==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 01-AUG-76 155C . COMPND 2 MOLECULE: CYTOCHROME C550; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR R.TIMKOVICH . 134 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 52.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.7 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 . 11 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 N 0 0 154 0, 0.0 2,-5.1 0, 0.0 105,-0.0 0.000 360.0 360.0 360.0 -20.0 -1.9 33.3 23.7 2 2 A E - 0 0 154 1,-0.1 0, 0.0 110,-0.0 0, 0.0 0.347 360.0-136.9 -47.7 23.2 -3.9 30.0 24.0 3 3 A G - 0 0 27 -2,-5.1 106,-0.2 2,-0.1 -1,-0.1 0.606 30.6-174.7 11.2 106.1 -1.2 29.4 21.4 4 4 A D - 0 0 71 1,-0.1 109,-0.1 2,-0.0 0, 0.0 0.280 18.4-166.7 -92.7-135.3 -3.3 27.5 18.9 5 5 A A S >>S+ 0 0 21 107,-0.2 4,-5.2 108,-0.1 5,-0.6 -0.209 84.5 74.5 174.4 -42.3 -1.2 26.2 16.0 6 6 A A H >5S+ 0 0 61 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.967 113.2 29.6 -49.6 -50.6 -4.4 25.5 14.0 7 7 A K H >5S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.848 118.6 61.9 -75.0 -34.7 -4.3 29.2 13.7 8 8 A G H >5S+ 0 0 1 101,-0.3 4,-1.0 1,-0.2 -2,-0.2 0.863 107.7 39.3 -58.5 -41.4 -0.5 29.1 13.9 9 9 A E H X5S+ 0 0 97 -4,-5.2 4,-0.7 2,-0.2 3,-0.3 0.891 108.4 62.5 -76.5 -41.6 -0.0 27.0 10.8 10 10 A K H ><< S+ 0 0 48 -4,-2.2 3,-5.5 1,-0.3 -1,-0.3 0.767 86.1 85.6 -66.7 -28.6 -0.6 31.9 9.4 12 12 A F H >X S+ 0 0 5 -4,-1.0 3,-3.7 1,-0.4 4,-2.2 0.808 73.2 84.0 -43.9 -23.2 2.7 30.2 8.5 13 13 A N T << S+ 0 0 116 -3,-1.2 -1,-0.4 -4,-0.7 4,-0.2 0.645 84.0 55.6 -55.7 -11.0 1.2 31.3 5.2 14 14 A K T <4 S+ 0 0 95 -3,-5.5 -1,-0.3 2,-0.1 -2,-0.2 0.462 115.2 33.2 -96.3 -12.1 2.9 34.5 6.1 15 15 A C T X> S+ 0 0 35 -3,-3.7 3,-2.7 -4,-0.3 4,-1.4 0.724 98.9 88.6-108.4 -56.5 6.7 32.8 6.6 16 16 A K T 3< S+ 0 0 70 -4,-2.2 16,-1.4 1,-0.3 -3,-0.1 0.463 77.5 58.6 -18.2 -47.1 6.2 30.0 3.6 17 17 A A T 34 S+ 0 0 81 14,-0.3 17,-0.4 -4,-0.2 -1,-0.3 0.847 123.5 22.6 -58.3 -35.5 7.4 32.1 0.7 18 18 A C T <4 S+ 0 0 61 -3,-2.7 17,-5.6 16,-0.1 2,-0.4 0.723 122.1 67.2 -92.9 -38.2 11.3 32.6 2.6 19 19 A H E < -a 35 0A 22 -4,-1.4 13,-0.2 15,-0.2 14,-0.2 -0.817 63.5-164.0-114.7 134.7 10.9 29.8 4.6 20 20 A M E -a 37 0A 27 15,-0.8 18,-2.9 16,-0.7 19,-0.2 -0.417 2.8-167.5 -85.0 168.7 10.8 25.6 4.0 21 21 A I + 0 0 0 7,-0.4 18,-0.7 16,-0.3 -1,-0.2 0.533 35.6 139.4-124.4 -64.7 9.5 23.3 6.7 22 22 A Q - 0 0 69 6,-1.3 5,-0.3 7,-0.3 17,-0.1 0.403 45.0-126.3 35.4 173.6 10.6 19.9 5.3 23 23 A A - 0 0 15 3,-1.4 -2,-0.0 16,-0.0 16,-0.0 -0.735 48.1 -71.6-136.5-177.9 12.1 17.2 7.5 24 24 A P S S+ 0 0 122 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.573 134.7 8.7 -57.4 -1.5 15.3 15.2 7.3 25 25 A D S S+ 0 0 131 1,-0.4 2,-0.2 0, 0.0 -3,-0.0 0.619 122.0 22.0-140.6 -59.2 13.1 13.9 4.5 26 26 A G S S- 0 0 21 -5,-0.0 -3,-1.4 0, 0.0 2,-0.6 -0.695 73.3 -99.1-118.7 172.2 9.8 15.1 3.1 27 27 A T - 0 0 66 -5,-0.3 2,-0.3 -2,-0.2 -7,-0.0 -0.845 20.0-168.7-107.2 113.6 8.1 18.5 3.2 28 28 A D S S- 0 0 62 -2,-0.6 -6,-1.3 89,-0.0 -7,-0.4 -0.655 84.3 -5.6 -83.7 149.9 5.4 19.5 5.6 29 29 A I S S- 0 0 36 -2,-0.3 2,-0.3 -8,-0.2 -7,-0.3 0.054 89.5-118.9 48.5-174.3 4.2 22.8 4.1 30 30 A K + 0 0 122 -11,-0.1 2,-0.3 -10,-0.1 -1,-0.1 -0.907 38.2 173.0-159.3 128.9 6.3 24.0 1.2 31 31 A G - 0 0 4 -2,-0.3 -14,-0.3 1,-0.1 -15,-0.1 -0.998 36.5 -79.4-150.9 151.3 8.2 27.2 1.2 32 32 A G - 0 0 21 -16,-1.4 3,-0.1 -2,-0.3 -14,-0.1 0.157 36.5-128.9 -35.4 159.7 10.7 29.5 -0.6 33 33 A K S S+ 0 0 143 1,-0.2 -1,-0.2 -14,-0.2 -15,-0.1 0.324 87.3 98.3 -98.4 4.9 14.4 28.5 -0.1 34 34 A T S S+ 0 0 94 -17,-0.4 -15,-0.2 2,-0.1 -1,-0.2 0.981 87.8 34.3 -54.6 -61.4 15.2 32.1 0.9 35 35 A G E S-a 19 0A 9 -17,-5.6 -15,-0.8 1,-0.2 3,-0.1 -0.536 97.8 -85.9 -96.6 162.7 15.1 31.2 4.6 36 36 A P E - 0 0 23 0, 0.0 -16,-0.7 0, 0.0 2,-0.4 0.181 55.7 -73.8 -57.4 176.4 16.0 28.1 6.5 37 37 A N E -a 20 0A 20 1,-0.2 4,-0.3 -18,-0.1 -16,-0.3 -0.632 41.9-161.1 -73.0 126.7 14.0 24.9 7.3 38 38 A L + 0 0 23 -18,-2.9 4,-0.3 -2,-0.4 -17,-0.2 0.525 62.8 101.1 -88.1 -7.7 11.6 26.2 9.9 39 39 A Y S S+ 0 0 62 -18,-0.7 2,-1.5 -19,-0.2 79,-0.1 -0.500 86.9 16.0 -75.6 148.3 11.0 22.6 11.0 40 40 A G S S+ 0 0 9 74,-0.2 4,-0.4 -2,-0.2 78,-0.2 -0.582 82.4 121.8 90.2 -75.0 12.9 21.7 14.1 41 41 A V > + 0 0 14 -2,-1.5 3,-5.4 -4,-0.3 -2,-0.1 0.232 57.0 79.0 16.9 -99.7 13.9 25.2 15.3 42 42 A V T 3 S+ 0 0 9 1,-0.3 29,-0.2 -4,-0.3 78,-0.2 0.076 112.1 15.3 -29.6 96.0 12.1 24.7 18.7 43 43 A G T 3 S+ 0 0 29 27,-0.6 -1,-0.3 26,-0.5 -2,-0.2 -0.293 112.8 104.1 125.6 -41.9 14.8 22.6 20.5 44 44 A R S < S- 0 0 59 -3,-5.4 -2,-0.1 -4,-0.4 25,-0.1 0.853 75.6-103.5 -27.7-101.6 17.4 23.6 17.8 45 45 A K > - 0 0 81 26,-0.1 3,-3.4 -4,-0.1 24,-0.3 0.008 45.0 -87.1 147.2 100.5 20.3 26.1 18.2 46 46 A I T 3 S- 0 0 2 22,-2.7 23,-0.0 1,-0.3 22,-0.0 0.105 110.2 -7.2 -28.3 115.9 20.3 29.6 16.7 47 47 A A T 3 S+ 0 0 12 15,-0.0 -1,-0.3 3,-0.0 7,-0.1 0.423 93.2 127.1 71.1 1.2 21.6 29.2 13.2 48 48 A S < + 0 0 60 -3,-3.4 -2,-0.1 2,-0.1 -3,-0.0 0.937 34.6 105.2 -50.5 -91.6 22.7 25.6 13.3 49 49 A E S S- 0 0 58 -4,-0.1 3,-0.4 1,-0.1 2,-0.1 0.585 73.4-116.9 6.2 113.6 21.0 24.2 10.3 50 50 A E S S+ 0 0 175 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.292 74.1 21.1 -79.8 155.2 23.6 23.6 7.6 51 51 A G S S+ 0 0 78 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.794 85.9 114.7 70.4 32.4 24.4 24.9 4.1 52 52 A F S S- 0 0 52 -3,-0.4 2,-1.2 -16,-0.0 -1,-0.3 -0.825 74.0-108.5-125.6 164.4 22.5 28.2 4.2 53 53 A K - 0 0 130 -2,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.652 40.7-163.4 -97.8 78.0 23.8 31.8 4.0 54 54 A Y - 0 0 32 -2,-1.2 2,-0.1 -7,-0.1 -19,-0.0 -0.293 27.5-104.8 -62.8 142.3 23.2 33.0 7.6 55 55 A G > - 0 0 12 1,-0.1 4,-1.5 4,-0.0 3,-0.2 -0.425 35.8-113.9 -65.1 142.4 23.3 36.7 8.2 56 56 A E H > S+ 0 0 143 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.728 108.8 59.2 -51.1 -28.1 26.6 37.5 10.0 57 57 A G H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 3,-0.5 0.963 100.7 46.8 -69.2 -57.1 24.8 38.5 13.2 58 58 A I H > S+ 0 0 17 1,-0.3 4,-2.8 -3,-0.2 5,-0.3 0.887 113.2 59.4 -53.9 -35.6 22.9 35.4 14.2 59 59 A L H X S+ 0 0 64 -4,-1.5 4,-1.3 1,-0.2 -1,-0.3 0.892 106.7 40.2 -59.8 -45.5 26.2 33.8 13.5 60 60 A E H X S+ 0 0 83 -4,-1.5 4,-2.3 -3,-0.5 -1,-0.2 0.844 117.1 50.0 -73.9 -35.1 28.3 35.8 16.0 61 61 A V H X S+ 0 0 4 -4,-2.6 4,-3.7 2,-0.3 -2,-0.2 0.918 104.5 54.9 -69.1 -44.4 25.6 35.6 18.6 62 62 A A H < S+ 0 0 14 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.951 114.2 49.7 -52.1 -42.8 25.2 31.8 18.2 63 63 A E H < S+ 0 0 122 -4,-1.3 -2,-0.3 -5,-0.3 -1,-0.2 0.891 108.0 44.6 -61.1 -47.6 28.9 32.3 18.9 64 64 A K H < S+ 0 0 130 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.880 126.6 38.8 -66.1 -35.8 28.8 34.5 22.0 65 65 A N < + 0 0 62 -4,-3.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.709 62.0 172.5-117.0 78.9 26.1 32.1 23.1 66 66 A P S S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.691 80.5 72.1 -57.3 -10.9 27.2 28.6 22.0 67 67 A D + 0 0 89 -3,-0.1 66,-0.2 -5,-0.1 67,-0.2 0.996 60.2 108.1 -68.5 -71.7 24.2 28.1 24.2 68 68 A L + 0 0 14 -7,-0.2 -22,-2.7 1,-0.1 2,-1.1 0.186 31.5 175.7 -20.7 88.7 20.9 29.2 22.5 69 69 A T - 0 0 8 -24,-0.3 -26,-0.5 -25,-0.1 -1,-0.1 -0.628 50.6-105.6-100.0 74.9 18.6 26.5 21.4 70 70 A W - 0 0 17 -2,-1.1 -27,-0.6 -28,-0.1 -26,-0.2 0.489 39.4-169.7 0.8 73.9 15.6 28.4 20.1 71 71 A T - 0 0 54 60,-0.7 -28,-0.2 -29,-0.2 -27,-0.1 0.744 35.8-115.3 -42.3-114.8 13.1 27.9 22.9 72 72 A E S > S+ 0 0 70 -30,-0.1 4,-0.9 -29,-0.1 39,-0.1 0.048 114.1 71.1-174.9 8.3 9.9 29.3 21.3 73 73 A A H > S+ 0 0 60 2,-0.2 4,-1.0 58,-0.1 5,-0.1 0.425 105.0 45.3-106.5 -14.4 9.6 32.1 23.8 74 74 A N H > S+ 0 0 17 2,-0.2 4,-2.8 3,-0.1 5,-0.2 0.791 109.0 55.0 -91.8 -38.3 12.7 33.2 21.8 75 75 A L H > S+ 0 0 13 1,-0.2 4,-1.1 2,-0.2 5,-0.4 0.944 106.6 51.2 -57.5 -48.2 10.7 32.3 18.7 76 76 A I H X S+ 0 0 53 -4,-0.9 4,-1.2 2,-0.1 -1,-0.2 0.929 116.7 40.0 -54.2 -49.5 7.9 34.6 19.9 77 77 A E H >X S+ 0 0 84 -4,-1.0 4,-1.4 2,-0.2 3,-0.8 1.000 113.7 51.7 -63.3 -70.3 10.4 37.5 20.4 78 78 A Y H >< S+ 0 0 38 -4,-2.8 3,-0.8 1,-0.3 -3,-0.2 0.844 114.5 39.4 -29.6 -85.8 12.6 37.0 17.3 79 79 A V H 3< S+ 0 0 30 -4,-1.1 24,-1.7 1,-0.3 -1,-0.3 0.758 102.9 72.3 -39.4 -36.4 9.8 36.9 14.7 80 80 A T H << S- 0 0 43 -4,-1.2 23,-1.9 -3,-0.8 -1,-0.3 0.965 138.0 -32.8 -44.2 -68.9 8.0 39.7 16.5 81 81 A D S << S- 0 0 58 -4,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 -0.708 71.5-163.8-157.1 93.5 10.7 42.0 15.2 82 82 A P S >> S+ 0 0 3 0, 0.0 4,-3.2 0, 0.0 3,-1.0 0.603 76.6 64.3 -57.5 -25.3 14.1 40.2 15.0 83 83 A K T 34 S+ 0 0 85 1,-0.2 14,-0.1 2,-0.2 -5,-0.1 0.969 99.6 58.0 -65.1 -52.4 16.7 43.0 14.7 84 84 A P T 34 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.452 116.8 33.2 -57.4 -0.9 15.8 44.1 18.2 85 85 A L T <> S+ 0 0 8 -3,-1.0 4,-2.5 1,-0.4 -2,-0.2 0.624 118.1 53.9-114.7 -64.8 16.6 40.6 19.6 86 86 A V T < S+ 0 0 5 -4,-3.2 -1,-0.4 2,-0.2 2,-0.3 -0.527 120.4 30.4 -65.7 150.7 19.4 39.9 17.1 87 87 A K T >4 S+ 0 0 33 1,-0.2 2,-1.2 -3,-0.1 3,-0.9 -0.685 111.2 59.6 87.5-150.5 21.3 43.0 17.9 88 88 A K T 34 S+ 0 0 81 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.086 108.1 54.7 32.9 -72.5 20.5 43.7 21.6 89 89 A M T 3< S+ 0 0 65 -4,-2.5 -1,-0.3 -2,-1.2 -3,-0.1 0.650 115.3 31.9 -53.8 -25.8 22.1 40.3 22.1 90 90 A T S < S- 0 0 30 -3,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.761 97.6-141.2 -97.1 -42.8 25.4 40.9 20.4 91 91 A D + 0 0 120 1,-0.4 2,-0.8 0, 0.0 -3,-0.2 0.085 63.1 130.2 100.3 -18.4 25.1 44.5 21.6 92 92 A D - 0 0 91 -5,-0.2 -1,-0.4 -35,-0.1 2,-0.2 -0.579 56.7-142.2 -71.1 109.3 26.6 45.2 18.2 93 93 A K S S+ 0 0 160 -2,-0.8 -6,-0.1 1,-0.2 -1,-0.0 -0.547 81.5 60.0 -75.3 137.9 24.3 47.9 16.9 94 94 A G + 0 0 47 -2,-0.2 -1,-0.2 -11,-0.0 -7,-0.1 0.737 66.1 177.9 106.3 52.3 23.7 47.5 13.1 95 95 A A - 0 0 7 1,-0.2 -8,-0.1 -9,-0.1 -38,-0.1 0.896 7.7-169.9 -48.3 -96.5 22.2 44.0 13.4 96 96 A K - 0 0 155 3,-0.1 -1,-0.2 -10,-0.1 -13,-0.1 -0.499 6.8-172.0 136.8 -63.5 21.4 43.4 9.8 97 97 A T - 0 0 32 1,-0.1 -41,-0.1 -15,-0.1 3,-0.1 0.214 30.2-131.1 57.8 169.4 19.3 40.2 9.8 98 98 A K S S+ 0 0 116 -43,-0.1 2,-0.5 1,-0.1 -1,-0.1 0.228 90.9 83.0-130.6 -4.9 18.3 38.5 6.5 99 99 A M + 0 0 38 1,-0.1 -3,-0.1 2,-0.1 -16,-0.1 -0.940 46.3 165.4-105.2 124.6 14.9 38.4 7.8 100 100 A T + 0 0 129 -2,-0.5 -1,-0.1 -3,-0.1 -17,-0.0 0.442 37.2 117.1-119.1 -4.4 12.7 41.5 7.5 101 101 A F - 0 0 90 2,-0.0 2,-0.4 1,-0.0 -2,-0.1 -0.325 47.9-161.6 -59.8 146.2 9.3 40.1 8.2 102 102 A K - 0 0 132 -21,-0.1 2,-0.6 -20,-0.1 -21,-0.2 -0.998 5.8-169.7-129.8 131.4 7.9 41.9 11.3 103 103 A M + 0 0 18 -23,-1.9 4,-0.0 -24,-1.7 -2,-0.0 -0.867 18.2 157.7-131.8 98.9 5.1 39.8 12.8 104 104 A G + 0 0 71 -2,-0.6 -1,-0.1 1,-0.1 -24,-0.1 0.238 56.6 56.4-109.7 16.5 3.2 41.7 15.6 105 105 A K S S+ 0 0 188 1,-0.1 -1,-0.1 -25,-0.1 -2,-0.0 0.773 108.9 24.8-111.9 -40.7 -0.3 40.3 16.1 106 106 A N > + 0 0 39 1,-0.1 4,-1.2 2,-0.1 -2,-0.1 -0.379 65.7 148.2-131.3 61.1 -0.2 36.5 16.8 107 107 A Q H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.912 72.4 35.4 -55.8 -62.9 3.1 35.3 18.3 108 108 A A H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.835 107.6 70.1 -66.7 -32.0 2.7 32.4 20.7 109 109 A D H > S+ 0 0 22 1,-0.2 4,-1.5 -106,-0.2 -101,-0.3 0.954 110.8 35.1 -48.4 -50.2 -0.1 31.1 18.4 110 110 A V H X S+ 0 0 17 -4,-1.2 4,-2.6 -3,-0.3 5,-0.3 0.927 110.5 53.5 -70.7 -51.4 2.9 30.5 16.1 111 111 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.930 106.7 64.4 -51.3 -40.6 5.8 29.4 18.2 112 112 A A H >X S+ 0 0 24 -4,-2.8 4,-2.1 -5,-0.2 3,-1.8 0.949 104.3 40.6 -43.0 -73.8 3.1 27.0 19.3 113 113 A F H 3X S+ 0 0 11 -4,-1.5 4,-1.6 1,-0.3 -1,-0.2 0.834 118.9 45.8 -43.5 -45.7 2.9 25.4 15.9 114 114 A L H 3X S+ 0 0 12 -4,-2.6 4,-0.9 2,-0.2 -1,-0.3 0.664 104.4 62.0 -75.3 -16.7 6.7 25.5 15.4 115 115 A A H X< S+ 0 0 17 -4,-2.5 3,-1.3 -3,-1.8 -2,-0.2 0.987 107.2 49.2 -67.8 -64.3 7.2 24.1 18.9 116 116 A Q H 3< S+ 0 0 126 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.758 102.2 56.0 -37.9 -50.3 5.3 21.1 17.6 117 117 A D H 3< S+ 0 0 25 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.812 101.7 58.8 -59.3 -33.2 7.1 20.4 14.3 118 118 A D S << S- 0 0 9 -3,-1.3 -1,-0.2 -4,-0.9 -79,-0.0 -0.757 78.1-174.5 -98.2 83.5 10.5 20.1 16.1 119 119 A P + 0 0 95 0, 0.0 2,-0.6 0, 0.0 3,-0.2 0.610 52.1 94.4 -57.3 -15.6 9.1 17.3 18.3 120 120 A D + 0 0 121 1,-0.2 -76,-0.0 -78,-0.2 -2,-0.0 -0.721 19.3 122.1 -87.6 119.7 12.3 17.1 20.4 121 121 A A S S- 0 0 63 -2,-0.6 3,-0.4 -78,-0.1 -1,-0.2 -0.099 77.5-129.9-148.5 -2.2 12.3 19.1 23.6 122 122 A X - 0 0 65 1,-0.3 3,-0.3 -3,-0.2 2,-0.1 0.686 52.4 -67.7 53.3 24.8 12.9 15.6 24.8 123 123 A X S S- 0 0 91 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 -0.162 119.0 -24.3 88.7 -39.5 10.2 15.7 27.5 124 124 A X S S- 0 0 49 -3,-0.4 -1,-0.3 -2,-0.1 0, 0.0 -0.100 95.4-171.9-158.5 -95.3 12.5 18.2 29.0 125 125 A X - 0 0 62 -3,-0.3 -1,-0.1 2,-0.1 8,-0.1 0.599 16.6 -14.1-120.4-115.3 16.3 18.5 28.5 126 126 A X S S- 0 0 74 7,-0.0 8,-0.2 1,-0.0 7,-0.1 0.510 94.2 -17.3 136.3 10.1 20.0 19.1 28.3 127 127 A X - 0 0 75 6,-0.2 2,-0.2 5,-0.1 -2,-0.1 -0.229 49.9-146.8 175.0 -84.8 20.9 22.3 30.2 128 128 A X + 0 0 43 1,-0.3 4,-0.2 -3,-0.0 3,-0.1 -0.403 36.3 142.2 119.7 -62.2 19.0 25.3 31.5 129 129 A X S > S- 0 0 67 -2,-0.2 3,-1.9 2,-0.1 -1,-0.3 0.146 73.7 -85.2 -29.9 107.2 20.8 28.7 31.6 130 130 A X T 3 S+ 0 0 77 1,-0.3 2,-0.6 3,-0.1 3,-0.1 0.398 113.4 23.7 -20.2 143.9 17.9 30.8 30.6 131 131 A X T 3 S+ 0 0 36 1,-0.4 -60,-0.7 -3,-0.1 -1,-0.3 -0.160 126.4 58.1 85.6 -41.1 16.9 31.5 27.0 132 132 A X < + 0 0 14 -3,-1.9 -1,-0.4 -2,-0.6 -64,-0.1 -0.236 45.5 134.1-101.8-166.1 18.7 28.2 26.4 133 133 A X 0 0 40 -66,-0.2 -6,-0.2 -3,-0.1 -2,-0.1 0.622 360.0 360.0 120.8 52.5 18.0 24.8 27.9 134 134 A X 0 0 63 -8,-0.2 -66,-0.1 -67,-0.2 -10,-0.1 0.333 360.0 360.0-149.0 360.0 18.1 22.5 24.8