==== 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 1DW2 . 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) . 17193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 62.4 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 0 0 0 3 0 2 4 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 0 106 0, 0.0 76,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-130.2 38.4 7.4 102.2 2 2 A D + 0 0 94 74,-2.7 2,-0.3 1,-0.2 75,-0.2 0.345 360.0 22.6-128.5 2.7 37.6 4.1 100.4 3 3 A T - 0 0 20 73,-1.5 -1,-0.2 4,-0.0 3,-0.0 -0.974 67.3-121.6-153.9 175.2 37.3 5.2 96.8 4 4 A S > - 0 0 51 -2,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.870 32.1-113.4-117.0 162.2 38.2 7.9 94.3 5 5 A P H > S+ 0 0 43 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.880 117.2 54.0 -56.9 -45.4 35.8 10.1 92.3 6 6 A A H > S+ 0 0 68 2,-0.2 4,-3.4 1,-0.2 5,-0.1 0.880 108.7 48.8 -55.3 -39.3 37.0 8.4 89.0 7 7 A Q H > S+ 0 0 117 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.898 111.4 49.1 -73.8 -37.3 36.2 4.9 90.4 8 8 A L H X S+ 0 0 16 -4,-2.3 4,-2.0 67,-0.2 3,-0.3 0.965 115.3 45.1 -65.9 -49.3 32.8 6.0 91.6 9 9 A I H X S+ 0 0 21 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.968 109.2 54.3 -62.4 -49.3 32.1 7.5 88.2 10 10 A A H X S+ 0 0 52 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.873 108.6 49.6 -50.7 -33.5 33.5 4.5 86.2 11 11 A G H X S+ 0 0 43 -4,-1.6 4,-2.0 -3,-0.3 -1,-0.2 0.914 111.3 48.4 -77.8 -37.5 31.1 2.1 88.1 12 12 A Y H X S+ 0 0 24 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.895 111.2 51.4 -64.7 -40.9 28.1 4.3 87.4 13 13 A E H X>S+ 0 0 57 -4,-2.7 5,-2.0 2,-0.2 4,-1.9 0.882 110.1 48.9 -60.0 -41.8 29.2 4.5 83.7 14 14 A A H <5S+ 0 0 81 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.903 112.7 47.2 -64.8 -40.9 29.4 0.6 83.6 15 15 A A H <5S+ 0 0 74 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.872 116.6 45.0 -67.7 -37.2 25.9 0.3 85.2 16 16 A A H <5S- 0 0 41 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.762 105.5-128.4 -76.9 -28.7 24.6 2.9 82.8 17 17 A G T <5S+ 0 0 68 -4,-1.9 -3,-0.2 1,-0.2 -4,-0.1 0.752 77.2 78.8 82.9 26.1 26.3 1.4 79.8 18 18 A A S - 0 0 60 79,-0.3 4,-1.4 1,-0.1 3,-0.4 -0.894 6.5-167.2-135.7 103.6 28.6 13.7 80.2 22 22 A A H > S+ 0 0 36 -2,-0.5 4,-2.5 1,-0.2 5,-0.1 0.742 87.3 62.3 -57.9 -29.7 29.4 16.6 82.5 23 23 A E H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.942 107.7 43.8 -64.4 -43.9 27.4 19.0 80.2 24 24 A R H > S+ 0 0 119 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.823 112.1 54.6 -66.9 -33.0 24.3 16.9 81.0 25 25 A G H X S+ 0 0 0 -4,-1.4 4,-2.8 79,-0.4 -2,-0.2 0.915 107.7 48.0 -65.8 -46.0 25.3 16.8 84.7 26 26 A R H X S+ 0 0 124 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.941 111.9 51.6 -58.4 -45.0 25.5 20.6 84.9 27 27 A A H X S+ 0 0 52 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.852 111.6 45.2 -67.7 -33.5 22.1 20.9 83.2 28 28 A L H >< S+ 0 0 33 -4,-1.8 3,-0.5 2,-0.2 15,-0.3 0.939 111.7 53.0 -73.8 -39.4 20.4 18.5 85.6 29 29 A F H 3< S+ 0 0 5 -4,-2.8 15,-0.9 1,-0.3 14,-0.4 0.875 114.8 40.1 -62.1 -40.0 21.9 20.1 88.6 30 30 A L H 3< S+ 0 0 57 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.667 95.3 108.2 -82.5 -13.7 20.7 23.6 87.6 31 31 A S << - 0 0 34 -4,-0.9 2,-0.5 -3,-0.5 12,-0.3 -0.083 68.4-125.9 -70.1 163.3 17.3 22.6 86.4 32 32 A T - 0 0 112 10,-0.1 2,-0.3 11,-0.1 10,-0.2 -0.915 29.6-164.0-104.4 129.2 14.1 23.2 88.1 33 33 A Q - 0 0 56 8,-3.4 7,-0.1 -2,-0.5 60,-0.1 -0.892 20.8-169.4-115.3 156.4 12.0 20.1 88.7 34 34 A T S S+ 0 0 115 -2,-0.3 59,-0.1 59,-0.1 -1,-0.1 0.497 72.3 78.9-122.8 2.1 8.4 19.7 89.6 35 35 A G S S+ 0 0 58 57,-0.2 58,-0.2 58,-0.1 -1,-0.1 0.430 89.0 50.8 -89.8 -1.6 8.2 16.0 90.4 36 36 A G S S- 0 0 29 56,-0.9 56,-0.2 1,-0.3 55,-0.2 -0.026 105.1 -28.3-110.7-147.3 9.7 16.0 94.0 37 37 A K > - 0 0 80 54,-2.4 3,-1.1 3,-0.2 -1,-0.3 -0.333 57.0-126.0 -66.1 147.4 9.1 17.9 97.2 38 38 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.811 106.1 51.9 -64.0 -36.3 7.7 21.4 96.8 39 39 A D T 3 S+ 0 0 72 1,-0.2 53,-0.1 2,-0.1 3,-0.1 0.277 109.0 54.0 -84.9 2.3 10.4 23.2 98.8 40 40 A T < + 0 0 12 -3,-1.1 -1,-0.2 51,-0.3 -3,-0.2 -0.528 55.7 151.1-138.5 72.2 13.2 21.5 96.9 41 41 A P + 0 0 43 0, 0.0 -8,-3.4 0, 0.0 2,-0.3 0.577 69.4 22.7 -75.2 -15.9 12.7 22.2 93.2 42 42 A S S > S- 0 0 7 -10,-0.2 3,-1.6 1,-0.1 4,-0.5 -0.997 72.3-118.1-147.4 158.8 16.4 22.0 92.3 43 43 A C T >> S+ 0 0 31 -14,-0.4 4,-2.2 -15,-0.3 3,-1.2 0.890 117.1 62.1 -58.7 -37.2 19.8 20.7 93.5 44 44 A T H 3> S+ 0 0 35 -15,-0.9 4,-2.5 -13,-0.3 -1,-0.3 0.686 79.5 82.2 -67.4 -18.2 20.6 24.4 93.7 45 45 A T H <4 S+ 0 0 27 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.860 114.9 14.3 -56.7 -34.9 17.9 25.1 96.3 46 46 A C H <4 S+ 0 0 28 -3,-1.2 10,-3.1 -4,-0.5 -2,-0.2 0.785 135.9 40.2-103.7 -39.9 20.4 23.9 98.9 47 47 A H H < S- 0 0 47 -4,-2.2 19,-0.3 8,-0.3 -3,-0.2 0.523 100.1-134.5 -86.1 -5.9 23.8 23.8 97.2 48 48 A G < - 0 0 16 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 0.072 29.5 -78.8 79.0 170.1 23.4 27.1 95.2 49 49 A A S S+ 0 0 77 1,-0.2 2,-0.6 -5,-0.1 -1,-0.2 0.695 122.7 56.2 -91.4 -4.8 24.3 27.8 91.5 50 50 A D > - 0 0 82 4,-0.1 3,-2.1 -6,-0.1 -1,-0.2 -0.898 67.8-168.1-126.4 106.9 28.0 28.0 92.3 51 51 A V T 3 S+ 0 0 2 -2,-0.6 16,-2.6 1,-0.3 15,-0.5 0.514 83.0 71.9 -78.2 -2.9 29.2 24.8 94.1 52 52 A T T 3 S+ 0 0 57 14,-0.2 -1,-0.3 13,-0.1 2,-0.3 0.478 95.3 67.7 -83.8 -9.1 32.5 26.5 95.0 53 53 A R S < S- 0 0 90 -3,-2.1 13,-0.5 -6,-0.2 14,-0.2 -0.779 100.2 -87.7-107.2 161.1 30.4 28.5 97.5 54 54 A A - 0 0 42 -2,-0.3 10,-0.2 11,-0.2 -4,-0.1 -0.226 40.0-148.9 -61.0 152.1 28.6 27.3 100.7 55 55 A G E -A 63 0A 5 8,-2.7 8,-2.1 -4,-0.1 2,-0.3 -0.353 9.1-132.9-105.0-168.7 25.1 26.1 100.3 56 56 A Q E -A 62 0A 84 -10,-3.1 6,-0.2 6,-0.3 -8,-0.1 -0.991 7.8-128.9-147.6 141.1 22.3 26.3 102.8 57 57 A T > - 0 0 52 4,-2.7 3,-2.4 -2,-0.3 6,-0.1 -0.358 45.7 -89.0 -78.2 176.7 19.7 23.8 104.2 58 58 A R T 3 S+ 0 0 141 1,-0.3 -1,-0.1 2,-0.1 -12,-0.0 0.536 129.2 48.3 -66.6 -8.2 16.0 24.6 104.3 59 59 A T T 3 S- 0 0 114 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.263 123.5-100.3-114.1 17.6 16.4 26.1 107.8 60 60 A G S < S+ 0 0 60 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.620 71.3 145.5 82.5 18.7 19.4 28.3 106.9 61 61 A K - 0 0 147 1,-0.1 -4,-2.7 0, 0.0 -1,-0.3 -0.630 55.2-103.0 -87.5 152.1 22.2 26.2 108.3 62 62 A E E -A 56 0A 153 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.3 -0.370 28.8-157.9 -73.8 138.5 25.4 26.3 106.2 63 63 A I E -A 55 0A 36 -8,-2.1 -8,-2.7 -17,-0.2 3,-0.1 -0.987 27.2-113.4-118.7 128.4 26.4 23.4 103.9 64 64 A A - 0 0 45 -2,-0.5 7,-0.1 -10,-0.2 -11,-0.1 -0.185 47.6 -84.3 -57.9 145.3 30.0 23.1 103.0 65 65 A P - 0 0 25 0, 0.0 -11,-0.2 0, 0.0 -1,-0.2 -0.097 29.2-141.5 -45.3 140.5 30.7 23.7 99.3 66 66 A L S S+ 0 0 18 -15,-0.5 -14,-0.2 -13,-0.5 46,-0.1 0.752 72.3 100.9 -79.2 -23.4 30.2 20.6 97.0 67 67 A A >> - 0 0 0 -16,-2.6 4,-3.1 1,-0.2 3,-1.3 -0.528 69.5-143.7 -66.0 132.6 33.2 21.5 94.8 68 68 A P T 34 S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.824 100.9 68.2 -64.5 -27.2 36.3 19.4 95.6 69 69 A S T 34 S+ 0 0 84 1,-0.2 -17,-0.1 2,-0.1 -2,-0.1 0.827 114.9 28.2 -60.3 -33.8 38.3 22.5 94.8 70 70 A A T <4 S+ 0 0 44 -3,-1.3 -1,-0.2 1,-0.2 -4,-0.1 0.774 131.7 34.4-101.5 -38.2 36.7 24.0 98.1 71 71 A T S >< S- 0 0 19 -4,-3.1 3,-1.4 1,-0.1 -1,-0.2 -0.950 74.8-160.9-122.2 105.4 36.1 20.8 100.1 72 72 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.809 79.2 53.7 -58.6 -37.6 38.8 18.2 99.5 73 73 A D T > S+ 0 0 108 2,-0.0 3,-1.0 3,-0.0 4,-0.1 0.223 75.6 141.7 -86.4 20.2 37.5 14.8 100.6 74 74 A R T < S+ 0 0 64 -3,-1.4 -8,-0.0 1,-0.2 -7,-0.0 -0.317 71.4 5.3 -61.1 137.2 34.3 15.2 98.4 75 75 A F T 3 S+ 0 0 23 2,-0.1 -1,-0.2 1,-0.1 -67,-0.2 0.871 91.7 116.5 63.1 39.3 33.3 11.9 96.7 76 76 A T < + 0 0 36 -3,-1.0 -74,-2.7 1,-0.2 -73,-1.5 0.305 63.5 65.2-118.7 17.5 35.8 9.7 98.4 77 77 A D > - 0 0 48 -76,-0.2 4,-1.6 -75,-0.2 5,-0.2 -0.946 63.7-162.2-141.8 108.1 33.3 7.5 100.2 78 78 A S H > S+ 0 0 49 -2,-0.5 4,-1.8 1,-0.2 5,-0.2 0.861 90.2 52.9 -62.5 -43.4 31.0 5.4 98.2 79 79 A A H > S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.874 108.0 53.0 -58.9 -43.4 28.5 4.8 100.8 80 80 A R H > S+ 0 0 158 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.910 107.3 49.2 -59.2 -41.3 28.1 8.6 101.5 81 81 A V H X S+ 0 0 13 -4,-1.6 4,-3.1 1,-0.2 5,-0.3 0.965 114.6 46.7 -63.8 -46.9 27.4 9.5 97.9 82 82 A E H X S+ 0 0 78 -4,-1.8 4,-2.0 -5,-0.2 5,-0.2 0.916 111.3 51.3 -65.7 -43.5 24.8 6.8 97.7 83 83 A K H X S+ 0 0 133 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.967 117.3 38.2 -59.4 -44.4 23.2 7.9 101.0 84 84 A W H X S+ 0 0 126 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.966 117.4 47.6 -76.0 -43.5 22.9 11.6 100.0 85 85 A L H X S+ 0 0 38 -4,-3.1 4,-2.5 -5,-0.3 5,-0.4 0.859 110.3 54.6 -64.0 -33.0 22.0 11.0 96.3 86 86 A G H X S+ 0 0 28 -4,-2.0 4,-0.8 -5,-0.3 -1,-0.2 0.899 115.1 39.9 -64.8 -41.9 19.4 8.5 97.5 87 87 A R H X S+ 0 0 168 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.970 124.6 34.5 -71.9 -55.4 17.9 11.1 99.8 88 88 A N H X S+ 0 0 62 -4,-3.4 4,-1.7 2,-0.2 5,-0.3 0.699 108.0 61.6 -85.0 -10.3 18.1 14.2 97.6 89 89 A a H X>S+ 0 0 7 -4,-2.5 4,-2.6 -5,-0.3 5,-0.9 0.907 110.2 47.1 -68.5 -41.6 17.4 12.7 94.1 90 90 A N H X5S+ 0 0 66 -4,-0.8 4,-1.4 -5,-0.4 -2,-0.2 0.915 111.7 48.4 -66.2 -47.9 14.1 11.7 95.6 91 91 A S H <5S+ 0 0 22 -4,-1.7 -54,-2.4 -55,-0.2 -51,-0.3 0.828 123.4 31.1 -58.9 -39.9 13.4 15.2 97.1 92 92 A V H <5S+ 0 0 10 -4,-1.7 -56,-0.9 -56,-0.2 -57,-0.2 0.921 135.4 21.5 -87.1 -52.5 14.2 17.1 94.0 93 93 A I H <5S- 0 0 19 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.697 96.7-123.3 -91.8 -23.6 13.3 14.8 91.1 94 94 A G S < - 0 0 62 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.443 26.2-103.5 -83.0 164.3 19.7 6.5 87.5 99 99 A P H > S+ 0 0 47 0, 0.0 4,-2.4 0, 0.0 -83,-0.2 0.883 123.4 53.9 -56.1 -39.1 23.2 5.3 87.1 100 100 A G H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -79,-0.3 0.903 109.8 47.6 -64.1 -39.5 23.6 7.6 84.0 101 101 A E H > S+ 0 0 35 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.938 112.1 48.8 -66.1 -41.7 22.4 10.6 86.0 102 102 A K H X S+ 0 0 29 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.929 111.8 49.2 -63.1 -43.2 24.8 9.9 88.8 103 103 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.927 115.0 44.8 -57.8 -48.1 27.7 9.4 86.4 104 104 A D H X S+ 0 0 10 -4,-2.5 4,-1.4 2,-0.2 -79,-0.4 0.909 114.5 48.3 -64.4 -45.8 26.9 12.8 84.6 105 105 A L H X S+ 0 0 9 -4,-3.2 4,-2.9 1,-0.2 3,-0.4 0.927 114.1 44.6 -63.6 -46.8 26.3 14.7 87.9 106 106 A L H X S+ 0 0 4 -4,-2.5 4,-3.3 -5,-0.2 -1,-0.2 0.866 109.0 57.1 -68.8 -36.5 29.5 13.5 89.6 107 107 A A H < S+ 0 0 22 -4,-2.2 4,-0.4 -5,-0.3 -1,-0.2 0.829 113.4 40.4 -58.8 -36.2 31.6 14.1 86.4 108 108 A W H >< S+ 0 0 30 -4,-1.4 3,-0.9 -3,-0.4 4,-0.3 0.879 118.5 46.4 -75.5 -48.8 30.5 17.8 86.5 109 109 A L H >< S+ 0 0 12 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.882 105.7 59.9 -64.5 -36.5 30.8 18.2 90.3 110 110 A A T 3< S+ 0 0 29 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.1 0.727 102.1 53.8 -62.7 -24.6 34.2 16.5 90.4 111 111 A A T < 0 0 78 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.407 360.0 360.0 -89.8 4.5 35.7 19.1 88.1 112 112 A Q < 0 0 72 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.1 0.337 360.0 360.0 -89.7 360.0 34.6 22.2 90.1 113 !* 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 0 140 0, 0.0 2,-0.3 0, 0.0 75,-0.2 0.000 360.0 360.0 360.0 -31.5 9.6 3.0 0.4 115 3 B T - 0 0 23 73,-1.9 3,-0.1 4,-0.0 0, 0.0 -0.919 360.0-136.7-157.0-171.0 13.2 3.8 -0.3 116 4 B S >> - 0 0 36 -2,-0.3 4,-2.5 1,-0.1 3,-0.5 -0.971 39.3 -93.0-153.7 162.7 16.8 2.7 0.1 117 5 B P H 3> S+ 0 0 34 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.892 120.3 51.4 -50.5 -43.6 20.1 4.4 0.9 118 6 B A H 3> S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.843 112.0 44.7 -68.3 -32.0 21.1 4.9 -2.7 119 7 B Q H <> S+ 0 0 118 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.875 112.5 51.7 -76.3 -40.1 17.9 6.6 -3.7 120 8 B L H X S+ 0 0 16 -4,-2.5 4,-2.1 67,-0.2 5,-0.2 0.948 111.8 47.0 -62.3 -43.7 17.8 8.8 -0.6 121 9 B I H X S+ 0 0 24 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.914 110.7 52.0 -61.6 -47.4 21.4 10.0 -1.3 122 10 B A H X S+ 0 0 51 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.869 109.0 51.0 -55.1 -41.8 20.7 10.6 -5.0 123 11 B G H X S+ 0 0 43 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.917 111.5 45.6 -66.6 -41.4 17.6 12.8 -4.1 124 12 B Y H X S+ 0 0 28 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.861 112.1 53.7 -69.8 -36.5 19.6 14.9 -1.6 125 13 B E H X>S+ 0 0 59 -4,-2.2 4,-1.0 2,-0.3 5,-1.0 0.920 105.9 51.6 -59.5 -47.7 22.4 15.3 -4.2 126 14 B A H ><5S+ 0 0 83 -4,-2.3 3,-0.5 1,-0.3 -2,-0.2 0.919 113.0 47.2 -58.9 -41.3 20.0 16.5 -6.9 127 15 B A H 3<5S+ 0 0 72 -4,-2.0 -2,-0.3 1,-0.3 -1,-0.3 0.762 114.8 43.5 -79.2 -24.9 18.7 19.1 -4.3 128 16 B A H 3<5S- 0 0 38 -4,-2.2 -1,-0.3 83,-0.2 -2,-0.2 0.514 103.3-129.3 -87.1 -9.7 22.2 20.3 -3.2 129 17 B G T <<5S+ 0 0 71 -4,-1.0 -3,-0.2 -3,-0.5 -4,-0.1 0.716 77.1 80.3 68.9 22.0 23.6 20.4 -6.7 130 18 B A S - 0 0 51 79,-0.3 4,-1.9 1,-0.2 3,-0.2 -0.886 7.8-167.3-121.3 106.6 31.0 13.8 0.2 134 22 B A H > S+ 0 0 38 -2,-0.5 4,-3.1 2,-0.2 5,-0.2 0.843 87.3 57.6 -59.0 -33.7 31.4 11.1 2.9 135 23 B E H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 109.1 44.7 -68.4 -41.5 34.4 12.8 4.5 136 24 B R H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.824 111.3 55.0 -65.2 -32.8 32.5 16.0 5.1 137 25 B G H X S+ 0 0 0 -4,-1.9 4,-2.8 79,-0.4 -2,-0.2 0.960 109.2 47.9 -68.5 -40.0 29.6 13.8 6.3 138 26 B R H X S+ 0 0 106 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.909 110.9 49.8 -60.1 -46.6 31.9 12.2 8.9 139 27 B A H X S+ 0 0 66 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.932 113.0 46.8 -64.8 -38.4 33.4 15.5 10.1 140 28 B L H >< S+ 0 0 32 -4,-2.1 3,-1.1 -5,-0.2 15,-0.3 0.987 111.3 52.0 -67.2 -48.3 29.9 17.0 10.6 141 29 B F H 3< S+ 0 0 7 -4,-2.8 15,-0.8 1,-0.3 14,-0.7 0.892 116.9 38.0 -53.1 -47.2 28.7 13.8 12.4 142 30 B L H 3< S+ 0 0 29 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.568 96.2 111.0 -81.5 -9.0 31.5 13.8 14.9 143 31 B S << - 0 0 29 -4,-1.4 2,-0.5 -3,-1.1 12,-0.3 -0.143 68.3-121.1 -69.8 165.7 31.8 17.6 15.3 144 32 B T - 0 0 20 10,-0.1 2,-0.4 11,-0.1 10,-0.2 -0.899 30.6-164.5-106.2 122.8 30.9 19.6 18.4 145 33 B Q - 0 0 53 8,-3.6 3,-0.3 -2,-0.5 7,-0.1 -0.949 18.9-170.4-112.0 135.6 28.2 22.2 17.7 146 34 B T + 0 0 144 -2,-0.4 59,-0.1 1,-0.2 -1,-0.1 0.595 67.8 83.5 -96.4 -12.5 27.3 25.2 20.0 147 35 B G S S+ 0 0 50 57,-0.2 58,-0.2 58,-0.2 -1,-0.2 0.310 86.7 30.8 -76.5 -0.7 24.2 26.4 18.2 148 36 B G S S- 0 0 29 56,-0.6 55,-0.2 1,-0.5 56,-0.2 -0.077 111.2 -4.0-129.5-131.6 21.2 24.3 19.4 149 37 B K > - 0 0 55 54,-1.6 3,-0.8 53,-0.1 -1,-0.5 -0.322 60.2-136.9 -62.5 140.5 20.3 22.6 22.7 150 38 B P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 108,-0.1 0.817 101.6 55.5 -74.4 -25.3 23.2 22.9 25.2 151 39 B D T 3 S+ 0 0 30 1,-0.2 -2,-0.1 105,-0.1 53,-0.1 0.408 104.0 55.4 -88.5 2.8 22.8 19.3 26.3 152 40 B T < + 0 0 29 -3,-0.8 -1,-0.2 51,-0.3 -4,-0.2 -0.686 58.0 157.2-129.8 82.5 23.2 17.8 22.8 153 41 B P + 0 0 7 0, 0.0 -8,-3.6 0, 0.0 2,-0.3 0.602 64.2 19.0 -86.2 -6.2 26.5 19.1 21.4 154 42 B S S > S- 0 0 1 -10,-0.2 3,-1.5 1,-0.1 4,-0.4 -0.987 72.6-113.8-154.5 161.7 27.1 16.4 18.8 155 43 B C T >> S+ 0 0 31 -14,-0.7 4,-1.9 -15,-0.3 3,-1.2 0.864 116.6 65.7 -62.9 -31.7 25.3 13.7 16.8 156 44 B T H 3> S+ 0 0 12 -15,-0.8 4,-1.8 -13,-0.3 -1,-0.3 0.712 76.4 84.5 -67.4 -15.8 27.5 11.3 18.8 157 45 B T H <4 S+ 0 0 21 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.883 114.2 11.8 -51.6 -42.9 25.7 12.4 22.0 158 46 B C H <4 S+ 0 0 37 -3,-1.2 10,-2.6 -4,-0.4 -2,-0.2 0.807 136.6 39.7-104.8 -36.4 23.1 9.7 21.1 159 47 B H H < S- 0 0 51 -4,-1.9 19,-0.2 8,-0.2 -3,-0.2 0.583 98.8-132.9 -87.4 -14.3 24.5 7.6 18.3 160 48 B G < - 0 0 21 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.044 28.2 -83.8 82.2 170.3 28.1 7.4 19.6 161 49 B A S S+ 0 0 25 1,-0.2 2,-0.8 80,-0.1 -1,-0.2 0.733 119.9 59.6 -84.4 -25.7 31.2 7.9 17.5 162 50 B D > - 0 0 31 79,-0.3 3,-1.5 4,-0.1 -1,-0.2 -0.890 68.0-169.6-106.7 113.7 31.2 4.3 16.1 163 51 B V T 3 S+ 0 0 2 -2,-0.8 16,-2.4 1,-0.3 15,-0.8 0.420 78.3 73.0 -88.5 7.5 27.9 3.8 14.4 164 52 B T T 3 S+ 0 0 59 14,-0.2 -1,-0.3 13,-0.2 2,-0.3 0.514 95.7 67.9 -93.0 1.4 28.4 -0.0 14.0 165 53 B R S < S- 0 0 113 -3,-1.5 13,-0.4 -6,-0.2 14,-0.2 -0.744 99.8 -92.8-113.7 156.4 27.7 -0.1 17.8 166 54 B A - 0 0 52 -2,-0.3 10,-0.2 11,-0.2 -4,-0.1 -0.277 36.7-151.6 -65.7 149.9 24.4 0.7 19.5 167 55 B G E -B 175 0B 5 8,-2.7 8,-2.3 -4,-0.1 2,-0.3 -0.300 9.4-137.3-101.7-162.4 23.7 4.3 20.7 168 56 B Q E -B 174 0B 31 -10,-2.6 6,-0.2 6,-0.3 -8,-0.1 -0.982 6.4-125.8-160.1 149.5 21.5 5.4 23.6 169 57 B T > - 0 0 51 4,-1.4 3,-1.8 -2,-0.3 6,-0.1 -0.285 49.1 -86.9 -84.9-177.0 18.9 8.1 24.5 170 58 B R T 3 S+ 0 0 67 1,-0.3 -1,-0.1 2,-0.1 90,-0.0 0.742 128.7 51.3 -72.2 -18.2 19.3 10.5 27.5 171 59 B T T 3 S- 0 0 116 2,-0.0 -1,-0.3 149,-0.0 150,-0.1 0.576 122.4-102.0 -99.0 8.6 17.6 8.0 29.8 172 60 B G < + 0 0 45 -3,-1.8 2,-0.3 1,-0.2 -2,-0.1 0.486 69.0 148.7 94.8 1.5 19.8 5.1 28.8 173 61 B K - 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0 0 70 -75,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.919 61.0-166.0-128.0 105.4 11.8 5.1 5.1 190 78 B S H > S+ 0 0 43 -2,-0.5 4,-1.8 1,-0.3 5,-0.2 0.807 91.1 50.2 -59.9 -34.8 12.0 8.6 3.6 191 79 B A H > S+ 0 0 70 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.910 109.3 51.5 -67.8 -44.0 9.6 9.9 6.1 192 80 B R H > S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.928 109.1 50.1 -59.6 -44.2 11.5 8.5 9.1 193 81 B V H X S+ 0 0 15 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.917 112.5 45.5 -63.0 -46.9 14.7 9.9 8.0 194 82 B E H X S+ 0 0 72 -4,-1.8 4,-2.4 -5,-0.2 5,-0.2 0.908 111.4 54.5 -65.3 -39.0 13.4 13.5 7.5 195 83 B K H X S+ 0 0 69 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.981 114.6 37.7 -57.8 -60.7 11.5 13.3 10.8 196 84 B W H X S+ 0 0 104 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.936 116.7 51.2 -61.2 -43.4 14.6 12.4 12.9 197 85 B L H X S+ 0 0 38 -4,-2.8 4,-2.7 -5,-0.3 5,-0.5 0.876 108.8 53.3 -61.6 -35.8 17.0 14.7 10.9 198 86 B G H X S+ 0 0 27 -4,-2.4 4,-1.4 -5,-0.3 -2,-0.2 0.980 112.7 42.9 -66.4 -45.1 14.5 17.6 11.4 199 87 B R H X S+ 0 0 147 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.916 123.0 35.7 -65.6 -44.8 14.5 17.1 15.2 200 88 B N H X>S+ 0 0 67 -4,-3.0 4,-2.3 2,-0.2 5,-0.5 0.744 108.1 59.1 -96.5 -9.8 18.2 16.5 15.6 201 89 B b H X>S+ 0 0 7 -4,-2.7 4,-2.5 -5,-0.3 5,-1.6 0.952 113.0 46.2 -65.3 -46.0 19.7 18.8 13.1 202 90 B N H X5S+ 0 0 61 -4,-1.4 4,-1.1 -5,-0.5 -2,-0.2 0.969 115.2 44.7 -59.7 -45.5 17.8 21.5 15.1 203 91 B S H <5S+ 0 0 24 -4,-2.0 -54,-1.6 -55,-0.2 -51,-0.3 0.804 125.2 31.2 -66.6 -40.2 18.9 20.2 18.5 204 92 B V H <5S+ 0 0 9 -4,-2.3 -56,-0.6 -56,-0.2 -57,-0.2 0.887 137.0 21.0 -85.1 -54.0 22.6 19.7 17.6 205 93 B I H < - 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