==== 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 01-APR-09 3GWF . COMPND 2 MOLECULE: CYCLOHEXANONE MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR I.A.MIRZA,B.J.YACHNIN,A.M.BERGHUIS . 511 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 42 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 0 2 1 0 2 1 0 1 1 2 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 3 2 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 PARALLEL BRIDGES PER LADDER . 4 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 1 0 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 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 6 A T 0 0 131 0, 0.0 2,-0.6 0, 0.0 128,-0.2 0.000 360.0 360.0 360.0 -62.6 -40.9 -16.3 24.6 2 7 A H E -a 129 0A 66 126,-2.4 128,-3.1 129,-0.0 2,-0.7 -0.777 360.0-154.8 -89.9 122.4 -38.3 -14.9 27.2 3 8 A T E +a 130 0A 118 -2,-0.6 2,-0.3 126,-0.2 128,-0.2 -0.867 26.2 163.4 -94.3 116.1 -39.5 -11.8 29.1 4 9 A V E -a 131 0A 14 126,-2.9 128,-0.6 -2,-0.7 26,-0.2 -0.840 44.3-131.0-125.6 166.3 -36.6 -9.8 30.2 5 10 A D E S+ 0 0 44 24,-2.1 128,-1.9 -2,-0.3 127,-1.0 0.902 89.1 13.3 -80.0 -42.3 -36.1 -6.2 31.5 6 11 A A E -ab 133 30A 0 23,-2.1 25,-2.1 126,-0.2 2,-0.4 -0.978 55.8-155.0-143.9 146.1 -33.2 -5.4 29.2 7 12 A V E -ab 134 31A 0 126,-2.3 128,-3.1 -2,-0.3 2,-0.5 -0.969 11.2-163.5-117.9 132.2 -31.3 -6.7 26.1 8 13 A V E -ab 135 32A 0 23,-2.9 25,-2.0 -2,-0.4 2,-0.7 -0.972 6.1-154.6-116.1 125.7 -27.7 -5.8 25.4 9 14 A I E +ab 136 33A 13 126,-2.6 128,-2.7 -2,-0.5 25,-0.2 -0.893 61.9 25.2-100.3 113.3 -26.2 -6.3 22.0 10 15 A G - 0 0 7 23,-3.5 23,-0.2 -2,-0.7 24,-0.2 0.034 57.4-136.4 117.1 143.5 -22.4 -6.8 22.0 11 16 A A + 0 0 0 4,-0.2 29,-3.1 27,-0.1 30,-0.2 -0.117 66.2 106.6-122.9 37.1 -19.8 -8.1 24.4 12 17 A G S > S- 0 0 14 125,-0.4 4,-2.7 28,-0.2 5,-0.3 -0.181 98.4 -63.0 -86.9-168.7 -17.0 -5.6 23.9 13 18 A F H > S+ 0 0 11 27,-0.4 4,-1.9 1,-0.2 5,-0.2 0.878 138.0 48.3 -37.5 -50.2 -16.1 -2.9 26.5 14 19 A G H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 114.4 40.5 -68.7 -49.3 -19.5 -1.4 26.0 15 20 A G H > S+ 0 0 0 122,-0.3 4,-2.4 2,-0.2 5,-0.2 0.862 113.1 55.4 -68.3 -37.5 -21.8 -4.4 26.3 16 21 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.950 113.6 40.6 -58.3 -51.3 -19.7 -5.9 29.2 17 22 A Y H X S+ 0 0 4 -4,-1.9 4,-3.0 -5,-0.3 -2,-0.2 0.858 112.8 55.3 -69.0 -36.0 -20.2 -2.7 31.2 18 23 A A H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.916 109.4 46.9 -62.6 -42.1 -23.8 -2.3 30.2 19 24 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.4 0.957 113.3 49.3 -66.0 -46.3 -24.7 -5.8 31.4 20 25 A H H X>S+ 0 0 15 -4,-2.2 4,-2.8 -5,-0.2 5,-0.8 0.961 114.3 44.8 -52.6 -55.6 -22.8 -5.2 34.7 21 26 A K H X>S+ 0 0 21 -4,-3.0 5,-1.7 1,-0.2 4,-1.1 0.936 116.9 43.4 -58.3 -50.0 -24.6 -1.9 35.3 22 27 A L H <5S+ 0 0 2 -4,-2.6 6,-2.5 3,-0.2 -1,-0.2 0.884 122.9 37.0 -65.2 -40.5 -28.1 -3.1 34.4 23 28 A H H X5S+ 0 0 72 -4,-2.7 4,-0.7 -5,-0.3 -2,-0.2 0.974 127.8 29.5 -76.3 -55.2 -27.8 -6.4 36.3 24 29 A H H <5S+ 0 0 131 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.1 0.950 129.2 31.6 -77.1 -52.5 -25.8 -5.4 39.3 25 30 A E T < - 0 0 1 -29,-3.1 3,-1.8 48,-0.1 -27,-0.4 -0.021 61.8-157.0 130.4 -31.9 -13.9 -9.0 24.0 41 46 A G T >> S+ 0 0 9 -3,-0.5 3,-2.0 1,-0.3 4,-1.9 -0.365 81.8 10.1 59.5-123.0 -15.6 -7.5 20.9 42 47 A T H 3> S+ 0 0 57 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.828 131.6 56.8 -57.1 -29.7 -13.1 -6.0 18.6 43 48 A W H <4 S+ 0 0 28 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.600 107.3 49.0 -77.8 -11.6 -10.3 -7.6 20.7 44 49 A Y H <4 S+ 0 0 41 -3,-2.0 -2,-0.2 -6,-0.1 -1,-0.2 0.814 117.0 40.5 -85.3 -39.8 -11.9 -11.0 20.1 45 50 A W H < S+ 0 0 72 -4,-1.9 2,-0.9 1,-0.2 120,-0.4 0.911 106.9 63.2 -76.2 -46.0 -12.2 -10.5 16.3 46 51 A N < + 0 0 15 -4,-2.6 -1,-0.2 -5,-0.2 117,-0.2 -0.742 50.2 146.2 -93.2 103.5 -8.8 -8.8 15.6 47 52 A R + 0 0 75 -2,-0.9 -1,-0.1 115,-0.6 116,-0.1 0.009 23.8 140.5-124.6 21.0 -6.0 -11.1 16.4 48 53 A Y > - 0 0 21 114,-0.4 3,-1.5 1,-0.1 33,-0.2 -0.267 63.6 -88.3 -64.5 153.4 -3.5 -10.1 13.7 49 54 A P T 3 S+ 0 0 35 0, 0.0 142,-0.3 0, 0.0 143,-0.2 -0.428 113.0 22.3 -67.4 138.8 0.2 -9.9 14.6 50 55 A G T 3 S+ 0 0 41 1,-0.3 2,-0.2 141,-0.1 -2,-0.1 0.453 79.0 160.3 84.9 1.8 1.3 -6.5 16.0 51 56 A A < + 0 0 5 -3,-1.5 30,-1.5 137,-0.0 2,-0.3 -0.439 17.6 163.0 -57.2 120.2 -2.3 -5.6 17.1 52 57 A L E -I 80 0B 19 -2,-0.2 28,-0.2 28,-0.2 135,-0.1 -0.991 38.2-110.6-148.3 143.5 -1.6 -2.9 19.7 53 58 A S E - 0 0 6 26,-2.3 4,-0.1 -2,-0.3 28,-0.0 -0.259 8.2-149.7 -65.7 158.8 -3.6 -0.1 21.4 54 59 A D E S+ 0 0 41 2,-0.1 2,-0.4 24,-0.1 220,-0.3 0.388 83.2 79.7-108.2 0.3 -2.9 3.6 20.7 55 60 A T E S- 0 0 2 24,-0.1 24,-0.6 217,-0.1 5,-0.1 -0.894 98.6-102.8 -98.6 131.5 -4.0 4.3 24.3 56 61 A E E >> -I 78 0B 35 -2,-0.4 3,-1.8 187,-0.3 4,-0.8 -0.210 35.0-111.7 -53.6 145.4 -1.3 3.7 27.0 57 62 A S G >4 S+ 0 0 0 20,-2.8 3,-0.8 1,-0.3 21,-0.1 0.814 113.4 57.3 -53.9 -40.8 -2.0 0.4 28.9 58 63 A H G 34 S+ 0 0 21 19,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.662 114.9 38.7 -67.8 -16.8 -2.8 2.0 32.3 59 64 A L G <4 S+ 0 0 0 -3,-1.8 2,-1.2 1,-0.1 -1,-0.2 0.412 92.4 86.3-111.9 -4.8 -5.6 4.0 30.6 60 65 A Y S << S+ 0 0 31 -4,-0.8 2,-0.3 -3,-0.8 -1,-0.1 -0.586 85.8 59.5 -98.8 71.9 -7.0 1.4 28.2 61 66 A R S S- 0 0 2 -2,-1.2 2,-0.1 -3,-0.1 23,-0.0 -0.963 95.3 -63.9-176.1 172.2 -9.4 -0.1 30.7 62 67 A F - 0 0 4 -2,-0.3 -2,-0.0 1,-0.1 -49,-0.0 -0.420 30.4-167.1 -74.3 157.0 -12.3 0.5 33.0 63 68 A S + 0 0 10 370,-0.1 -1,-0.1 -2,-0.1 6,-0.1 0.348 65.4 91.9-121.7 1.7 -11.9 2.9 35.9 64 69 A F S S+ 0 0 54 1,-0.1 2,-0.7 2,-0.0 -1,-0.0 0.763 76.9 62.8 -74.0 -25.8 -15.0 2.2 37.9 65 70 A D > - 0 0 30 1,-0.2 4,-1.7 2,-0.1 -1,-0.1 -0.877 62.5-169.5-104.5 108.9 -13.5 -0.5 40.1 66 71 A R H > S+ 0 0 148 -2,-0.7 4,-0.8 1,-0.2 -1,-0.2 0.813 88.4 51.0 -69.6 -32.3 -10.7 0.9 42.3 67 72 A D H > S+ 0 0 102 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.877 106.4 54.7 -68.2 -40.9 -9.6 -2.5 43.5 68 73 A L H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.904 103.6 55.6 -61.2 -42.0 -9.4 -3.9 39.9 69 74 A L H < S+ 0 0 8 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.811 107.7 49.6 -58.9 -32.3 -7.1 -1.0 38.9 70 75 A Q H < S+ 0 0 93 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.803 114.8 45.8 -73.7 -26.0 -4.7 -2.0 41.7 71 76 A E H < S+ 0 0 108 -4,-1.2 -2,-0.2 -3,-0.4 -3,-0.1 0.840 88.4 88.6 -91.9 -41.2 -4.8 -5.6 40.6 72 77 A S < - 0 0 19 -4,-2.3 2,-0.3 1,-0.0 15,-0.0 -0.266 54.8-167.3 -58.8 145.1 -4.3 -5.7 36.8 73 78 A T - 0 0 108 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.827 6.6-169.4-124.6 172.4 -0.8 -5.8 35.4 74 79 A W - 0 0 15 -2,-0.3 143,-0.1 1,-0.1 148,-0.1 -0.960 21.6-136.4-157.8 156.3 0.6 -5.3 31.9 75 80 A K S S+ 0 0 164 -2,-0.3 142,-2.3 3,-0.1 2,-0.2 0.802 80.4 22.5 -90.8 -34.0 4.0 -5.9 30.2 76 81 A T B S-J 216 0C 28 2,-0.4 -19,-0.2 140,-0.3 138,-0.1 -0.794 85.6 -97.4-134.0 170.3 4.7 -2.7 28.2 77 82 A T S S+ 0 0 39 138,-2.6 -20,-2.8 -2,-0.2 -19,-0.3 0.749 113.2 43.0 -66.9 -24.2 3.5 0.9 28.1 78 83 A Y E S-I 56 0B 11 -22,-0.3 -2,-0.4 137,-0.2 2,-0.4 -0.790 91.2-120.7-113.6 164.4 1.0 0.0 25.3 79 84 A I E - 0 0 4 -24,-0.6 -26,-2.3 -2,-0.3 2,-0.1 -0.869 15.0-138.6-119.8 139.2 -1.2 -3.1 25.4 80 85 A T E > -I 52 0B 43 -2,-0.4 4,-2.5 -28,-0.2 3,-0.4 -0.464 29.4-106.1 -91.6 159.7 -1.5 -6.0 23.0 81 86 A Q H > S+ 0 0 23 -30,-1.5 4,-3.1 1,-0.2 5,-0.3 0.908 119.0 51.5 -47.7 -50.8 -4.6 -7.8 21.8 82 87 A P H > S+ 0 0 80 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.878 112.1 47.6 -61.5 -31.5 -4.0 -10.9 23.9 83 88 A E H > S+ 0 0 38 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.917 114.3 45.2 -72.6 -43.6 -3.5 -8.8 27.1 84 89 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.923 112.5 51.0 -63.3 -45.8 -6.6 -6.7 26.4 85 90 A L H X S+ 0 0 27 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.942 110.8 49.4 -58.1 -48.7 -8.7 -9.8 25.6 86 91 A E H X S+ 0 0 138 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.871 110.4 50.9 -53.6 -44.8 -7.4 -11.4 28.9 87 92 A Y H X S+ 0 0 15 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.942 112.8 44.6 -60.4 -49.0 -8.4 -8.2 30.8 88 93 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.891 112.6 51.4 -66.2 -39.4 -11.9 -8.2 29.3 89 94 A E H X S+ 0 0 68 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.906 110.8 50.4 -59.4 -41.1 -12.4 -11.9 29.9 90 95 A D H X S+ 0 0 77 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.895 107.7 51.8 -66.0 -43.7 -11.3 -11.3 33.5 91 96 A V H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.934 109.2 51.7 -53.4 -48.4 -13.8 -8.4 33.9 92 97 A V H <>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 6,-0.5 0.930 115.9 39.5 -58.3 -46.1 -16.6 -10.8 32.7 93 98 A D H ><5S+ 0 0 90 -4,-2.1 3,-1.1 3,-0.2 -1,-0.2 0.890 110.1 60.1 -73.3 -34.3 -15.6 -13.5 35.2 94 99 A R H 3<5S+ 0 0 85 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.845 115.1 34.8 -57.0 -38.0 -14.9 -11.0 38.0 95 100 A F T 3<5S- 0 0 41 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.239 110.6-117.8-106.5 13.6 -18.5 -9.7 37.9 96 101 A D T < 5 + 0 0 84 -3,-1.1 -3,-0.2 -4,-0.1 3,-0.1 0.888 65.7 143.3 51.9 50.0 -20.1 -13.1 37.0 97 102 A L > < + 0 0 0 -5,-2.8 3,-1.9 -6,-0.2 4,-0.5 0.642 44.4 83.5 -90.1 -19.8 -21.4 -11.8 33.6 98 103 A R G > S+ 0 0 87 -6,-0.5 3,-1.8 1,-0.3 -1,-0.1 0.882 84.5 57.6 -56.6 -44.9 -20.9 -14.9 31.6 99 104 A R G 3 S+ 0 0 184 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.578 105.6 54.4 -62.1 -14.1 -24.3 -16.6 32.6 100 105 A H G < S+ 0 0 35 -3,-1.9 -68,-3.0 -69,-0.1 2,-0.4 0.501 96.4 81.3 -96.5 -8.9 -26.0 -13.4 31.3 101 106 A F E < -c 32 0A 15 -3,-1.8 2,-0.6 -4,-0.5 -68,-0.2 -0.775 61.3-154.2-101.5 143.5 -24.5 -13.6 27.8 102 107 A K E -c 33 0A 52 -70,-2.5 -68,-1.8 -2,-0.4 3,-0.4 -0.944 24.4-164.4-110.4 107.2 -25.5 -15.7 24.9 103 108 A F E +c 34 0A 45 -2,-0.6 -66,-0.3 1,-0.2 -68,-0.2 -0.453 66.7 32.6 -90.1 161.1 -22.5 -16.2 22.7 104 109 A G S S+ 0 0 28 -68,-2.6 2,-0.4 -70,-0.6 -69,-0.3 0.818 96.6 122.3 65.2 30.7 -22.3 -17.4 19.1 105 110 A T - 0 0 15 -71,-2.6 2,-0.4 -3,-0.4 -1,-0.2 -0.944 48.9-159.4-139.4 109.0 -25.6 -15.7 18.8 106 111 A E - 0 0 44 -2,-0.4 18,-2.4 -71,-0.2 2,-0.6 -0.729 17.3-134.8 -90.2 132.4 -26.5 -12.9 16.3 107 112 A V E +D 123 0A 5 -2,-0.4 16,-0.3 16,-0.2 3,-0.1 -0.790 24.6 178.9 -81.0 118.9 -29.5 -10.5 16.9 108 113 A T E + 0 0 52 14,-2.0 280,-2.6 -2,-0.6 2,-0.3 0.703 60.9 14.2 -96.6 -27.2 -31.3 -10.3 13.5 109 114 A S E -De 122 388A 11 13,-1.4 13,-1.7 278,-0.2 2,-0.3 -0.992 45.1-171.3-147.5 159.1 -34.2 -8.0 14.5 110 115 A A E -De 121 389A 0 278,-2.2 280,-2.7 -2,-0.3 2,-0.5 -0.868 21.5-177.9-147.5 106.7 -35.4 -5.6 17.2 111 116 A L E -De 120 390A 41 9,-2.8 9,-3.5 -2,-0.3 2,-0.4 -0.943 22.4-133.1-118.8 127.6 -38.9 -4.5 16.7 112 117 A Y E -D 119 0A 14 278,-2.8 2,-0.8 -2,-0.5 7,-0.2 -0.609 11.5-149.0 -75.7 128.0 -40.8 -2.0 18.9 113 118 A L E >> -D 118 0A 31 5,-3.3 4,-1.8 -2,-0.4 5,-1.1 -0.871 8.8-163.7 -98.7 104.3 -44.3 -3.2 19.9 114 119 A D T 45S+ 0 0 55 -2,-0.8 -1,-0.2 1,-0.2 3,-0.1 0.896 83.5 51.8 -57.0 -45.8 -46.2 0.1 20.1 115 120 A D T 45S+ 0 0 148 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.872 120.7 31.6 -61.9 -38.3 -49.2 -1.3 22.1 116 121 A E T 45S- 0 0 90 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.594 97.0-128.3-100.0 -9.2 -47.0 -2.9 24.8 117 122 A N T <5 + 0 0 26 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.936 68.0 125.3 56.8 47.9 -44.1 -0.6 25.0 118 123 A L E < -D 113 0A 40 -5,-1.1 -5,-3.3 -7,-0.0 2,-0.5 -0.925 60.8-126.9-130.9 156.3 -41.7 -3.5 24.6 119 124 A W E -DF 112 131A 0 12,-3.2 12,-2.6 -2,-0.3 2,-0.7 -0.927 16.8-150.0-102.5 128.3 -38.9 -4.5 22.2 120 125 A E E -DF 111 130A 48 -9,-3.5 -9,-2.8 -2,-0.5 2,-0.5 -0.902 19.3-172.6 -99.4 113.5 -39.2 -7.8 20.5 121 126 A V E -DF 110 129A 0 8,-3.4 8,-3.3 -2,-0.7 2,-0.4 -0.928 3.1-169.4-115.0 129.2 -35.7 -9.1 19.8 122 127 A T E -DF 109 128A 30 -13,-1.7 -14,-2.0 -2,-0.5 -13,-1.4 -0.912 8.9-144.8-120.6 145.3 -35.0 -12.3 17.8 123 128 A T E > -D 107 0A 3 4,-2.2 3,-2.1 -2,-0.4 -16,-0.2 -0.608 32.7-104.7-101.2 164.9 -31.8 -14.2 17.3 124 129 A D T 3 S+ 0 0 75 -18,-2.4 -17,-0.1 1,-0.3 -19,-0.0 0.633 121.3 56.6 -63.8 -15.7 -30.5 -16.1 14.2 125 130 A H T 3 S- 0 0 142 -19,-0.2 -1,-0.3 2,-0.1 -20,-0.0 0.310 123.9-102.2 -96.3 7.5 -31.4 -19.4 15.9 126 131 A G S < S+ 0 0 53 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.507 70.8 146.2 89.6 6.1 -35.1 -18.3 16.3 127 132 A E - 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0 0 29 0, 0.0 112,-0.5 0, 0.0 2,-0.3 -0.468 24.2-149.4 -63.2 139.5 0.5 6.8 2.7 207 212 A Q - 0 0 73 -26,-0.3 2,-0.3 110,-0.2 114,-0.1 -0.758 18.3-100.0-114.6 157.7 -0.5 8.1 6.1 208 213 A Y + 0 0 19 -2,-0.3 118,-0.9 110,-0.1 2,-0.3 -0.571 47.6 174.4 -69.7 137.2 1.1 10.3 8.7 209 214 A S E -p 326 0F 0 -2,-0.3 118,-0.3 116,-0.1 123,-0.0 -0.990 15.0-167.4-151.8 137.2 2.5 8.2 11.5 210 215 A V E -p 327 0F 2 116,-1.9 118,-2.0 -2,-0.3 63,-0.1 -0.810 40.9 -81.0-121.4 160.9 4.5 9.0 14.6 211 216 A P E -p 328 0F 32 0, 0.0 61,-2.9 0, 0.0 118,-0.2 -0.376 26.5-154.2 -61.3 140.8 6.4 6.6 17.0 212 217 A V - 0 0 4 116,-2.4 117,-0.1 59,-0.3 61,-0.0 0.791 21.5-145.3 -82.2 -28.8 4.3 4.9 19.6 213 218 A G - 0 0 15 115,-0.5 2,-0.7 1,-0.2 -136,-0.1 0.925 23.4-176.0 58.1 47.9 7.3 4.5 22.0 214 219 A N + 0 0 51 114,-0.1 -1,-0.2 -137,-0.1 -2,-0.1 -0.677 11.6 171.5 -76.7 111.0 6.0 1.1 23.3 215 220 A R - 0 0 119 -2,-0.7 -138,-2.6 1,-0.0 -137,-0.2 -0.847 37.5 -95.9-124.0 153.8 8.5 0.2 26.1 216 221 A P B -J 76 0C 101 0, 0.0 2,-0.3 0, 0.0 -140,-0.3 -0.397 39.7-139.6 -63.3 146.9 8.8 -2.5 28.8 217 222 A V - 0 0 32 -142,-2.3 -143,-0.0 -143,-0.1 3,-0.0 -0.812 4.7-134.1-104.1 149.7 7.5 -1.5 32.2 218 223 A N > - 0 0 84 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.586 24.6-118.8 -84.8 161.9 9.1 -2.3 35.6 219 224 A P H > S+ 0 0 97 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.786 119.8 55.5 -70.1 -24.2 6.9 -3.5 38.5 220 225 A E H > S+ 0 0 131 2,-0.2 4,-1.4 1,-0.2 -3,-0.0 0.840 105.4 51.1 -69.9 -35.6 8.2 -0.4 40.3 221 226 A Q H > S+ 0 0 78 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.875 109.1 48.4 -72.8 -38.7 6.9 1.8 37.4 222 227 A I H X S+ 0 0 16 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.877 107.0 60.1 -63.6 -36.9 3.4 0.2 37.5 223 228 A A H X S+ 0 0 52 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.879 102.2 51.6 -57.9 -40.9 3.6 0.9 41.3 224 229 A E H X S+ 0 0 137 -4,-1.4 4,-0.6 2,-0.2 -1,-0.2 0.937 112.1 45.9 -59.5 -51.8 4.0 4.6 40.6 225 230 A I H >< S+ 0 0 41 -4,-1.6 3,-1.3 1,-0.2 4,-0.3 0.935 113.4 49.7 -53.9 -50.6 0.9 4.7 38.3 226 231 A K H >< S+ 0 0 27 -4,-2.8 3,-0.9 1,-0.3 4,-0.2 0.845 105.1 55.9 -66.7 -34.5 -1.1 2.6 40.8 227 232 A A H 3< S+ 0 0 91 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.630 118.5 35.4 -69.1 -14.5 -0.3 4.8 43.8 228 233 A D T XX S+ 0 0 49 -3,-1.3 4,-2.3 -4,-0.6 3,-0.6 0.257 79.6 119.1-121.9 11.3 -1.6 7.8 41.8 229 234 A Y H <> S+ 0 0 3 -3,-0.9 4,-2.7 -4,-0.3 5,-0.3 0.809 71.8 56.0 -53.4 -40.2 -4.5 6.2 39.9 230 235 A D H 3> S+ 0 0 87 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 112.0 42.4 -57.7 -47.5 -7.2 8.4 41.4 231 236 A R H <> S+ 0 0 123 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.904 112.0 56.4 -65.3 -43.2 -5.5 11.6 40.3 232 237 A I H X S+ 0 0 27 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.907 111.7 41.0 -53.5 -50.6 -4.8 10.0 36.9 233 238 A W H X S+ 0 0 10 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.828 112.1 56.2 -70.0 -33.6 -8.4 9.2 36.2 234 239 A E H X S+ 0 0 130 -4,-2.0 4,-0.9 -5,-0.3 -2,-0.2 0.927 111.2 44.6 -60.0 -44.5 -9.5 12.6 37.7 235 240 A R H >< S+ 0 0 164 -4,-2.7 3,-0.7 2,-0.2 -2,-0.2 0.940 112.2 51.6 -65.6 -49.2 -7.2 14.3 35.1 236 241 A A H >< S+ 0 0 4 -4,-2.3 3,-1.3 1,-0.2 6,-0.2 0.898 110.4 47.7 -52.9 -48.8 -8.3 12.1 32.2 237 242 A K H 3< S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.667 112.1 51.2 -72.0 -17.9 -12.0 12.8 32.9 238 243 A N T << S+ 0 0 86 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.278 101.3 81.1 -97.6 8.4 -11.3 16.5 33.1 239 244 A S S < S- 0 0 20 -3,-1.3 252,-1.6 -4,-0.2 251,-0.1 -0.539 83.5-119.2-105.9 174.2 -9.4 16.6 29.8 240 245 A A S S+ 0 0 38 250,-0.2 250,-2.7 249,-0.2 189,-0.1 0.900 107.5 14.9 -77.4 -44.9 -10.5 16.7 26.2 241 246 A V S S- 0 0 9 248,-0.2 190,-2.4 189,-0.1 -5,-0.1 0.618 85.5-140.5-115.8 -13.7 -9.1 13.4 25.0 242 247 A A + 0 0 0 -6,-0.2 -6,-0.1 -7,-0.2 -5,-0.1 0.857 55.5 132.4 65.5 40.6 -8.2 11.5 28.1 243 248 A F S S- 0 0 11 2,-0.3 -187,-0.3 -7,-0.1 -1,-0.1 0.335 77.3-101.7-109.5 2.7 -4.9 10.0 26.9 244 249 A G S S+ 0 0 50 1,-0.3 2,-0.3 -12,-0.1 -8,-0.0 0.583 87.4 99.9 92.4 10.1 -2.7 10.8 30.0 245 250 A F S S- 0 0 24 -9,-0.1 2,-0.5 0, 0.0 -1,-0.3 -0.887 81.2 -98.3-121.4 159.2 -0.8 13.8 28.7 246 251 A E - 0 0 180 -2,-0.3 2,-0.3 -3,-0.1 -7,-0.0 -0.654 41.0-126.0 -75.4 122.7 -1.4 17.5 29.4 247 252 A E - 0 0 51 -2,-0.5 32,-0.2 1,-0.1 2,-0.1 -0.553 27.8-121.2 -69.5 129.9 -3.3 19.0 26.4 248 253 A S - 0 0 29 30,-2.6 33,-0.1 -2,-0.3 32,-0.1 -0.446 27.8-176.6 -76.8 142.4 -1.4 22.0 25.0 249 254 A T + 0 0 138 -2,-0.1 -1,-0.1 31,-0.1 32,-0.1 0.223 50.8 122.7-108.2 9.3 -3.0 25.5 24.8 250 255 A L - 0 0 48 30,-0.1 32,-2.8 1,-0.1 33,-0.5 -0.591 62.6-133.7 -81.9 117.4 0.2 26.7 23.0 251 256 A P > - 0 0 64 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.561 17.2-134.6 -67.1 129.0 -0.3 28.3 19.6 252 257 A A G > S+ 0 0 0 -2,-0.3 3,-0.6 1,-0.3 8,-0.1 0.758 100.8 48.8 -56.8 -29.3 2.4 26.7 17.3 253 258 A M G 3 S+ 0 0 99 1,-0.2 -1,-0.3 7,-0.0 4,-0.1 0.444 89.1 81.0 -97.4 1.0 3.5 30.0 15.8 254 259 A S G < S+ 0 0 76 -3,-1.8 2,-0.3 2,-0.1 -1,-0.2 0.438 91.9 56.2 -85.4 -1.1 3.8 32.0 19.0 255 260 A V S < S- 0 0 40 -3,-0.6 5,-0.0 -4,-0.2 0, 0.0 -0.857 97.9 -84.2-122.9 165.2 7.3 30.4 19.6 256 261 A S > - 0 0 65 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.114 37.0-110.4 -64.8 160.6 10.5 30.4 17.4 257 262 A E H > S+ 0 0 147 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.859 119.6 52.2 -56.4 -43.1 11.1 27.9 14.7 258 263 A E H > S+ 0 0 137 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.851 110.9 46.9 -66.3 -36.1 13.9 26.3 16.7 259 264 A E H > S+ 0 0 67 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.878 108.3 55.7 -72.6 -39.7 11.6 25.9 19.7 260 265 A R H X S+ 0 0 36 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.933 109.8 46.2 -57.2 -49.2 8.8 24.5 17.5 261 266 A N H X S+ 0 0 88 -4,-2.1 4,-3.6 2,-0.2 5,-0.2 0.924 111.8 51.3 -58.3 -47.6 11.2 21.7 16.2 262 267 A R H X S+ 0 0 102 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.936 110.6 48.6 -57.4 -47.1 12.4 21.0 19.8 263 268 A I H X S+ 0 0 21 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.929 115.8 43.4 -56.8 -51.0 8.7 20.7 20.9 264 269 A F H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.906 113.6 51.7 -60.9 -45.2 7.9 18.3 18.0 265 270 A Q H X S+ 0 0 49 -4,-3.6 4,-2.8 2,-0.2 5,-0.2 0.888 107.8 52.2 -61.0 -42.4 11.2 16.4 18.5 266 271 A E H X S+ 0 0 117 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.935 112.5 44.3 -58.3 -49.4 10.4 15.9 22.2 267 272 A A H X S+ 0 0 6 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.880 113.2 52.6 -64.1 -38.6 6.9 14.4 21.4 268 273 A W H < S+ 0 0 23 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.921 112.5 44.1 -60.9 -47.3 8.4 12.3 18.6 269 274 A D H < S+ 0 0 98 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.846 115.6 48.0 -67.9 -38.2 11.1 10.9 20.9 270 275 A H H < S- 0 0 80 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.939 106.6-140.0 -67.0 -44.1 8.5 10.3 23.7 271 276 A G < + 0 0 1 -4,-2.6 -59,-0.3 1,-0.2 -58,-0.1 -0.036 46.2 118.2 96.9 153.6 6.0 8.6 21.4 272 277 A G > - 0 0 2 -61,-2.9 4,-1.8 -4,-0.1 -1,-0.2 0.227 47.9-133.3 120.4 129.4 2.2 8.8 21.0 273 278 A G H > S+ 0 0 3 -219,-0.3 4,-1.8 2,-0.2 5,-0.1 0.944 107.4 40.0 -73.6 -50.2 -0.2 9.9 18.2 274 279 A F H >>S+ 0 0 5 -220,-0.3 4,-2.9 1,-0.2 5,-0.5 0.885 113.4 57.0 -66.7 -36.7 -2.6 12.0 20.2 275 280 A R H >>S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 5,-0.6 0.905 108.2 47.5 -58.0 -42.2 0.3 13.4 22.2 276 281 A F H <5S+ 0 0 1 -4,-1.8 5,-0.3 1,-0.2 4,-0.2 0.877 119.1 39.4 -65.6 -37.6 1.9 14.5 18.9 277 282 A M H <5S+ 0 0 5 -4,-1.8 7,-0.4 3,-0.1 8,-0.2 0.755 136.3 13.4 -83.8 -29.1 -1.3 16.1 17.7 278 283 A F H <5S+ 0 0 49 -4,-2.9 -30,-2.6 -5,-0.1 -3,-0.2 0.456 119.3 59.8-129.5 -10.0 -2.6 17.6 21.0 279 284 A G T <> + 0 0 27 -33,-0.5 4,-3.0 1,-0.1 3,-0.7 0.151 63.7 114.2-132.5 18.8 -4.0 24.5 17.3 284 289 A I T 34 S+ 0 0 1 -3,-0.4 37,-0.2 -7,-0.4 -1,-0.1 0.864 92.9 39.0 -58.0 -34.7 -2.7 21.6 15.0 285 290 A A T 34 S+ 0 0 30 -8,-0.2 195,-2.6 1,-0.1 196,-0.3 0.559 125.5 37.8 -90.7 -9.0 -6.4 20.8 14.2 286 291 A T T <4 S+ 0 0 77 -3,-0.7 2,-0.5 193,-0.2 -2,-0.2 0.623 105.7 62.1-118.8 -25.1 -7.6 24.4 14.0 287 292 A D X - 0 0 59 -4,-3.0 4,-2.7 1,-0.1 5,-0.2 -0.943 62.4-149.3-117.4 126.5 -4.8 26.4 12.4 288 293 A E H > S+ 0 0 122 -2,-0.5 4,-2.3 1,-0.2 -1,-0.1 0.865 101.4 47.6 -58.4 -42.1 -3.5 25.9 8.8 289 294 A A H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 112.1 49.3 -66.2 -44.3 0.0 27.0 9.6 290 295 A A H > S+ 0 0 0 -7,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.914 111.9 49.1 -59.5 -44.7 0.2 24.9 12.8 291 296 A N H X S+ 0 0 5 -4,-2.7 4,-3.5 -8,-0.3 -2,-0.2 0.928 110.2 50.4 -63.5 -46.3 -1.0 21.8 10.8 292 297 A E H X S+ 0 0 107 -4,-2.3 4,-3.5 2,-0.2 5,-0.3 0.900 108.0 53.9 -56.0 -43.0 1.5 22.4 8.1 293 298 A A H X S+ 0 0 19 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.933 115.2 40.0 -58.8 -46.4 4.3 22.7 10.8 294 299 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.947 117.1 49.1 -64.0 -52.9 3.2 19.3 12.2 295 300 A A H X S+ 0 0 0 -4,-3.5 4,-2.4 1,-0.2 -2,-0.2 0.936 113.2 45.8 -54.1 -51.2 2.7 17.7 8.8 296 301 A S H X S+ 0 0 51 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.843 107.5 57.6 -69.3 -31.3 6.0 18.9 7.4 297 302 A F H X S+ 0 0 18 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.906 110.0 45.1 -56.7 -45.3 7.9 17.8 10.5 298 303 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.932 111.0 53.4 -65.2 -45.3 6.6 14.2 9.9 299 304 A R H X S+ 0 0 51 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.903 107.4 51.2 -55.4 -43.9 7.4 14.4 6.2 300 305 A A H X S+ 0 0 60 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.861 108.3 52.6 -62.7 -36.0 11.0 15.4 7.1 301 306 A K H X S+ 0 0 20 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.905 107.7 50.9 -64.4 -42.0 11.2 12.3 9.4 302 307 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.927 111.2 48.3 -59.7 -47.3 10.0 10.0 6.6 303 308 A A H < S+ 0 0 56 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.794 114.1 46.6 -62.9 -33.8 12.7 11.4 4.3 304 309 A E H < S+ 0 0 134 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.892 116.1 44.0 -77.5 -40.2 15.3 11.0 6.9 305 310 A I H < S+ 0 0 30 -4,-2.8 2,-0.6 -5,-0.1 -2,-0.2 0.922 103.5 66.7 -71.6 -48.1 14.3 7.4 7.9 306 311 A I < - 0 0 3 -4,-2.7 6,-0.1 -5,-0.2 -1,-0.1 -0.693 66.5-164.5 -84.2 116.5 13.8 6.0 4.4 307 312 A E + 0 0 159 -2,-0.6 -1,-0.2 26,-0.1 29,-0.1 0.955 69.4 69.7 -66.2 -57.3 17.2 5.8 2.6 308 313 A D S > S- 0 0 87 1,-0.2 4,-3.0 27,-0.1 5,-0.2 -0.533 71.5-150.6 -71.2 119.0 16.1 5.3 -1.1 309 314 A P H > S+ 0 0 104 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.642 97.4 54.1 -65.9 -17.0 14.4 8.5 -2.3 310 315 A E H > S+ 0 0 90 2,-0.2 4,-1.3 3,-0.1 5,-0.1 0.866 111.4 43.6 -80.5 -41.5 12.2 6.5 -4.7 311 316 A T H > S+ 0 0 27 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.919 114.6 52.3 -61.9 -45.0 11.0 4.4 -1.8 312 317 A A H X S+ 0 0 7 -4,-3.0 4,-0.6 1,-0.2 -2,-0.2 0.859 105.0 54.8 -59.6 -40.7 10.6 7.6 0.3 313 318 A R H < S+ 0 0 105 -4,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.863 107.6 49.6 -62.2 -38.7 8.5 9.3 -2.4 314 319 A K H < S+ 0 0 53 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.790 115.5 42.3 -70.4 -31.9 6.0 6.4 -2.5 315 320 A L H < S+ 0 0 1 -4,-1.3 -1,-0.2 -3,-0.1 -2,-0.2 0.422 84.3 124.5 -94.2 -0.0 5.5 6.4 1.3 316 321 A M < - 0 0 37 -4,-0.6 2,-0.1 -3,-0.5 -108,-0.1 -0.476 57.2-136.7 -72.8 115.7 5.4 10.2 1.7 317 322 A P - 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