+ 0 0 67 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.654 105.1 58.0 -72.6 -15.3 -40.1 4.1 20.3 234 267 A S H << S+ 0 0 90 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.647 85.1 108.1 -85.4 -14.4 -39.3 7.2 22.4 235 268 A A << - 0 0 11 -3,-0.7 2,-0.4 -4,-0.5 8,-0.3 -0.367 52.5-160.7 -71.0 140.8 -42.6 8.9 21.3 236 269 A V - 0 0 96 6,-0.1 5,-0.1 -2,-0.1 4,-0.1 -0.979 12.3-131.8-122.9 131.8 -45.5 9.2 23.9 237 270 A Y - 0 0 7 4,-2.1 -144,-0.0 -2,-0.4 6,-0.0 -0.352 36.7 -93.2 -78.2 163.0 -49.2 9.8 23.0 238 271 A R S S+ 0 0 143 -2,-0.1 -1,-0.1 -145,-0.0 -145,-0.0 0.796 119.4 34.3 -39.3 -41.3 -51.5 12.4 24.6 239 272 A D S S- 0 0 94 2,-0.1 0, 0.0 3,-0.1 0, 0.0 0.201 119.0 -72.9 -90.6-140.6 -52.5 9.7 27.0 240 273 A G S S+ 0 0 59 -4,-0.1 -3,-0.3 2,-0.0 0, 0.0 0.959 86.9 109.2 -84.3 -56.1 -50.2 7.0 28.3 241 274 A T - 0 0 53 -5,-0.1 -4,-2.1 1,-0.0 -2,-0.1 0.297 51.4-150.0 -30.6 134.7 -49.5 4.5 25.5 242 275 A P - 0 0 85 0, 0.0 2,-0.4 0, 0.0 -6,-0.1 0.029 46.9 -74.9 -70.3-162.6 -46.2 4.3 23.7 243 276 A M - 0 0 9 -8,-0.3 2,-0.1 -11,-0.2 -8,-0.0 -0.900 48.8-128.0 -96.9 138.1 -46.3 3.2 20.0 244 277 A S > - 0 0 54 -2,-0.4 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