==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER 07-JAN-05 2BH4 . COMPND 2 MOLECULE: CYTOCHROME C-550; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS VERSUTUS; . AUTHOR J.A.R.WORRALL,A.-M.M.VAN ROON,M.UBBINK,G.W.CANTERS . 120 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 55.8 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 5.0 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 . 1 0.8 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 . 6 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 30.0 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+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 0 3 1 0 0 0 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 . 1 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 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 2 X E 0 0 230 0, 0.0 108,-0.1 0, 0.0 107,-0.0 0.000 360.0 360.0 360.0 93.2 -9.2 23.8 30.1 2 3 X G - 0 0 34 106,-0.2 2,-0.6 1,-0.1 107,-0.2 -0.306 360.0-143.1 -63.1 142.3 -5.5 22.9 29.9 3 4 X D > - 0 0 65 1,-0.1 4,-2.4 103,-0.1 3,-0.3 -0.919 5.8-162.1-109.6 107.4 -3.1 25.3 28.2 4 5 X A H > S+ 0 0 21 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.788 88.7 59.5 -64.2 -26.6 -0.5 23.4 26.2 5 6 X A H > S+ 0 0 62 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.931 110.0 41.2 -68.2 -43.7 1.8 26.4 26.1 6 7 X K H > S+ 0 0 110 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.879 112.1 58.0 -65.9 -39.5 2.0 26.6 29.8 7 8 X G H X S+ 0 0 0 -4,-2.4 4,-1.9 102,-0.3 -2,-0.2 0.863 98.0 59.2 -59.1 -39.2 2.3 22.8 29.9 8 9 X E H < S+ 0 0 95 -4,-2.0 4,-0.2 2,-0.2 -1,-0.2 0.914 108.7 45.1 -57.5 -41.7 5.4 22.9 27.7 9 10 X K H >< S+ 0 0 143 -4,-1.1 3,-2.0 1,-0.2 -2,-0.2 0.941 110.9 52.1 -67.3 -44.1 7.1 25.0 30.4 10 11 X E H >< S+ 0 0 26 -4,-2.1 3,-2.2 1,-0.3 -1,-0.2 0.789 93.7 74.2 -63.9 -25.3 5.9 22.8 33.3 11 12 X F G >X S+ 0 0 1 -4,-1.9 3,-2.1 1,-0.3 4,-1.7 0.638 72.6 83.1 -64.5 -14.5 7.3 19.8 31.5 12 13 X N G <4 S+ 0 0 95 -3,-2.0 4,-0.4 1,-0.3 -1,-0.3 0.793 86.3 58.1 -58.1 -23.2 10.7 21.1 32.5 13 14 X K G <4 S+ 0 0 99 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.504 112.2 40.5 -78.4 -9.5 9.9 19.2 35.8 14 15 X C T X> S+ 0 0 25 -3,-2.1 4,-2.1 -4,-0.1 3,-1.5 0.632 94.0 78.6-106.6 -26.6 9.5 16.0 33.8 15 16 X K T 3< S+ 0 0 82 -4,-1.7 17,-2.3 1,-0.3 -2,-0.1 0.646 75.9 74.3 -72.3 -14.8 12.3 16.1 31.3 16 17 X A T 34 S+ 0 0 82 -4,-0.4 18,-0.3 15,-0.2 -1,-0.3 0.879 119.8 17.6 -56.6 -36.4 15.0 15.0 33.7 17 18 X C T <4 S+ 0 0 53 -3,-1.5 18,-3.0 15,-0.2 2,-0.4 0.711 125.6 50.6-106.7 -29.3 13.4 11.6 33.4 18 19 X H < - 0 0 24 -4,-2.1 14,-0.5 16,-0.2 2,-0.2 -0.916 55.1-160.9-120.0 142.9 11.2 11.7 30.2 19 20 X M - 0 0 18 -2,-0.4 19,-2.6 13,-0.3 2,-0.4 -0.700 14.7-143.5-105.9 167.3 11.6 12.7 26.6 20 21 X V E +A 29 0A 0 9,-2.3 8,-3.2 -2,-0.2 9,-2.3 -0.936 37.1 161.1-126.6 102.2 9.0 13.5 24.0 21 22 X Q E -A 27 0A 60 -2,-0.4 6,-0.2 6,-0.2 18,-0.2 -0.992 34.7-126.3-130.9 127.1 10.3 12.0 20.8 22 23 X A > - 0 0 16 4,-2.8 3,-2.6 -2,-0.4 17,-0.0 -0.224 33.1-102.7 -70.0 158.5 8.3 11.3 17.7 23 24 X P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.749 122.4 58.8 -54.5 -23.2 8.4 7.8 16.0 24 25 X D T 3 S- 0 0 128 2,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.346 124.3-102.6 -87.5 7.4 10.8 9.2 13.3 25 26 X G S < S+ 0 0 37 -3,-2.6 2,-0.3 1,-0.3 -1,-0.0 0.331 72.1 146.4 91.9 -5.7 13.3 10.2 16.0 26 27 X T - 0 0 70 -5,-0.1 -4,-2.8 1,-0.1 2,-0.4 -0.489 45.8-132.4 -67.0 123.7 12.5 13.9 16.1 27 28 X D E +A 21 0A 70 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.2 -0.638 30.5 171.6 -76.6 123.8 12.9 15.4 19.6 28 29 X I E S+ 0 0 58 -8,-3.2 2,-0.4 -2,-0.4 -7,-0.2 0.786 89.0 8.3 -87.6 -50.9 10.0 17.5 20.7 29 30 X V E S-A 20 0A 16 -9,-2.3 -9,-2.3 -3,-0.2 -1,-0.4 -0.960 80.8-140.0-129.4 114.5 11.6 17.7 24.2 30 31 X K + 0 0 152 -2,-0.4 2,-0.3 -3,-0.2 -12,-0.1 -0.567 46.4 142.2 -66.8 132.1 15.0 16.2 24.6 31 32 X G - 0 0 21 -2,-0.3 -12,-0.3 1,-0.1 -15,-0.2 -0.901 44.6 -63.4-160.1-175.7 15.0 14.4 27.9 32 33 X G - 0 0 20 -17,-2.3 -13,-0.3 -14,-0.5 -15,-0.2 0.012 25.4-136.6 -75.9-178.1 16.1 11.5 30.0 33 34 X K S S+ 0 0 171 -17,-0.3 -15,-0.1 -15,-0.2 -16,-0.1 0.297 77.6 100.2-126.3 8.2 15.4 7.8 29.7 34 35 X T S S+ 0 0 111 -18,-0.3 -16,-0.2 -17,-0.1 -17,-0.1 0.840 93.9 32.4 -62.4 -38.8 14.6 7.0 33.4 35 36 X G S S- 0 0 10 -18,-3.0 -16,-0.3 1,-0.1 3,-0.1 -0.803 106.1 -86.7-111.5 165.6 10.9 7.1 32.5 36 37 X P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.204 50.8 -83.2 -72.4 159.4 9.4 6.1 29.1 37 38 X N - 0 0 46 1,-0.1 -17,-0.2 -19,-0.1 -4,-0.0 -0.387 36.4-158.9 -56.0 131.7 9.0 8.3 26.1 38 39 X L > + 0 0 25 -19,-2.6 3,-1.9 -3,-0.1 4,-0.3 0.430 51.2 120.2-101.2 -1.1 5.8 10.3 26.5 39 40 X Y T 3 S+ 0 0 49 -20,-0.3 79,-0.2 1,-0.3 76,-0.1 -0.440 89.2 9.3 -54.8 135.5 5.2 11.2 22.9 40 41 X G T 3 S+ 0 0 21 77,-2.3 -1,-0.3 74,-0.4 78,-0.2 0.639 86.6 135.0 69.6 13.3 1.8 9.7 22.1 41 42 X V X + 0 0 3 -3,-1.9 3,-2.2 76,-0.2 29,-0.4 0.824 42.8 91.7 -68.0 -31.8 1.0 8.8 25.7 42 43 X V T 3 S+ 0 0 12 72,-0.4 29,-0.2 -4,-0.3 78,-0.1 -0.520 105.6 8.0 -69.0 119.4 -2.6 10.2 25.5 43 44 X G T 3 S+ 0 0 39 27,-2.9 2,-0.3 -2,-0.4 -1,-0.3 0.404 100.0 136.2 88.3 2.8 -4.7 7.2 24.5 44 45 X R < - 0 0 46 -3,-2.2 26,-2.2 26,-0.3 -1,-0.3 -0.602 65.5 -99.8 -83.6 137.7 -1.8 4.8 24.9 45 46 X K B > -B 69 0B 87 -2,-0.3 3,-0.8 24,-0.3 24,-0.3 -0.251 52.3 -93.5 -49.8 134.8 -2.3 1.4 26.7 46 47 X I T 3 S- 0 0 0 22,-1.7 -1,-0.1 1,-0.2 22,-0.1 -0.293 101.9 -4.0 -53.0 132.9 -1.1 1.7 30.3 47 48 X A T 3 S+ 0 0 14 -3,-0.1 -1,-0.2 1,-0.1 7,-0.1 0.884 93.0 129.0 51.2 54.5 2.6 0.5 30.7 48 49 X S < + 0 0 53 -3,-0.8 2,-0.4 2,-0.1 -1,-0.1 0.313 17.1 131.0-124.4 8.2 3.1 -0.6 27.0 49 50 X V > - 0 0 36 -4,-0.1 3,-1.6 1,-0.1 -3,-0.0 -0.504 65.2-110.8 -69.9 123.6 6.2 1.1 25.8 50 51 X E T 3 S+ 0 0 194 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.277 95.7 5.8 -53.8 128.8 8.5 -1.5 24.1 51 52 X G T 3 S+ 0 0 79 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.221 92.4 130.9 83.9 -13.7 11.6 -2.2 26.1 52 53 X F < - 0 0 58 -3,-1.6 2,-1.1 1,-0.1 -1,-0.2 -0.572 55.9-134.6 -78.5 134.7 10.8 -0.1 29.1 53 54 X K - 0 0 115 -2,-0.3 2,-0.1 -3,-0.1 -1,-0.1 -0.745 30.0-167.5 -91.3 94.4 11.2 -1.8 32.5 54 55 X Y - 0 0 36 -2,-1.1 2,-0.0 1,-0.1 -19,-0.0 -0.382 21.9-105.3 -78.2 155.6 8.0 -0.9 34.4 55 56 X G > - 0 0 33 -2,-0.1 4,-1.6 1,-0.1 5,-0.2 -0.291 34.6-105.1 -73.3 164.4 7.4 -1.3 38.2 56 57 X D H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.868 113.4 54.8 -64.5 -38.0 5.1 -4.1 39.5 57 58 X G H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 108.9 44.0 -63.8 -49.1 2.2 -1.9 40.3 58 59 X I H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.855 112.8 53.8 -66.6 -33.4 1.7 -0.2 37.0 59 60 X L H X S+ 0 0 77 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.871 107.5 51.7 -64.5 -36.8 2.1 -3.6 35.3 60 61 X E H X S+ 0 0 55 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.901 105.6 54.9 -67.6 -37.8 -0.6 -4.9 37.5 61 62 X V H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.954 113.3 41.8 -57.0 -49.3 -2.9 -2.1 36.5 62 63 X A H < S+ 0 0 8 -4,-1.9 3,-0.3 1,-0.2 6,-0.2 0.908 114.0 52.0 -66.0 -43.1 -2.4 -3.0 32.9 63 64 X E H < S+ 0 0 150 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.879 114.8 41.0 -59.8 -43.6 -2.7 -6.8 33.5 64 65 X K H < S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.619 122.4 41.2 -85.1 -11.9 -6.0 -6.5 35.3 65 66 X N >< + 0 0 50 -4,-1.1 3,-2.1 -3,-0.3 -1,-0.3 -0.663 67.7 174.9-134.8 73.2 -7.4 -3.9 33.0 66 67 X P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.718 79.4 48.3 -56.4 -27.3 -6.4 -5.0 29.5 67 68 X D T 3 S+ 0 0 143 -22,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.418 83.7 122.8 -93.1 -0.4 -8.4 -2.3 27.8 68 69 X M < + 0 0 34 -3,-2.1 -22,-1.7 -6,-0.2 2,-0.3 -0.432 33.5 172.0 -72.0 132.5 -7.1 0.5 29.9 69 70 X V B -B 45 0B 61 -24,-0.3 2,-1.2 -2,-0.2 -24,-0.3 -0.831 44.8 -84.2-126.7 167.4 -5.4 3.5 28.2 70 71 X W - 0 0 13 -26,-2.2 -27,-2.9 -29,-0.4 -26,-0.3 -0.633 49.5-172.4 -76.0 100.3 -4.2 6.8 29.4 71 72 X S > - 0 0 45 -2,-1.2 4,-2.6 -29,-0.2 5,-0.2 -0.471 37.7-110.1 -81.8 162.6 -7.2 9.1 29.3 72 73 X E H > S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.928 119.8 51.5 -59.0 -38.9 -6.8 12.8 30.0 73 74 X A H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 111.3 45.7 -65.7 -44.3 -8.6 12.4 33.3 74 75 X D H > S+ 0 0 25 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.897 111.2 53.9 -67.4 -38.8 -6.3 9.6 34.5 75 76 X L H X S+ 0 0 8 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.930 106.7 51.2 -60.4 -43.2 -3.2 11.5 33.4 76 77 X I H X S+ 0 0 57 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.936 114.0 44.3 -60.9 -43.6 -4.2 14.5 35.4 77 78 X E H X S+ 0 0 92 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.945 115.3 46.8 -65.5 -47.5 -4.7 12.3 38.5 78 79 X Y H < S+ 0 0 32 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.922 112.4 49.4 -63.1 -44.7 -1.5 10.3 38.0 79 80 X V H < S+ 0 0 29 -4,-2.9 24,-2.3 -5,-0.2 -1,-0.2 0.827 110.4 53.1 -61.4 -35.0 0.6 13.4 37.4 80 81 X T H < S- 0 0 53 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.914 137.9 -11.4 -67.5 -43.0 -0.8 15.0 40.5 81 82 X D X - 0 0 60 -4,-2.1 4,-1.2 21,-0.2 -1,-0.2 -0.624 63.6-170.2-163.7 90.0 0.1 12.0 42.7 82 83 X P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.865 78.0 56.7 -59.1 -43.3 1.3 8.8 41.1 83 84 X K H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.935 107.1 44.2 -61.7 -53.0 1.2 6.4 44.1 84 85 X P H > S+ 0 0 60 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.826 109.7 59.0 -64.6 -26.0 -2.4 6.7 45.3 85 86 X W H X S+ 0 0 6 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.944 108.0 45.7 -61.1 -45.7 -3.5 6.4 41.6 86 87 X L H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 6,-0.3 0.905 112.1 50.6 -62.7 -42.9 -1.7 3.0 41.5 87 88 X V H X S+ 0 0 42 -4,-2.4 4,-2.2 1,-0.2 5,-0.4 0.918 111.1 50.2 -60.6 -43.6 -3.3 2.0 44.8 88 89 X E H < S+ 0 0 119 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.932 115.1 41.3 -58.5 -47.4 -6.7 3.0 43.5 89 90 X K H < S+ 0 0 55 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.794 122.8 38.0 -78.1 -29.2 -6.4 1.1 40.2 90 91 X T H < S- 0 0 11 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.714 94.1-134.7 -88.4 -26.0 -4.8 -2.1 41.7 91 92 X G < + 0 0 71 -4,-2.2 2,-0.6 -5,-0.3 -3,-0.2 0.636 69.0 121.5 74.4 17.6 -6.7 -2.2 45.0 92 93 X D > - 0 0 58 -5,-0.4 3,-2.0 -6,-0.3 -1,-0.2 -0.934 53.1-161.9-120.3 110.0 -3.4 -2.9 46.6 93 94 X S T 3 S+ 0 0 102 -2,-0.6 -1,-0.1 1,-0.3 -6,-0.1 0.727 95.8 54.1 -60.1 -21.6 -2.1 -0.5 49.3 94 95 X A T 3 0 0 77 -7,-0.1 -1,-0.3 -3,-0.0 -37,-0.1 0.193 360.0 360.0-100.7 16.8 1.4 -2.0 48.8 95 96 X A < 0 0 16 -3,-2.0 -8,-0.1 -12,-0.1 -9,-0.1 -0.207 360.0 360.0 -49.7 360.0 1.5 -1.3 45.0 96 ! 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 97 98 X T 0 0 41 0, 0.0 -43,-0.0 0, 0.0 -14,-0.0 0.000 360.0 360.0 360.0 146.6 6.9 2.0 42.2 98 99 X K + 0 0 195 1,-0.0 2,-0.9 3,-0.0 3,-0.1 0.434 360.0 96.4-101.5 -1.4 9.9 4.3 42.7 99 100 X K + 0 0 66 1,-0.2 -1,-0.0 -17,-0.0 -44,-0.0 -0.783 33.3 139.4 -94.4 100.6 8.0 7.0 40.9 100 101 X T + 0 0 73 -2,-0.9 -1,-0.2 -18,-0.1 -17,-0.1 0.331 20.1 142.3-121.1 -1.3 6.4 9.3 43.4 101 102 X F - 0 0 107 -3,-0.1 2,-0.5 -20,-0.1 -2,-0.0 -0.260 34.9-158.5 -51.9 125.9 7.0 12.7 41.8 102 103 X K - 0 0 112 -21,-0.1 2,-0.6 -20,-0.1 -22,-0.2 -0.911 10.8-148.3-111.3 131.4 4.0 14.9 42.4 103 104 X L - 0 0 7 -24,-2.3 4,-0.1 -2,-0.5 3,-0.0 -0.884 10.9-166.2 -99.7 123.5 3.1 17.9 40.2 104 105 X G + 0 0 72 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.614 62.1 12.5 -90.8 -16.5 1.4 20.5 42.4 105 106 X K S S+ 0 0 136 1,-0.1 -1,-0.1 -95,-0.0 0, 0.0 -0.961 108.8 35.0-152.5 164.9 -0.1 22.9 39.9 106 107 X N > + 0 0 54 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 0.772 65.1 145.7 62.5 31.4 -0.8 23.2 36.2 107 108 X Q H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.930 70.1 48.5 -69.4 -44.0 -1.5 19.6 35.8 108 109 X A H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.834 109.7 56.6 -61.3 -33.9 -4.2 20.0 33.2 109 110 X D H > S+ 0 0 20 2,-0.2 4,-1.9 -107,-0.2 -102,-0.3 0.945 107.2 45.7 -62.4 -49.0 -1.7 22.2 31.3 110 111 X V H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.919 112.5 51.9 -63.2 -38.9 1.0 19.6 31.2 111 112 X V H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.886 106.5 53.7 -65.3 -36.8 -1.6 17.0 30.1 112 113 X A H X S+ 0 0 22 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.879 108.1 50.8 -60.9 -37.7 -2.7 19.4 27.3 113 114 X F H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.927 110.3 48.8 -65.6 -44.8 0.9 19.6 26.2 114 115 X L H < S+ 0 0 8 -4,-2.4 -74,-0.4 1,-0.2 -72,-0.4 0.901 110.9 51.0 -61.6 -38.0 1.1 15.7 26.2 115 116 X A H >< S+ 0 0 27 -4,-2.5 3,-1.9 1,-0.2 6,-0.2 0.877 103.3 58.2 -67.1 -38.3 -2.2 15.7 24.1 116 117 X Q H 3< S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.884 109.6 45.9 -56.8 -37.2 -0.7 18.1 21.6 117 118 X H T 3< S+ 0 0 40 -4,-1.5 -77,-2.3 1,-0.2 -1,-0.3 0.013 99.3 71.4 -99.7 28.7 2.0 15.6 21.0 118 119 X S X + 0 0 7 -3,-1.9 3,-1.9 -79,-0.2 -1,-0.2 -0.561 59.6 161.7-128.8 64.0 -0.4 12.7 20.8 119 120 X P T 3 S+ 0 0 80 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.659 70.7 49.5 -65.3 -15.1 -1.8 13.6 17.4 120 121 X D T 3 0 0 153 -78,-0.1 -3,-0.0 -3,-0.1 -77,-0.0 0.175 360.0 360.0-111.1 17.5 -3.3 10.2 16.7 121 122 X A < 0 0 92 -3,-1.9 -78,-0.1 -6,-0.2 -3,-0.1 -0.469 360.0 360.0 -64.3 360.0 -5.1 9.7 20.0