==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 24-JAN-00 1DW3 . COMPND 2 MOLECULE: CYTOCHROME C; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR D.LEYS,K.BACKERS,T.E.MEYER,W.R.HAGEN,M.A.CUSANOVICH,J.J.VAN . 335 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 64.2 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 . 9 2.7 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 . 3 0.9 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-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 . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 1 0 0 0 3 0 1 5 0 0 0 3 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 . 0 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 ANTIPARALLEL 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 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 G 0 0 104 0, 0.0 76,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-139.7 38.4 7.4 102.1 2 2 A D + 0 0 96 74,-1.5 2,-0.3 1,-0.1 75,-0.2 0.465 360.0 22.3-105.6 -1.1 37.5 4.1 100.5 3 3 A T - 0 0 20 73,-2.0 -1,-0.1 4,-0.0 3,-0.0 -0.984 67.0-121.7-150.4 176.6 37.3 5.3 96.9 4 4 A S > - 0 0 41 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.841 34.0-113.6-114.4 162.8 38.3 7.9 94.4 5 5 A P H > S+ 0 0 43 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.887 118.4 54.3 -57.4 -40.2 35.9 10.1 92.4 6 6 A A H > S+ 0 0 68 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.940 106.0 50.7 -63.7 -43.2 37.0 8.3 89.2 7 7 A Q H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.879 112.2 47.7 -58.8 -43.6 36.3 4.9 90.7 8 8 A L H X S+ 0 0 17 -4,-2.0 4,-2.2 67,-0.2 -2,-0.2 0.952 113.7 46.4 -62.9 -52.4 32.7 6.0 91.6 9 9 A I H X S+ 0 0 23 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.911 110.9 52.5 -57.3 -44.0 32.1 7.6 88.2 10 10 A A H X S+ 0 0 50 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.911 108.1 51.2 -62.1 -36.8 33.4 4.5 86.4 11 11 A G H X S+ 0 0 45 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.962 112.3 46.5 -67.6 -41.5 31.1 2.2 88.4 12 12 A Y H X S+ 0 0 25 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.919 110.7 52.7 -63.7 -40.7 28.1 4.4 87.5 13 13 A E H X>S+ 0 0 58 -4,-3.0 4,-1.6 1,-0.2 5,-1.2 0.905 108.6 50.5 -60.0 -42.5 29.1 4.5 83.8 14 14 A A H <5S+ 0 0 81 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.906 112.7 45.7 -61.7 -41.6 29.3 0.7 83.7 15 15 A A H <5S+ 0 0 73 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.869 116.0 47.0 -70.8 -35.9 25.8 0.4 85.2 16 16 A A H <5S- 0 0 37 -4,-2.6 -1,-0.2 83,-0.2 -2,-0.2 0.696 103.1-130.8 -76.1 -25.7 24.5 3.1 82.9 17 17 A G T <5S+ 0 0 70 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.710 78.0 75.0 81.8 18.1 26.1 1.6 79.7 18 18 A A S - 0 0 62 79,-0.3 4,-1.4 1,-0.1 3,-0.2 -0.906 4.4-166.7-130.0 101.2 28.6 13.8 80.3 22 22 A A H > S+ 0 0 38 -2,-0.5 4,-2.9 2,-0.2 5,-0.2 0.829 87.4 60.5 -58.3 -30.8 29.4 16.7 82.6 23 23 A E H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.966 107.7 44.5 -67.7 -41.1 27.3 19.1 80.5 24 24 A R H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.787 112.0 54.3 -65.9 -33.9 24.2 17.0 81.1 25 25 A G H X S+ 0 0 0 -4,-1.4 4,-2.6 79,-0.3 -2,-0.2 0.940 108.8 47.7 -65.8 -46.1 25.2 16.8 84.8 26 26 A R H X S+ 0 0 120 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.952 111.7 50.3 -58.6 -45.5 25.5 20.6 85.0 27 27 A A H X S+ 0 0 53 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.913 112.7 46.3 -65.9 -41.3 22.0 21.0 83.3 28 28 A L H < S+ 0 0 34 -4,-2.0 3,-0.4 -5,-0.2 15,-0.4 0.942 111.7 51.0 -67.9 -42.7 20.3 18.5 85.7 29 29 A F H < S+ 0 0 5 -4,-2.6 15,-0.8 1,-0.2 14,-0.5 0.888 115.7 41.0 -61.5 -42.1 21.9 20.1 88.8 30 30 A L H < S+ 0 0 57 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.599 95.6 112.3 -79.8 -11.7 20.8 23.7 87.9 31 31 A S < - 0 0 31 -4,-1.0 2,-0.5 -3,-0.4 12,-0.3 -0.130 67.0-127.8 -65.1 159.1 17.3 22.5 86.7 32 32 A T - 0 0 117 10,-0.1 2,-0.3 11,-0.1 10,-0.2 -0.928 31.5-164.2-104.4 124.2 14.0 23.3 88.3 33 33 A Q - 0 0 55 8,-3.6 7,-0.1 -2,-0.5 61,-0.1 -0.825 20.9-168.8-111.7 159.1 12.1 20.1 88.9 34 34 A T S S+ 0 0 103 -2,-0.3 59,-0.1 59,-0.1 -1,-0.1 0.479 71.5 74.3-124.4 -7.9 8.4 19.6 89.7 35 35 A G S S+ 0 0 60 58,-0.2 58,-0.2 57,-0.2 -1,-0.1 0.462 90.3 57.6 -86.6 -9.6 8.0 16.0 90.6 36 36 A G S S- 0 0 26 56,-0.9 56,-0.2 1,-0.2 55,-0.2 0.047 103.5 -31.5-100.7-146.3 9.6 16.0 94.1 37 37 A K > - 0 0 74 54,-2.9 3,-1.8 3,-0.2 -1,-0.2 -0.476 53.8-127.1 -74.0 141.4 9.0 17.9 97.4 38 38 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.841 106.4 54.4 -58.0 -37.2 7.6 21.4 97.0 39 39 A D T 3 S+ 0 0 75 1,-0.2 53,-0.1 2,-0.1 -2,-0.1 0.480 107.9 50.1 -81.7 -1.3 10.3 23.0 99.1 40 40 A T < + 0 0 14 -3,-1.8 -3,-0.2 51,-0.3 -1,-0.2 -0.553 56.3 155.4-133.0 73.2 13.2 21.5 97.1 41 41 A P + 0 0 46 0, 0.0 -8,-3.6 0, 0.0 2,-0.3 0.604 68.9 19.7 -69.2 -22.6 12.7 22.3 93.4 42 42 A S S >> S- 0 0 6 -10,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.999 72.0-115.9-145.1 163.4 16.4 22.1 92.5 43 43 A C H >> S+ 0 0 34 -14,-0.5 4,-2.4 -15,-0.4 3,-0.9 0.858 117.9 60.5 -62.7 -33.6 19.8 20.8 93.7 44 44 A T H 3> S+ 0 0 36 -15,-0.8 4,-1.6 -13,-0.3 -1,-0.3 0.687 79.9 83.7 -69.5 -17.9 20.7 24.5 93.9 45 45 A T H <4 S+ 0 0 27 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.901 115.4 12.2 -55.7 -36.8 17.9 25.1 96.5 46 46 A C H << S+ 0 0 28 -3,-0.9 10,-2.5 -4,-0.5 -2,-0.2 0.814 136.6 41.8-106.0 -38.4 20.5 24.0 99.1 47 47 A H H < S- 0 0 37 -4,-2.4 6,-0.2 8,-0.2 19,-0.2 0.612 98.9-135.0 -90.0 -10.7 23.8 23.8 97.2 48 48 A G < - 0 0 18 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.1 -0.076 29.0 -79.9 78.1 170.0 23.5 27.1 95.3 49 49 A A S S+ 0 0 73 1,-0.2 2,-0.6 -5,-0.1 -1,-0.2 0.698 123.0 54.2 -84.6 -18.6 24.3 27.6 91.6 50 50 A D S > S- 0 0 78 -3,-0.2 3,-2.0 4,-0.1 -1,-0.2 -0.943 71.0-164.9-118.8 104.3 28.1 27.9 92.3 51 51 A V T 3 S+ 0 0 1 -2,-0.6 16,-2.5 1,-0.3 15,-0.8 0.528 80.7 74.1 -80.2 2.7 29.2 24.8 94.2 52 52 A T T 3 S+ 0 0 56 14,-0.2 -1,-0.3 13,-0.2 2,-0.3 0.535 91.8 69.3 -85.8 -6.9 32.5 26.4 95.3 53 53 A R S < S- 0 0 91 -3,-2.0 13,-0.5 -6,-0.2 14,-0.2 -0.713 99.4 -90.0-105.7 168.1 30.5 28.5 97.8 54 54 A A - 0 0 41 -2,-0.3 10,-0.2 11,-0.2 2,-0.1 -0.376 40.4-149.4 -71.1 150.0 28.8 27.3 100.9 55 55 A G E -A 63 0A 5 8,-2.2 8,-2.1 -4,-0.1 2,-0.3 -0.322 6.8-131.9-104.7-164.9 25.1 26.1 100.6 56 56 A Q E -A 62 0A 83 -10,-2.5 6,-0.2 6,-0.3 -8,-0.1 -0.989 9.2-126.3-153.2 138.7 22.3 26.3 103.1 57 57 A T > - 0 0 51 4,-2.4 3,-2.5 -2,-0.3 6,-0.1 -0.266 46.9 -89.4 -73.0 179.2 19.6 23.9 104.4 58 58 A R T 3 S+ 0 0 141 1,-0.3 -1,-0.1 2,-0.1 -12,-0.0 0.613 130.9 49.1 -69.8 -8.6 15.9 24.7 104.3 59 59 A T T 3 S- 0 0 113 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.325 123.2-101.6-109.6 2.5 16.4 26.2 107.8 60 60 A G S < S+ 0 0 57 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.603 70.2 144.7 91.3 10.9 19.4 28.3 106.9 61 61 A K - 0 0 143 1,-0.1 -4,-2.4 0, 0.0 -1,-0.3 -0.619 56.1-100.5 -81.8 148.3 22.2 26.2 108.4 62 62 A E E -A 56 0A 154 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.304 29.9-160.0 -68.7 137.5 25.5 26.2 106.4 63 63 A I E -A 55 0A 36 -8,-2.1 -8,-2.2 -17,-0.2 3,-0.1 -0.961 28.2-113.5-117.8 127.3 26.3 23.3 104.1 64 64 A A - 0 0 45 -2,-0.4 -11,-0.1 -10,-0.2 7,-0.1 -0.356 48.9 -82.4 -58.6 149.5 30.0 22.9 103.1 65 65 A P - 0 0 23 0, 0.0 -13,-0.2 0, 0.0 -11,-0.2 -0.069 30.1-141.7 -54.2 140.0 30.8 23.6 99.4 66 66 A L S S+ 0 0 20 -15,-0.8 -14,-0.2 -13,-0.5 46,-0.1 0.649 73.3 99.4 -77.5 -25.1 30.1 20.6 97.1 67 67 A A S >> S- 0 0 0 -16,-2.5 4,-2.5 -14,-0.2 3,-1.1 -0.542 70.3-143.0 -65.3 133.1 33.1 21.4 95.0 68 68 A P T 34 S+ 0 0 29 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.811 100.8 67.0 -61.3 -26.9 36.2 19.2 95.7 69 69 A S T 34 S+ 0 0 83 1,-0.2 -17,-0.1 2,-0.1 41,-0.0 0.839 113.6 29.7 -63.8 -33.0 38.3 22.4 95.0 70 70 A A T <4 S+ 0 0 47 -3,-1.1 -1,-0.2 1,-0.2 -18,-0.1 0.714 132.8 32.9 -93.3 -36.4 36.8 24.0 98.2 71 71 A T S >< S- 0 0 17 -4,-2.5 3,-1.6 1,-0.1 -1,-0.2 -0.873 74.0-162.1-129.6 95.7 36.2 20.8 100.3 72 72 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.771 78.9 57.4 -58.6 -26.5 38.8 18.2 99.5 73 73 A D T > S+ 0 0 109 2,-0.0 3,-1.0 3,-0.0 4,-0.1 0.362 74.4 135.6 -88.4 10.5 37.3 14.9 100.8 74 74 A R T < S+ 0 0 64 -3,-1.6 -8,-0.0 1,-0.2 -7,-0.0 -0.280 72.4 6.2 -57.1 142.3 34.2 15.2 98.6 75 75 A F T 3 S+ 0 0 21 2,-0.1 -1,-0.2 1,-0.1 -67,-0.2 0.858 93.5 113.6 57.2 40.7 33.2 11.9 96.7 76 76 A T < + 0 0 35 -3,-1.0 -73,-2.0 1,-0.2 -74,-1.5 0.392 62.9 64.8-122.7 12.8 35.8 9.7 98.5 77 77 A D > - 0 0 50 -76,-0.2 4,-1.6 -75,-0.2 -1,-0.2 -0.990 66.9-158.4-135.0 114.4 33.4 7.5 100.4 78 78 A S H > S+ 0 0 50 -2,-0.4 4,-1.7 1,-0.2 5,-0.1 0.868 91.1 50.1 -66.6 -41.8 31.1 5.3 98.2 79 79 A A H > S+ 0 0 67 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.900 107.9 54.2 -62.5 -42.0 28.4 4.8 100.9 80 80 A R H > S+ 0 0 154 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.891 107.4 49.7 -61.5 -38.7 28.1 8.5 101.7 81 81 A V H X S+ 0 0 14 -4,-1.6 4,-2.8 1,-0.2 5,-0.2 0.920 113.3 46.7 -65.2 -43.8 27.5 9.4 98.0 82 82 A E H X S+ 0 0 79 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.887 110.3 53.5 -67.7 -36.8 24.8 6.8 97.7 83 83 A K H X S+ 0 0 135 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.953 115.8 37.5 -61.3 -48.5 23.2 7.9 101.0 84 84 A W H X S+ 0 0 117 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.894 116.5 52.0 -74.4 -34.4 22.9 11.6 99.9 85 85 A L H X S+ 0 0 29 -4,-2.8 4,-2.6 -5,-0.2 5,-0.4 0.914 108.9 52.0 -66.9 -38.5 22.1 10.8 96.3 86 86 A G H X S+ 0 0 24 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.954 118.1 36.1 -60.5 -53.1 19.3 8.5 97.4 87 87 A R H X S+ 0 0 173 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.922 121.1 45.0 -64.0 -49.7 17.7 11.2 99.7 88 88 A N H X S+ 0 0 58 -4,-3.2 4,-2.1 2,-0.2 5,-0.2 0.844 110.8 50.7 -72.0 -37.4 18.4 14.2 97.5 89 89 A a H X>S+ 0 0 7 -4,-2.6 4,-2.4 -5,-0.2 5,-1.1 0.904 112.4 49.5 -63.1 -44.3 17.3 12.8 94.2 90 90 A N H X5S+ 0 0 66 -4,-1.4 4,-0.9 -5,-0.4 -2,-0.2 0.910 112.5 46.9 -62.5 -43.8 14.1 11.7 95.8 91 91 A S H <5S+ 0 0 27 -4,-2.1 -54,-2.9 -55,-0.2 -51,-0.3 0.843 124.2 31.1 -63.9 -42.5 13.4 15.1 97.4 92 92 A V H <5S+ 0 0 14 -4,-2.1 -56,-0.9 -56,-0.2 -57,-0.2 0.951 134.9 21.6 -82.1 -53.1 14.2 17.1 94.2 93 93 A I H <5S- 0 0 18 -4,-2.4 -58,-0.2 2,-0.3 -3,-0.2 0.697 97.1-122.3 -89.1 -28.0 13.2 14.8 91.3 94 94 A G S < - 0 0 63 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.333 26.4-105.2 -76.8 166.8 19.5 6.6 87.4 99 99 A P H > S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 -83,-0.2 0.903 122.9 54.9 -62.8 -31.8 23.1 5.5 87.2 100 100 A G H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 -79,-0.3 0.900 108.8 46.9 -69.0 -40.6 23.5 7.6 84.1 101 101 A E H > S+ 0 0 33 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.897 111.8 51.3 -64.6 -41.3 22.3 10.7 86.0 102 102 A K H X S+ 0 0 27 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.959 110.8 48.0 -63.9 -43.9 24.7 9.9 88.9 103 103 A A H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.920 114.7 46.0 -61.0 -49.6 27.6 9.5 86.6 104 104 A D H X S+ 0 0 9 -4,-2.3 4,-1.6 2,-0.2 -79,-0.3 0.906 113.5 48.6 -61.9 -44.0 26.8 12.8 84.8 105 105 A L H X S+ 0 0 7 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.935 115.1 43.4 -61.9 -48.6 26.2 14.7 88.1 106 106 A L H X S+ 0 0 5 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.868 108.6 58.1 -69.8 -35.6 29.5 13.5 89.7 107 107 A A H X S+ 0 0 22 -4,-2.5 4,-0.6 -5,-0.3 -1,-0.2 0.883 113.6 40.1 -58.5 -36.2 31.5 14.1 86.6 108 108 A W H >< S+ 0 0 29 -4,-1.6 3,-0.9 2,-0.2 -2,-0.2 0.948 119.0 45.1 -75.5 -47.4 30.4 17.7 86.7 109 109 A L H >< S+ 0 0 10 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.890 106.6 59.8 -66.8 -35.9 30.7 18.1 90.4 110 110 A A H 3< S+ 0 0 30 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.744 103.0 52.8 -65.9 -23.1 34.1 16.4 90.6 111 111 A A T << 0 0 79 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.308 360.0 360.0 -90.4 3.2 35.7 18.9 88.3 112 112 A Q < 0 0 66 -3,-1.7 -1,-0.2 -4,-0.2 -45,-0.1 0.451 360.0 360.0 -88.7 360.0 34.6 22.0 90.3 113 !* 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 0.0 114 2 B D 0 0 141 0, 0.0 2,-0.3 0, 0.0 75,-0.2 0.000 360.0 360.0 360.0 -23.8 9.3 2.8 0.5 115 3 B T - 0 0 25 73,-2.1 3,-0.1 4,-0.0 0, 0.0 -0.902 360.0-133.2-156.1-172.7 13.0 3.6 -0.3 116 4 B S >> - 0 0 37 -2,-0.3 4,-2.7 1,-0.1 3,-0.6 -0.979 36.4-100.2-150.4 161.5 16.7 2.7 0.1 117 5 B P H 3> S+ 0 0 34 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.908 120.1 51.8 -53.0 -47.6 19.9 4.5 1.0 118 6 B A H 3> S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.864 111.1 46.4 -61.4 -35.5 21.0 4.9 -2.5 119 7 B Q H <> S+ 0 0 120 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.854 112.6 50.4 -73.6 -39.3 17.7 6.5 -3.7 120 8 B L H X S+ 0 0 18 -4,-2.7 4,-2.4 67,-0.2 5,-0.2 0.928 111.1 48.5 -66.6 -40.8 17.6 8.8 -0.7 121 9 B I H X S+ 0 0 25 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.933 109.6 52.4 -62.9 -46.1 21.2 10.0 -1.3 122 10 B A H X S+ 0 0 51 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.898 110.4 48.1 -56.5 -44.1 20.5 10.6 -5.0 123 11 B G H X S+ 0 0 42 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.915 112.8 47.5 -67.1 -41.7 17.5 12.8 -4.2 124 12 B Y H X S+ 0 0 27 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.890 110.9 51.9 -65.5 -39.1 19.5 14.8 -1.6 125 13 B E H X>S+ 0 0 57 -4,-2.6 5,-1.1 -5,-0.2 4,-1.0 0.889 108.0 51.6 -62.4 -36.0 22.4 15.2 -4.1 126 14 B A H ><5S+ 0 0 83 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.926 112.9 45.1 -69.8 -40.4 20.0 16.5 -6.8 127 15 B A H 3<5S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.816 115.6 48.0 -71.8 -27.9 18.5 19.1 -4.3 128 16 B A H 3<5S- 0 0 37 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.677 101.1-133.1 -82.4 -25.4 22.0 20.0 -3.1 129 17 B G T <<5S+ 0 0 69 -4,-1.0 -3,-0.2 -3,-0.6 -4,-0.1 0.665 75.3 76.1 78.6 18.3 23.5 20.4 -6.6 130 18 B A S - 0 0 54 79,-0.3 4,-1.9 1,-0.1 3,-0.4 -0.895 8.1-167.0-121.3 106.9 30.9 13.7 0.3 134 22 B A H > S+ 0 0 39 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.841 87.5 58.4 -59.8 -37.2 31.3 11.1 3.0 135 23 B E H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 108.2 45.0 -64.2 -38.8 34.3 12.8 4.5 136 24 B R H > S+ 0 0 126 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.866 112.0 53.3 -71.4 -36.4 32.3 16.0 5.2 137 25 B G H X S+ 0 0 0 -4,-1.9 4,-2.6 79,-0.3 -2,-0.2 0.946 109.1 49.4 -65.4 -40.4 29.4 13.9 6.5 138 26 B R H X S+ 0 0 102 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.925 110.6 49.3 -60.7 -42.8 31.7 12.1 8.9 139 27 B A H X S+ 0 0 60 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.919 113.3 46.8 -65.2 -41.5 33.2 15.5 10.1 140 28 B L H >< S+ 0 0 30 -4,-2.1 3,-0.9 2,-0.2 15,-0.4 0.943 110.8 51.8 -64.5 -47.8 29.7 16.9 10.7 141 29 B F H 3< S+ 0 0 7 -4,-2.6 15,-0.7 1,-0.3 14,-0.6 0.880 117.5 38.0 -56.1 -43.3 28.4 13.8 12.5 142 30 B L H 3< S+ 0 0 25 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.503 96.5 111.0 -86.4 -9.3 31.3 13.7 14.9 143 31 B S << - 0 0 28 -3,-0.9 2,-0.5 -4,-0.7 12,-0.4 -0.239 68.2-123.3 -67.0 167.6 31.5 17.5 15.4 144 32 B T - 0 0 22 10,-0.1 2,-0.3 11,-0.1 10,-0.2 -0.894 30.9-164.4-107.3 121.7 30.7 19.6 18.4 145 33 B Q - 0 0 53 8,-3.0 3,-0.1 -2,-0.5 60,-0.1 -0.857 19.3-167.7-111.5 146.2 28.0 22.2 17.7 146 34 B T S S+ 0 0 143 -2,-0.3 59,-0.1 59,-0.1 -1,-0.1 0.482 71.3 78.5-109.8 -7.7 27.1 25.3 19.8 147 35 B G S S+ 0 0 49 57,-0.2 58,-0.2 58,-0.2 -1,-0.1 0.509 88.0 42.4 -83.7 -7.6 23.9 26.3 18.1 148 36 B G S S- 0 0 25 56,-0.9 56,-0.2 1,-0.3 55,-0.2 0.035 108.6 -16.2-113.8-142.2 21.2 24.0 19.3 149 37 B K > - 0 0 58 54,-2.4 3,-1.5 3,-0.2 -1,-0.3 -0.443 58.2-133.4 -60.0 134.7 20.2 22.4 22.7 150 38 B P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 108,-0.1 0.879 104.1 53.6 -66.6 -28.1 23.0 22.8 25.3 151 39 B D T 3 S+ 0 0 30 1,-0.2 53,-0.1 105,-0.1 -2,-0.1 0.419 106.6 52.2 -89.5 6.5 22.6 19.1 26.3 152 40 B T < + 0 0 31 -3,-1.5 -1,-0.2 51,-0.3 -3,-0.2 -0.639 59.3 155.1-132.9 75.7 22.9 17.7 22.8 153 41 B P + 0 0 10 0, 0.0 -8,-3.0 0, 0.0 2,-0.3 0.559 64.9 24.9 -81.2 -4.1 26.2 19.2 21.3 154 42 B S S > S- 0 0 2 -10,-0.2 3,-1.6 1,-0.1 4,-0.4 -0.999 73.2-117.1-151.0 162.2 26.8 16.4 18.8 155 43 B C T >> S+ 0 0 32 -14,-0.6 4,-1.8 -15,-0.4 3,-0.9 0.833 115.4 65.2 -66.4 -24.2 25.1 13.6 16.8 156 44 B T H 3> S+ 0 0 13 -15,-0.7 4,-1.7 -13,-0.3 -1,-0.3 0.722 76.3 85.5 -72.9 -15.5 27.3 11.3 18.9 157 45 B T H <4 S+ 0 0 28 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.892 113.5 11.8 -50.9 -47.6 25.4 12.3 22.1 158 46 B C H <4 S+ 0 0 40 -3,-0.9 10,-2.0 -4,-0.4 -2,-0.2 0.714 136.8 40.9-104.5 -24.4 22.9 9.6 21.3 159 47 B H H < S- 0 0 38 -4,-1.8 6,-0.2 8,-0.2 19,-0.2 0.587 96.9-134.0 -99.3 -13.0 24.4 7.5 18.5 160 48 B G < - 0 0 21 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.127 28.9 -85.1 77.8 174.6 28.0 7.3 19.7 161 49 B A S S+ 0 0 26 1,-0.2 2,-0.7 80,-0.2 -1,-0.2 0.751 120.3 60.9 -92.3 -20.2 31.0 7.8 17.4 162 50 B D > - 0 0 32 79,-0.4 3,-1.5 1,-0.1 -1,-0.2 -0.910 69.7-169.2-104.8 106.6 31.1 4.2 16.2 163 51 B V T 3 S+ 0 0 3 -2,-0.7 16,-2.3 1,-0.3 15,-0.8 0.398 78.5 73.4 -86.1 8.4 27.7 3.8 14.5 164 52 B T T 3 S+ 0 0 61 14,-0.2 2,-0.3 13,-0.2 -1,-0.3 0.414 93.8 67.8 -89.1 -5.1 28.1 0.0 14.2 165 53 B R S < S- 0 0 118 -3,-1.5 13,-0.4 -6,-0.2 14,-0.1 -0.816 99.4 -93.8-104.8 158.0 27.4 -0.1 18.0 166 54 B A - 0 0 45 -2,-0.3 10,-0.2 11,-0.2 2,-0.2 -0.261 37.0-154.0 -65.2 154.5 24.1 0.8 19.7 167 55 B G E -B 175 0B 5 8,-2.2 8,-2.0 -4,-0.1 2,-0.3 -0.298 10.0-135.4-111.6-158.5 23.6 4.3 20.9 168 56 B Q E -B 174 0B 30 -10,-2.0 6,-0.2 6,-0.3 -8,-0.1 -0.967 6.8-121.2-161.0 148.3 21.3 5.5 23.7 169 57 B T > - 0 0 50 4,-2.2 3,-1.4 -2,-0.3 6,-0.1 -0.232 50.2 -87.9 -79.9-178.7 18.8 8.2 24.6 170 58 B R T 3 S+ 0 0 57 1,-0.3 -1,-0.1 2,-0.1 90,-0.0 0.761 129.2 50.7 -57.6 -34.1 19.2 10.5 27.6 171 59 B T T 3 S- 0 0 111 2,-0.1 -1,-0.3 149,-0.0 148,-0.0 0.512 122.5-101.6 -91.3 0.2 17.5 8.0 29.9 172 60 B G < + 0 0 42 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.483 69.9 147.5 101.1 0.8 19.7 5.1 28.8 173 61 B K - 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0 0 74 -75,-0.2 4,-2.2 -4,-0.1 5,-0.2 -0.976 64.7-159.7-123.1 113.7 11.5 4.8 5.1 190 78 B S H > S+ 0 0 44 -2,-0.5 4,-1.5 1,-0.2 -1,-0.1 0.854 91.7 46.6 -65.3 -36.7 11.6 8.3 3.5 191 79 B A H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.847 111.1 52.5 -74.6 -34.2 9.2 9.9 6.0 192 80 B R H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.936 109.1 50.4 -65.7 -39.6 11.1 8.4 9.0 193 81 B V H X S+ 0 0 16 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.900 113.1 44.4 -63.5 -47.1 14.4 9.7 7.7 194 82 B E H X S+ 0 0 78 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.887 110.8 55.1 -67.4 -38.9 13.1 13.3 7.3 195 83 B K H X S+ 0 0 72 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.974 114.1 39.5 -53.1 -55.3 11.3 13.2 10.6 196 84 B W H X S+ 0 0 98 -4,-2.3 4,-3.5 1,-0.3 5,-0.4 0.916 114.9 51.4 -71.4 -36.8 14.5 12.3 12.5 197 85 B L H X S+ 0 0 30 -4,-2.3 4,-2.1 -5,-0.3 12,-0.3 0.873 111.2 49.2 -66.4 -36.3 16.8 14.5 10.5 198 86 B G H X S+ 0 0 22 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.971 117.9 39.6 -68.9 -49.8 14.4 17.4 11.1 199 87 B R H X S+ 0 0 139 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.897 120.9 43.3 -59.4 -48.3 14.3 16.8 14.9 200 88 B N H X S+ 0 0 64 -4,-3.5 4,-2.2 -5,-0.2 5,-0.4 0.844 111.0 51.2 -75.4 -34.4 18.0 15.9 15.2 201 89 B b H X>S+ 0 0 8 -4,-2.1 4,-2.2 -5,-0.4 5,-1.5 0.924 112.6 49.6 -68.0 -39.4 19.5 18.6 13.1 202 90 B N H X5S+ 0 0 66 -4,-1.7 4,-0.8 -5,-0.3 -2,-0.2 0.968 112.2 46.4 -65.6 -44.3 17.5 21.2 15.1 203 91 B S H <5S+ 0 0 38 -4,-2.5 -54,-2.4 -55,-0.2 -51,-0.3 0.866 125.6 28.7 -63.3 -45.6 18.5 19.8 18.5 204 92 B V H <5S+ 0 0 14 -4,-2.2 -56,-0.9 -56,-0.2 -57,-0.2 0.908 134.8 23.8 -83.9 -53.3 22.2 19.6 17.6 205 93 B I H <5S- 0 0 19 -4,-2.2 -3,-0.2 -5,-0.4 -58,-0.2 0.803 97.5-121.4 -87.7 -25.4 22.9 22.3 15.0 206 94 B G S < - 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