==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOCHROME 13-OCT-99 1QN2 . COMPND 2 MOLECULE: CYTOCHROME CH; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOBACTERIUM EXTORQUENS; . AUTHOR J.READ,R.GILL,S.L.DALES,J.B.COOPER,S.P.WOOD,C.ANTHONY . 295 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 4 2 1 3 0 3 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A E 0 0 220 0, 0.0 2,-0.4 0, 0.0 90,-0.1 0.000 360.0 360.0 360.0-155.0 -18.7 -33.4 1.6 2 2 A G - 0 0 19 88,-0.1 2,-0.5 89,-0.1 89,-0.1 -0.738 360.0-155.7 -89.5 134.6 -16.4 -30.8 -0.2 3 3 A D > - 0 0 84 -2,-0.4 4,-2.4 1,-0.1 92,-0.2 -0.945 10.8-155.5-116.9 116.8 -14.5 -32.1 -3.2 4 4 A A H > S+ 0 0 33 -2,-0.5 4,-2.4 90,-0.2 5,-0.2 0.843 94.0 55.9 -53.6 -41.3 -11.3 -30.4 -4.2 5 5 A A H > S+ 0 0 70 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.951 110.6 43.0 -60.5 -49.7 -11.5 -31.6 -7.8 6 6 A A H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 113.3 55.3 -63.6 -36.6 -15.0 -30.1 -8.3 7 7 A G H X S+ 0 0 0 -4,-2.4 4,-1.2 84,-0.3 -2,-0.2 0.862 101.1 56.2 -63.1 -37.4 -13.8 -27.0 -6.5 8 8 A E H < S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 111.0 45.5 -62.5 -35.7 -10.9 -26.6 -8.9 9 9 A K H >< S+ 0 0 170 -4,-1.4 3,-1.1 1,-0.2 -2,-0.2 0.885 111.9 50.4 -73.7 -39.0 -13.4 -26.5 -11.7 10 10 A A H 3< S+ 0 0 10 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.610 94.4 75.7 -74.5 -12.1 -15.8 -24.1 -9.9 11 11 A F T >X + 0 0 8 -4,-1.2 4,-1.2 1,-0.2 3,-0.9 0.593 64.9 102.2 -76.2 -9.0 -12.9 -21.7 -9.2 12 12 A A G X4 S+ 0 0 54 -3,-1.1 3,-1.0 1,-0.3 4,-0.5 0.873 77.5 49.7 -42.5 -54.4 -12.9 -20.5 -12.8 13 13 A P G >4 S+ 0 0 68 0, 0.0 3,-1.0 0, 0.0 -1,-0.3 0.875 107.0 57.4 -58.6 -34.9 -14.7 -17.2 -12.1 14 14 A C G X> S+ 0 0 26 -3,-0.9 4,-1.9 -4,-0.3 3,-1.6 0.750 87.3 76.9 -66.6 -27.0 -12.3 -16.4 -9.3 15 15 A K G << S+ 0 0 139 -4,-1.2 -1,-0.2 -3,-1.0 -3,-0.1 0.793 78.5 73.7 -55.5 -31.0 -9.3 -16.7 -11.6 16 16 A A G <4 S+ 0 0 83 -3,-1.0 9,-0.3 -4,-0.5 -1,-0.3 0.838 119.7 10.5 -54.5 -35.2 -10.1 -13.3 -13.1 17 17 A C T <4 S+ 0 0 54 -3,-1.6 9,-1.5 -4,-0.3 7,-0.4 0.446 122.3 62.8-125.4 -1.5 -8.9 -11.6 -9.9 18 18 A H < + 0 0 34 -4,-1.9 2,-0.2 7,-0.1 10,-0.1 -0.972 41.7 156.3-135.9 151.9 -7.2 -14.3 -7.8 19 19 A N - 0 0 55 -2,-0.4 10,-2.0 3,-0.3 11,-0.3 -0.850 43.2-117.4-149.0 173.6 -4.2 -16.6 -8.0 20 20 A F S S+ 0 0 34 -2,-0.2 3,-0.1 8,-0.2 8,-0.1 0.319 103.7 45.4-108.7 13.9 -2.0 -18.4 -5.4 21 21 A E S S+ 0 0 84 1,-0.3 2,-0.3 9,-0.0 7,-0.1 0.631 112.3 15.8-124.0 -27.5 1.3 -16.8 -6.2 22 22 A K S S- 0 0 110 5,-0.1 -3,-0.3 0, 0.0 -1,-0.3 -0.988 70.1-103.1-150.8 162.2 0.8 -13.0 -6.5 23 23 A N + 0 0 37 -2,-0.3 2,-0.1 19,-0.1 -5,-0.1 -0.579 47.1 147.5 -80.7 141.5 -1.5 -10.1 -5.9 24 24 A G S S- 0 0 23 2,-3.1 -7,-0.1 -7,-0.4 128,-0.1 -0.282 76.0 -27.5-141.5-130.4 -3.4 -8.7 -8.9 25 25 A V S S+ 0 0 74 -9,-0.3 -8,-0.1 -2,-0.1 -7,-0.1 0.936 142.0 28.3 -57.9 -40.7 -6.9 -7.1 -9.0 26 26 A G S S- 0 0 5 -9,-1.5 -2,-3.1 1,-0.1 -7,-0.1 -0.671 102.5 -91.3-112.5 165.7 -7.5 -9.3 -6.0 27 27 A P - 0 0 17 0, 0.0 -8,-0.3 0, 0.0 2,-0.1 -0.318 47.8 -90.8 -77.2 165.5 -5.1 -10.6 -3.3 28 28 A T - 0 0 13 13,-0.2 -8,-0.2 -10,-0.1 -5,-0.1 -0.522 29.6-148.0 -71.1 144.5 -3.3 -13.9 -3.5 29 29 A L > + 0 0 25 -10,-2.0 3,-1.9 -7,-0.1 4,-0.3 0.188 47.3 139.7 -98.1 13.0 -5.4 -16.6 -1.8 30 30 A K T 3 S- 0 0 158 -11,-0.3 11,-0.2 1,-0.3 -2,-0.1 -0.400 82.7 -6.0 -61.8 126.6 -2.4 -18.6 -0.6 31 31 A G T 3 S+ 0 0 49 68,-2.4 -1,-0.3 65,-0.3 66,-0.1 0.777 89.3 140.5 60.8 29.8 -3.1 -19.9 2.9 32 32 A V X + 0 0 24 -3,-1.9 3,-2.0 67,-0.3 2,-0.5 0.798 38.2 97.6 -74.2 -27.2 -6.4 -17.9 3.1 33 33 A V T 3 S+ 0 0 39 -4,-0.3 25,-0.2 63,-0.3 3,-0.1 -0.472 101.2 3.3 -68.8 119.0 -8.2 -20.7 4.9 34 34 A G T 3 S+ 0 0 48 23,-2.5 -1,-0.3 -2,-0.5 24,-0.2 0.465 104.1 126.5 88.9 1.1 -8.3 -20.0 8.6 35 35 A A S < S- 0 0 36 -3,-2.0 22,-3.2 22,-0.3 -1,-0.3 -0.483 70.8 -96.6 -89.8 164.5 -6.4 -16.7 8.2 36 36 A K B >> -A 56 0A 85 20,-0.2 3,-1.0 -2,-0.1 4,-0.5 -0.639 49.3-108.5 -77.9 134.1 -7.6 -13.3 9.5 37 37 A A T 34 S+ 0 0 1 18,-2.6 17,-0.3 -2,-0.3 -1,-0.1 -0.340 90.3 2.9 -68.9 144.1 -9.5 -11.4 6.8 38 38 A G T 34 S+ 0 0 6 1,-0.1 -1,-0.2 -2,-0.1 8,-0.2 0.690 106.6 93.9 56.9 27.6 -8.0 -8.3 5.2 39 39 A E T <4 S+ 0 0 62 -3,-1.0 4,-0.2 11,-0.0 -2,-0.1 0.632 82.3 27.8-117.7 -26.0 -4.7 -8.6 7.0 40 40 A G X + 0 0 37 -4,-0.5 4,-1.4 2,-0.1 3,-0.1 0.322 48.5 119.7-109.3-122.7 -2.3 -10.6 4.8 41 41 A A T 4 S- 0 0 23 -11,-0.2 3,-0.3 1,-0.2 -13,-0.2 0.937 106.0 -67.1 58.1 47.1 -1.8 -11.2 1.1 42 42 A D T 4 S- 0 0 133 1,-0.2 -1,-0.2 -15,-0.1 -19,-0.1 0.900 104.6 -41.6 39.5 60.7 1.7 -9.8 1.2 43 43 A G T 4 S+ 0 0 74 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.844 84.6 175.2 63.8 34.3 0.5 -6.2 1.9 44 44 A Y < - 0 0 31 -4,-1.4 2,-1.4 -3,-0.3 -1,-0.2 -0.495 39.8-112.3 -71.4 150.3 -2.5 -6.2 -0.5 45 45 A A - 0 0 38 -2,-0.1 -1,-0.1 102,-0.1 2,-0.1 -0.673 42.9-170.8 -85.5 87.0 -4.5 -2.9 -0.2 46 46 A F - 0 0 34 -2,-1.4 30,-0.0 -8,-0.2 -20,-0.0 -0.340 27.7-100.0 -76.5 157.8 -7.8 -4.2 1.4 47 47 A S > - 0 0 20 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.281 32.0-113.5 -68.6 162.8 -10.9 -2.1 1.7 48 48 A D H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.904 115.5 60.3 -65.6 -35.5 -11.5 -0.6 5.2 49 49 A A H > S+ 0 0 31 26,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.934 109.1 38.5 -56.9 -51.2 -14.6 -2.8 5.4 50 50 A L H >> S+ 0 0 14 1,-0.2 3,-1.1 25,-0.2 4,-0.5 0.954 115.4 52.0 -69.2 -46.2 -12.8 -6.1 5.1 51 51 A K H 3< S+ 0 0 70 -4,-2.0 3,-0.4 1,-0.3 -1,-0.2 0.869 115.3 41.5 -59.8 -31.7 -9.8 -5.1 7.2 52 52 A K H 3< S+ 0 0 127 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.511 88.8 93.5 -92.9 -2.0 -12.0 -3.9 10.1 53 53 A S H << S- 0 0 40 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.813 76.4-149.5 -58.3 -32.6 -14.4 -6.9 9.8 54 54 A G < + 0 0 54 -4,-0.5 -1,-0.1 -3,-0.4 -3,-0.1 0.625 42.5 152.8 71.1 11.3 -12.4 -8.8 12.4 55 55 A L - 0 0 32 -5,-0.4 -18,-2.6 -18,-0.1 2,-0.5 -0.363 40.6-145.0 -78.3 154.1 -13.4 -12.0 10.6 56 56 A T B -A 36 0A 68 -20,-0.2 2,-3.2 -3,-0.1 5,-0.3 -0.986 23.8-123.4-115.6 124.8 -11.5 -15.3 10.5 57 57 A W + 0 0 14 -22,-3.2 -23,-2.5 -2,-0.5 -22,-0.3 -0.271 55.7 148.3 -68.0 59.9 -11.7 -17.2 7.3 58 58 A D > - 0 0 60 -2,-3.2 4,-2.4 -25,-0.2 5,-0.2 -0.288 66.9 -92.7 -81.9-179.3 -13.1 -20.4 8.8 59 59 A Q H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.884 125.0 53.8 -61.3 -40.3 -15.5 -22.7 6.8 60 60 A A H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.942 112.8 40.6 -60.2 -51.9 -18.5 -20.9 8.2 61 61 A D H > S+ 0 0 31 -5,-0.3 4,-2.9 1,-0.2 5,-0.2 0.909 114.2 52.5 -67.6 -39.9 -17.4 -17.4 7.3 62 62 A L H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.896 106.1 56.3 -62.2 -35.6 -16.1 -18.4 3.9 63 63 A K H X S+ 0 0 97 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.963 112.3 39.9 -60.3 -49.8 -19.4 -20.1 3.1 64 64 A Q H X S+ 0 0 108 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.937 114.5 54.5 -64.9 -44.3 -21.3 -16.9 3.8 65 65 A W H < S+ 0 0 23 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.888 110.5 44.3 -56.1 -46.2 -18.7 -14.7 2.0 66 66 A L H < S+ 0 0 20 -4,-2.8 17,-2.9 -5,-0.2 -1,-0.2 0.846 108.8 57.1 -73.4 -29.4 -18.8 -16.7 -1.2 67 67 A A H < S- 0 0 42 -4,-1.7 -1,-0.2 15,-0.3 -2,-0.2 0.882 136.1 -9.2 -68.3 -34.0 -22.6 -16.9 -1.3 68 68 A D X - 0 0 56 -4,-1.8 4,-1.5 -5,-0.1 3,-0.4 -0.552 63.8-171.0-166.8 92.0 -22.9 -13.1 -1.2 69 69 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.900 86.1 49.2 -53.5 -53.6 -19.7 -11.0 -0.5 70 70 A K H 4 S+ 0 0 154 10,-0.4 6,-0.1 1,-0.2 5,-0.1 0.770 110.0 51.2 -64.7 -25.2 -21.4 -7.6 -0.1 71 71 A K H 4 S+ 0 0 166 -3,-0.4 -1,-0.2 2,-0.2 -6,-0.1 0.844 113.5 44.9 -80.5 -29.1 -24.0 -8.9 2.3 72 72 A K H < S+ 0 0 50 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.1 0.873 133.7 16.9 -77.1 -39.2 -21.3 -10.5 4.5 73 73 A V S >< S- 0 0 8 -4,-2.6 3,-2.2 -5,-0.2 -1,-0.3 -0.656 81.9-150.4-136.4 80.3 -19.1 -7.4 4.4 74 74 A P T 3 S+ 0 0 96 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.268 85.1 26.1 -52.9 130.4 -21.0 -4.4 3.2 75 75 A G T 3 S+ 0 0 61 1,-0.3 -26,-0.3 -5,-0.1 -25,-0.2 0.431 82.2 148.3 95.6 1.5 -18.5 -2.1 1.4 76 76 A T < - 0 0 24 -3,-2.2 -1,-0.3 -7,-0.1 -6,-0.0 -0.305 48.9-136.8 -65.8 153.4 -16.0 -4.8 0.3 77 77 A K S S+ 0 0 80 2,-0.1 2,-1.3 1,-0.0 -1,-0.1 0.414 72.7 112.0 -91.6 6.8 -14.2 -4.0 -3.0 78 78 A M - 0 0 50 1,-0.1 2,-1.2 2,-0.1 -8,-0.1 -0.674 56.9-159.5 -80.7 100.6 -14.7 -7.6 -4.1 79 79 A V + 0 0 146 -2,-1.3 -2,-0.1 -10,-0.1 -1,-0.1 -0.722 42.4 121.8 -84.8 96.6 -17.2 -7.1 -7.0 80 80 A F - 0 0 57 -2,-1.2 -10,-0.4 1,-0.1 3,-0.1 -0.913 60.4-136.0-159.2 128.8 -18.7 -10.5 -7.4 81 81 A P - 0 0 114 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.743 51.8-120.5 -59.6 -29.2 -22.4 -11.6 -7.2 82 82 A G - 0 0 17 -14,-0.2 2,-0.6 -13,-0.1 -15,-0.3 -0.243 24.9 -76.8 105.4 159.9 -21.6 -14.7 -5.1 83 83 A I - 0 0 21 -17,-2.9 6,-0.1 1,-0.1 -3,-0.0 -0.905 33.4-168.4-102.3 116.9 -22.2 -18.4 -5.6 84 84 A S + 0 0 121 -2,-0.6 -1,-0.1 1,-0.1 -17,-0.1 0.504 66.7 85.6 -80.6 -8.7 -25.8 -19.4 -5.0 85 85 A D > - 0 0 77 1,-0.2 4,-2.0 2,-0.0 3,-0.3 -0.860 63.2-161.4-100.9 107.2 -25.1 -23.2 -5.1 86 86 A P H > S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.831 90.8 54.1 -54.2 -40.0 -24.1 -24.2 -1.5 87 87 A K H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.904 108.1 50.6 -63.3 -41.3 -22.5 -27.5 -2.8 88 88 A K H > S+ 0 0 94 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.909 108.3 52.6 -63.0 -40.4 -20.4 -25.5 -5.2 89 89 A V H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.923 109.0 49.0 -60.6 -44.1 -19.3 -23.2 -2.4 90 90 A D H X S+ 0 0 47 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.905 109.9 52.4 -61.7 -42.7 -18.2 -26.2 -0.3 91 91 A D H X S+ 0 0 29 -4,-2.4 4,-2.2 1,-0.2 -84,-0.3 0.919 108.3 50.6 -59.8 -45.3 -16.3 -27.6 -3.3 92 92 A I H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.931 109.5 50.9 -60.0 -42.4 -14.5 -24.3 -3.7 93 93 A I H X S+ 0 0 9 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.898 107.0 53.0 -64.5 -36.1 -13.6 -24.3 -0.1 94 94 A A H X S+ 0 0 18 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.928 110.5 49.7 -64.0 -36.5 -12.2 -27.8 -0.3 95 95 A Y H >X S+ 0 0 29 -4,-2.2 3,-0.9 -92,-0.2 4,-0.5 0.940 107.0 53.0 -65.8 -44.7 -10.1 -26.5 -3.2 96 96 A L H >< S+ 0 0 10 -4,-2.5 3,-1.3 1,-0.3 -63,-0.3 0.843 101.4 60.8 -59.4 -36.4 -8.8 -23.5 -1.3 97 97 A K H 3< S+ 0 0 114 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.836 97.1 59.8 -62.5 -30.2 -7.6 -25.8 1.6 98 98 A T H << 0 0 87 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.706 360.0 360.0 -70.8 -18.6 -5.3 -27.5 -0.9 99 99 A K << 0 0 98 -3,-1.3 -68,-2.4 -4,-0.5 -67,-0.3 -0.551 360.0 360.0 -93.4 360.0 -3.6 -24.2 -1.5 100 !* 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 0.0 101 2 B G 0 0 85 0, 0.0 2,-0.7 0, 0.0 89,-0.2 0.000 360.0 360.0 360.0 165.8 22.4 3.5 -24.7 102 3 B D > - 0 0 79 84,-0.3 4,-2.5 1,-0.2 3,-0.3 -0.864 360.0-164.7-106.1 105.8 24.8 6.2 -23.5 103 4 B A H > S+ 0 0 34 -2,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.776 88.5 56.0 -55.9 -32.5 24.7 6.5 -19.7 104 5 B A H > S+ 0 0 67 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.924 112.5 40.0 -68.7 -44.1 26.5 9.9 -19.8 105 6 B A H > S+ 0 0 37 -3,-0.3 4,-2.3 1,-0.2 3,-0.3 0.860 109.2 62.9 -72.8 -31.7 23.9 11.5 -22.1 106 7 B G H X S+ 0 0 0 -4,-2.5 4,-1.0 84,-0.3 -1,-0.2 0.848 94.9 60.3 -60.9 -34.7 21.2 9.7 -20.2 107 8 B E H < S+ 0 0 116 -4,-1.3 3,-0.4 1,-0.2 -1,-0.2 0.936 110.7 41.1 -59.5 -40.7 22.1 11.7 -17.1 108 9 B K H >< S+ 0 0 178 -4,-0.9 3,-1.4 -3,-0.3 -2,-0.2 0.866 111.1 55.2 -73.2 -38.1 21.4 14.9 -19.0 109 10 B A H 3< S+ 0 0 19 -4,-2.3 -1,-0.2 1,-0.3 4,-0.2 0.582 95.3 70.4 -71.0 -11.2 18.2 13.5 -20.7 110 11 B F T >X + 0 0 6 -4,-1.0 4,-1.3 -3,-0.4 3,-0.8 0.450 68.3 104.9 -84.0 -4.0 16.9 12.7 -17.2 111 12 B A H X> S+ 0 0 56 -3,-1.4 3,-1.1 1,-0.3 4,-0.6 0.905 77.1 48.2 -44.2 -58.5 16.5 16.4 -16.5 112 13 B P H >4 S+ 0 0 75 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.854 108.4 57.3 -55.2 -32.7 12.7 16.4 -16.9 113 14 B C H X> S+ 0 0 21 -3,-0.8 4,-2.1 1,-0.2 3,-1.7 0.795 90.6 73.0 -65.7 -32.7 12.5 13.4 -14.6 114 15 B K H << S+ 0 0 153 -4,-1.3 -1,-0.2 -3,-1.1 -3,-0.1 0.744 80.4 72.4 -54.4 -31.3 14.3 15.3 -11.8 115 16 B A T << S+ 0 0 84 -3,-0.8 9,-0.3 -4,-0.6 -1,-0.3 0.857 120.8 11.0 -58.3 -33.4 11.3 17.4 -11.1 116 17 B C T <4 S+ 0 0 50 -3,-1.7 9,-2.1 -4,-0.3 2,-0.4 0.515 123.7 59.6-123.8 -6.0 9.6 14.4 -9.5 117 18 B H < + 0 0 26 -4,-2.1 2,-0.2 7,-0.1 10,-0.1 -0.965 43.2 154.2-133.3 150.3 12.3 11.8 -9.1 118 19 B N - 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0 0 42 -3,-1.2 2,-1.6 -4,-0.4 -1,-0.2 -0.181 43.1-111.9 -48.7 141.7 5.7 5.5 -1.4 144 45 B A - 0 0 68 -4,-0.1 -1,-0.2 0, 0.0 2,-0.1 -0.584 41.6-169.6 -81.6 85.7 1.9 5.7 -2.1 145 46 B F - 0 0 30 -2,-1.6 30,-0.0 -8,-0.1 -20,-0.0 -0.350 28.5 -97.4 -73.2 156.4 1.7 4.2 -5.6 146 47 B S > - 0 0 16 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.316 28.3-116.8 -70.0 158.3 -1.6 4.4 -7.5 147 48 B D H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.915 115.3 58.9 -58.8 -42.6 -3.9 1.4 -7.5 148 49 B A H > S+ 0 0 27 26,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.919 108.3 41.8 -53.1 -54.0 -3.3 1.1 -11.2 149 50 B L H >4 S+ 0 0 14 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.941 113.1 54.1 -62.9 -45.3 0.4 0.7 -11.0 150 51 B K H 3< S+ 0 0 82 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.819 112.7 43.3 -58.6 -32.1 0.1 -1.7 -8.0 151 52 B K H 3< S+ 0 0 78 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.583 90.3 90.4 -91.6 -7.9 -2.3 -3.9 -9.9 152 53 B S S << S- 0 0 36 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.773 74.8-151.1 -56.4 -34.4 -0.2 -3.8 -13.1 153 54 B G + 0 0 49 -4,-0.5 2,-0.2 -3,-0.4 -1,-0.1 0.725 42.0 154.9 65.9 21.1 1.9 -6.8 -12.2 154 55 B L - 0 0 31 -5,-0.4 -18,-3.3 -18,-0.1 2,-0.4 -0.496 38.1-148.4 -85.8 150.6 4.7 -5.3 -14.3 155 56 B T B -B 135 0B 57 -20,-0.3 2,-2.4 -2,-0.2 -20,-0.2 -0.973 20.8-126.9-116.7 127.2 8.4 -5.8 -13.9 156 57 B W + 0 0 13 -22,-3.2 -23,-2.6 -2,-0.4 -22,-0.4 -0.306 53.7 143.7 -72.3 60.4 10.7 -3.0 -14.8 157 58 B D > - 0 0 69 -2,-2.4 4,-2.4 -25,-0.2 5,-0.2 -0.318 68.7 -88.5 -87.2-176.4 13.1 -4.7 -17.2 158 59 B Q H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.883 125.2 49.4 -57.1 -44.5 14.5 -2.9 -20.3 159 60 B A H > S+ 0 0 60 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.905 114.6 42.5 -65.4 -43.9 11.6 -3.7 -22.6 160 61 B D H > S+ 0 0 37 -5,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.869 112.1 54.4 -72.3 -34.4 8.8 -2.6 -20.2 161 62 B L H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.852 104.1 56.7 -65.1 -35.3 10.7 0.5 -19.1 162 63 B K H X S+ 0 0 87 -4,-1.6 4,-1.0 -5,-0.2 -1,-0.2 0.842 110.0 43.0 -65.0 -38.3 11.0 1.5 -22.8 163 64 B Q H X S+ 0 0 113 -4,-1.1 4,-2.0 2,-0.2 8,-0.2 0.875 111.8 55.7 -76.2 -36.6 7.2 1.4 -23.3 164 65 B W H < S+ 0 0 24 -4,-2.1 -2,-0.2 1,-0.2 7,-0.2 0.946 110.9 43.1 -58.1 -51.5 6.6 3.1 -20.0 165 66 B L H < S+ 0 0 16 -4,-2.4 17,-3.5 1,-0.2 -1,-0.2 0.743 108.9 59.2 -68.3 -25.3 8.8 6.1 -20.9 166 67 B A H < S- 0 0 48 -4,-1.0 -1,-0.2 15,-0.3 -2,-0.2 0.923 135.8 -14.4 -70.0 -42.1 7.3 6.2 -24.4 167 68 B D >X - 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