==== 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 2BH5 . 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 . 121 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 56.2 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 . 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 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 29.8 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+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 0 214 0, 0.0 2,-0.1 0, 0.0 108,-0.1 0.000 360.0 360.0 360.0 62.2 -9.1 22.9 30.4 2 3 X G - 0 0 24 106,-0.3 2,-0.6 107,-0.1 107,-0.2 -0.467 360.0-131.7 -92.6 159.9 -5.3 23.2 30.1 3 4 X D > - 0 0 65 -2,-0.1 4,-2.5 1,-0.1 3,-0.4 -0.935 14.0-160.0-105.9 107.1 -3.0 25.7 28.5 4 5 X A H > S+ 0 0 21 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.799 91.0 56.4 -60.8 -30.0 -0.4 23.7 26.5 5 6 X A H > S+ 0 0 62 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.903 110.5 43.3 -68.2 -41.2 2.0 26.7 26.5 6 7 X K H > S+ 0 0 111 -3,-0.4 4,-2.0 1,-0.2 3,-0.2 0.862 112.4 55.7 -68.3 -36.3 2.0 26.8 30.3 7 8 X G H X S+ 0 0 0 -4,-2.5 4,-1.7 102,-0.4 -2,-0.2 0.853 98.4 60.2 -64.6 -36.4 2.3 23.0 30.2 8 9 X E H < S+ 0 0 113 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.895 108.6 45.2 -57.9 -37.4 5.4 23.1 28.1 9 10 X K H >< S+ 0 0 146 -4,-0.9 3,-1.7 -3,-0.2 -2,-0.2 0.920 110.4 51.4 -73.1 -45.7 7.1 25.1 30.9 10 11 X E H >< S+ 0 0 24 -4,-2.0 3,-2.2 1,-0.3 4,-0.2 0.772 95.3 74.2 -59.3 -28.0 5.8 22.9 33.7 11 12 X F G >X S+ 0 0 2 -4,-1.7 4,-2.0 1,-0.3 3,-1.6 0.675 72.8 81.5 -66.6 -13.4 7.2 19.9 31.8 12 13 X N G <4 S+ 0 0 94 -3,-1.7 4,-0.3 1,-0.3 -1,-0.3 0.784 88.3 57.5 -57.7 -24.7 10.7 21.1 32.8 13 14 X K G <4 S+ 0 0 110 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.687 111.6 40.5 -77.2 -18.6 9.8 19.2 36.0 14 15 X C T X> S+ 0 0 28 -3,-1.6 3,-1.8 -4,-0.2 4,-1.7 0.712 96.0 76.8 -97.1 -27.4 9.2 16.0 34.1 15 16 X K T 3< S+ 0 0 85 -4,-2.0 17,-2.3 1,-0.3 -2,-0.1 0.618 75.5 75.4 -73.5 -13.2 12.0 16.1 31.6 16 17 X A T 34 S+ 0 0 78 -4,-0.3 18,-0.3 15,-0.2 -1,-0.3 0.873 120.0 16.0 -57.2 -33.2 14.7 15.0 34.1 17 18 X C T <4 S+ 0 0 50 -3,-1.8 18,-3.0 15,-0.2 2,-0.4 0.612 124.4 55.2-116.1 -19.3 13.1 11.5 33.6 18 19 X H < - 0 0 22 -4,-1.7 14,-0.4 16,-0.2 2,-0.3 -0.964 54.9-164.0-125.7 136.2 11.0 11.7 30.5 19 20 X M - 0 0 24 -2,-0.4 19,-2.6 16,-0.3 2,-0.5 -0.700 16.6-140.0-101.4 164.6 11.6 12.6 26.9 20 21 X V E +A 29 0A 0 9,-2.5 8,-2.5 -2,-0.3 9,-2.0 -0.940 35.5 165.2-121.9 105.6 9.0 13.3 24.2 21 22 X Q E -A 27 0A 62 -2,-0.5 6,-0.2 6,-0.2 18,-0.2 -0.988 30.6-131.4-129.4 127.1 10.3 11.7 21.0 22 23 X A > - 0 0 15 4,-2.7 3,-2.2 -2,-0.4 17,-0.0 -0.220 32.2-104.6 -74.1 160.6 8.3 11.1 17.9 23 24 X P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.774 120.4 60.8 -60.9 -22.7 8.3 7.6 16.2 24 25 X D T 3 S- 0 0 124 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.348 124.5-103.0 -83.1 6.4 10.6 8.9 13.4 25 26 X G S < S+ 0 0 39 -3,-2.2 2,-0.2 1,-0.3 -1,-0.1 0.337 71.9 148.9 91.9 -6.2 13.2 9.7 16.1 26 27 X T - 0 0 75 -5,-0.1 -4,-2.7 1,-0.1 2,-0.7 -0.429 44.3-132.8 -67.2 129.2 12.6 13.4 16.2 27 28 X D E +A 21 0A 84 -6,-0.2 -6,-0.2 -2,-0.2 3,-0.2 -0.721 31.9 168.3 -85.5 116.3 13.1 15.0 19.7 28 29 X I E S+ 0 0 63 -8,-2.5 2,-0.5 -2,-0.7 -7,-0.2 0.888 84.1 12.2 -86.8 -51.9 10.3 17.3 20.7 29 30 X V E S-A 20 0A 18 -9,-2.0 -9,-2.5 2,-0.0 -1,-0.4 -0.976 79.0-143.9-125.2 118.5 11.6 17.5 24.3 30 31 X K + 0 0 166 -2,-0.5 2,-0.3 -3,-0.2 -12,-0.1 -0.625 44.2 137.3 -76.5 129.7 15.1 16.1 25.0 31 32 X G - 0 0 24 -2,-0.3 -12,-0.3 1,-0.1 -15,-0.2 -0.896 47.2 -58.6-158.8-171.6 15.0 14.5 28.4 32 33 X G - 0 0 22 -17,-2.3 -13,-0.3 -14,-0.4 -15,-0.2 -0.060 27.9-134.2 -79.4 179.8 16.1 11.5 30.5 33 34 X K S S+ 0 0 167 -17,-0.2 -16,-0.1 -15,-0.2 -15,-0.1 0.261 77.8 100.2-119.5 8.4 15.4 7.8 30.2 34 35 X T S S+ 0 0 103 -18,-0.3 -16,-0.2 2,-0.1 -17,-0.1 0.831 93.1 32.6 -65.0 -34.1 14.5 6.9 33.8 35 36 X G S S- 0 0 11 -18,-3.0 -16,-0.3 1,-0.1 3,-0.1 -0.782 102.7 -83.3-116.5 166.7 10.8 7.0 32.7 36 37 X P - 0 0 18 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.185 50.8 -86.1 -67.3 154.6 9.2 6.1 29.4 37 38 X N - 0 0 43 -19,-0.2 -17,-0.2 1,-0.1 -19,-0.0 -0.417 35.2-157.8 -49.5 130.6 8.8 8.2 26.3 38 39 X L > + 0 0 21 -19,-2.6 3,-1.7 -2,-0.1 4,-0.3 0.400 50.2 122.2-104.2 4.2 5.7 10.4 26.7 39 40 X Y T 3 S+ 0 0 47 -20,-0.3 79,-0.2 1,-0.3 76,-0.1 -0.463 87.6 7.7 -60.6 131.2 5.1 11.1 23.0 40 41 X G T 3 S+ 0 0 20 77,-2.5 -1,-0.3 74,-0.4 78,-0.2 0.692 86.0 138.1 71.1 20.2 1.6 9.8 22.2 41 42 X V X + 0 0 4 -3,-1.7 3,-1.9 76,-0.2 2,-0.5 0.829 44.9 87.8 -70.2 -30.2 0.8 9.0 25.8 42 43 X V T 3 S+ 0 0 12 72,-0.3 29,-0.2 1,-0.3 3,-0.1 -0.583 106.8 9.5 -74.9 118.0 -2.8 10.4 25.5 43 44 X G T 3 S+ 0 0 43 27,-2.9 2,-0.3 -2,-0.5 -1,-0.3 0.447 100.0 132.1 92.0 2.4 -4.9 7.4 24.4 44 45 X R < - 0 0 45 -3,-1.9 26,-2.5 26,-0.2 -1,-0.3 -0.670 67.1-100.4 -88.3 140.0 -2.0 4.9 24.8 45 46 X K B > -B 69 0B 88 -2,-0.3 3,-0.8 24,-0.3 24,-0.3 -0.311 52.8 -92.2 -52.5 137.7 -2.6 1.6 26.7 46 47 X I T 3 S- 0 0 1 22,-1.6 -1,-0.1 1,-0.2 22,-0.1 -0.238 101.2 -4.4 -54.4 132.5 -1.3 1.8 30.3 47 48 X A T 3 S+ 0 0 12 1,-0.1 -1,-0.2 -3,-0.1 7,-0.1 0.882 91.7 128.8 52.9 52.6 2.3 0.7 30.7 48 49 X S < + 0 0 55 -3,-0.8 2,-0.4 2,-0.1 -1,-0.1 0.264 16.3 131.1-124.8 12.1 2.9 -0.4 27.1 49 50 X V > - 0 0 36 1,-0.1 3,-1.7 -4,-0.1 5,-0.1 -0.558 64.3-116.4 -70.1 121.7 6.1 1.3 26.0 50 51 X E T 3 S+ 0 0 195 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.360 93.3 13.2 -63.3 132.0 8.2 -1.5 24.4 51 52 X G T 3 S+ 0 0 77 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.315 92.9 124.9 89.2 -8.6 11.5 -2.1 26.3 52 53 X F < - 0 0 47 -3,-1.7 2,-1.1 1,-0.0 -1,-0.3 -0.715 59.0-134.9 -88.2 137.6 10.6 -0.2 29.4 53 54 X K - 0 0 162 -2,-0.4 2,-0.1 -3,-0.1 -3,-0.0 -0.734 30.5-169.8 -92.8 91.6 10.8 -1.9 32.8 54 55 X Y - 0 0 37 -2,-1.1 2,-0.1 1,-0.1 43,-0.0 -0.319 24.0-101.3 -77.3 161.2 7.6 -0.8 34.6 55 56 X G > - 0 0 13 1,-0.1 4,-1.7 -2,-0.1 5,-0.2 -0.355 31.4-108.7 -76.9 163.8 6.9 -1.4 38.2 56 57 X D H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.850 112.4 57.8 -61.8 -38.1 4.6 -4.2 39.5 57 58 X G H > S+ 0 0 1 39,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.936 108.9 41.2 -61.4 -50.7 1.8 -1.8 40.5 58 59 X I H > S+ 0 0 17 38,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.861 113.9 53.9 -72.8 -30.1 1.2 -0.2 37.1 59 60 X L H X S+ 0 0 69 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.892 106.6 53.1 -66.4 -36.7 1.6 -3.5 35.3 60 61 X E H X S+ 0 0 58 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.925 106.5 52.2 -63.1 -43.3 -1.1 -4.9 37.5 61 62 X V H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.934 113.7 43.7 -54.1 -46.6 -3.4 -2.0 36.6 62 63 X A H < S+ 0 0 7 -4,-2.1 -2,-0.2 2,-0.2 6,-0.2 0.871 114.8 49.5 -68.5 -37.2 -2.7 -2.9 32.9 63 64 X E H < S+ 0 0 157 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.920 114.5 43.0 -67.4 -45.1 -3.2 -6.6 33.5 64 65 X K H < S+ 0 0 103 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.723 124.2 37.1 -76.5 -21.7 -6.4 -6.3 35.4 65 66 X N >< + 0 0 48 -4,-1.5 3,-2.1 -5,-0.3 -1,-0.3 -0.640 67.9 172.0-131.4 76.4 -7.8 -3.7 32.9 66 67 X P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.642 79.3 50.4 -64.2 -21.0 -6.6 -4.8 29.5 67 68 X D T 3 S+ 0 0 137 -22,-0.1 2,-0.3 2,-0.0 -5,-0.1 0.352 83.7 120.0 -97.3 2.7 -8.7 -2.2 27.6 68 69 X M < + 0 0 38 -3,-2.1 -22,-1.6 -6,-0.2 2,-0.3 -0.555 35.2 174.4 -79.3 131.5 -7.5 0.7 29.8 69 70 X V B -B 45 0B 65 -2,-0.3 2,-0.6 -24,-0.3 -24,-0.3 -0.856 42.7 -85.8-124.6 162.7 -5.7 3.6 28.0 70 71 X W - 0 0 15 -26,-2.5 -27,-2.9 -29,-0.4 2,-0.2 -0.599 46.2-172.6 -74.8 115.6 -4.6 7.0 29.4 71 72 X S > - 0 0 45 -2,-0.6 4,-2.5 -29,-0.2 5,-0.2 -0.671 37.9-108.9 -95.8 163.6 -7.4 9.5 29.3 72 73 X E H > S+ 0 0 106 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.911 119.2 52.3 -60.2 -39.4 -6.8 13.2 30.1 73 74 X A H > S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 111.5 45.4 -62.7 -45.8 -8.8 12.8 33.4 74 75 X D H > S+ 0 0 33 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.873 110.3 53.6 -66.3 -40.3 -6.7 9.8 34.5 75 76 X L H X S+ 0 0 7 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.914 107.2 52.8 -60.1 -42.0 -3.4 11.5 33.6 76 77 X I H X S+ 0 0 54 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.940 112.6 43.9 -58.6 -48.5 -4.4 14.5 35.7 77 78 X E H X S+ 0 0 91 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.934 114.9 48.6 -62.7 -47.0 -5.0 12.2 38.7 78 79 X Y H < S+ 0 0 30 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.913 111.6 47.9 -62.3 -43.7 -1.8 10.2 38.2 79 80 X V H < S+ 0 0 28 -4,-2.8 24,-2.1 1,-0.2 -1,-0.2 0.776 108.1 57.6 -73.6 -20.4 0.5 13.2 37.8 80 81 X T H < S- 0 0 48 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.922 136.2 -13.2 -70.8 -42.3 -1.0 14.8 40.9 81 82 X D X - 0 0 60 -4,-1.7 4,-1.3 21,-0.2 -1,-0.2 -0.637 64.6-169.2-164.5 92.9 -0.1 11.8 43.1 82 83 X P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.864 79.7 54.7 -59.2 -44.7 1.0 8.5 41.5 83 84 X K H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.957 108.3 45.2 -62.7 -54.8 0.9 6.1 44.4 84 85 X P H > S+ 0 0 64 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.852 110.4 57.8 -58.6 -30.7 -2.6 6.6 45.6 85 86 X W H X S+ 0 0 5 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.943 107.8 46.0 -59.1 -47.7 -3.7 6.4 42.0 86 87 X L H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 6,-0.4 0.906 112.0 51.3 -61.4 -40.9 -2.1 2.9 41.8 87 88 X V H X S+ 0 0 40 -4,-2.4 4,-2.4 1,-0.2 5,-0.4 0.912 110.2 50.1 -61.8 -44.4 -3.8 2.0 45.1 88 89 X E H < S+ 0 0 117 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.884 116.1 41.0 -57.5 -44.3 -7.1 3.1 43.8 89 90 X K H < S+ 0 0 54 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.831 124.2 34.9 -80.5 -33.2 -6.8 1.1 40.6 90 91 X T H < S- 0 0 8 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.745 93.1-135.5 -89.8 -27.6 -5.3 -2.1 42.0 91 92 X G < + 0 0 68 -4,-2.4 2,-0.6 -5,-0.4 -3,-0.1 0.665 67.0 125.2 75.2 19.2 -7.1 -2.1 45.3 92 93 X D > - 0 0 59 -5,-0.4 3,-2.1 -6,-0.4 -1,-0.2 -0.927 52.4-160.6-117.9 109.4 -3.8 -2.9 46.8 93 94 X S T 3 S+ 0 0 100 -2,-0.6 -1,-0.1 1,-0.3 -6,-0.1 0.748 95.9 53.2 -58.9 -21.9 -2.6 -0.7 49.6 94 95 X A T 3 S+ 0 0 67 -7,-0.1 -1,-0.3 -3,-0.1 -37,-0.1 0.182 75.5 152.9 -99.9 16.6 0.9 -2.0 49.0 95 96 X A < - 0 0 6 -3,-2.1 2,-0.3 1,-0.1 -8,-0.1 -0.185 43.1-127.4 -51.7 130.3 1.0 -1.3 45.2 96 97 X K - 0 0 143 -10,-0.1 -39,-1.2 2,-0.0 -38,-0.5 -0.659 28.3-175.0 -88.2 137.6 4.6 -0.9 44.1 97 98 X T - 0 0 42 -2,-0.3 -14,-0.0 -40,-0.1 3,-0.0 -0.985 29.1-148.7-132.8 143.2 5.6 2.3 42.1 98 99 X K S S+ 0 0 130 -2,-0.4 2,-0.3 1,-0.1 -1,-0.0 0.249 87.7 33.0 -88.1 9.9 8.9 3.3 40.5 99 100 X K - 0 0 65 1,-0.1 -1,-0.1 2,-0.0 -16,-0.0 -0.968 43.6-179.3-163.7 145.4 8.1 6.9 41.2 100 101 X T + 0 0 86 -2,-0.3 -17,-0.1 -18,-0.1 -1,-0.1 0.294 36.8 143.2-125.3 1.9 6.3 9.2 43.7 101 102 X F - 0 0 107 -20,-0.1 2,-0.4 1,-0.1 -2,-0.0 -0.249 33.9-158.4 -51.3 125.2 6.9 12.6 42.1 102 103 X K - 0 0 111 -21,-0.1 2,-0.6 -20,-0.1 -22,-0.2 -0.895 13.8-155.1-112.2 136.7 3.8 14.8 42.6 103 104 X L - 0 0 12 -24,-2.1 4,-0.1 -2,-0.4 3,-0.0 -0.944 11.5-174.6-109.5 109.3 2.8 17.8 40.6 104 105 X G + 0 0 67 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.764 62.0 23.1 -79.6 -31.2 0.7 20.0 42.8 105 106 X K S S+ 0 0 137 1,-0.1 -1,-0.0 2,-0.1 0, 0.0 -0.926 108.9 29.4-134.5 164.0 -0.4 22.7 40.4 106 107 X N > + 0 0 51 -2,-0.3 4,-1.9 3,-0.1 5,-0.1 0.746 66.7 142.8 64.2 29.4 -0.9 23.2 36.6 107 108 X Q H > + 0 0 38 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.888 68.9 52.1 -68.1 -42.5 -1.7 19.5 36.0 108 109 X A H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -106,-0.3 0.862 108.6 53.9 -61.8 -32.0 -4.3 20.2 33.4 109 110 X D H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -102,-0.4 0.940 107.8 47.3 -68.2 -47.7 -1.7 22.4 31.6 110 111 X V H X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.914 112.7 50.6 -58.7 -40.0 0.9 19.6 31.5 111 112 X V H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.885 107.1 54.0 -68.5 -36.5 -1.7 17.2 30.2 112 113 X A H X S+ 0 0 19 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.902 108.2 50.7 -59.2 -41.6 -2.7 19.7 27.5 113 114 X F H X S+ 0 0 1 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.950 111.1 47.1 -62.2 -49.3 1.0 19.8 26.4 114 115 X L H < S+ 0 0 9 -4,-2.4 -74,-0.4 1,-0.2 -72,-0.3 0.857 108.9 54.9 -60.6 -37.5 1.1 16.0 26.2 115 116 X A H >< S+ 0 0 28 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.889 101.4 59.0 -63.6 -37.8 -2.2 15.9 24.3 116 117 X Q H 3< S+ 0 0 111 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.866 108.4 45.3 -56.2 -38.3 -0.6 18.3 21.7 117 118 X H T 3< S+ 0 0 40 -4,-1.2 -77,-2.5 -3,-0.2 -1,-0.3 -0.094 99.2 72.8-102.3 30.8 2.1 15.7 21.2 118 119 X S X + 0 0 7 -3,-1.9 3,-1.5 -79,-0.2 -1,-0.2 -0.597 59.6 159.6-128.5 65.5 -0.4 12.8 21.0 119 120 X P T 3 + 0 0 84 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.742 68.9 49.5 -68.4 -22.9 -1.8 13.8 17.5 120 121 X D T 3 0 0 153 -78,-0.1 -3,-0.0 -3,-0.1 -77,-0.0 0.227 360.0 360.0-100.8 12.9 -3.3 10.4 16.6 121 122 X A < 0 0 93 -3,-1.5 -78,-0.1 -6,-0.2 -3,-0.1 -0.316 360.0 360.0 -55.5 360.0 -5.1 10.0 19.9