==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-FEB-10 3LVL . COMPND 2 MOLECULE: CYSTEINE DESULFURASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.SHI,A.PROTEAU,A.MATTE,M.CYGLER,MONTREAL-KINGSTON BACTERIAL . 513 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 34 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 3 0 4 2 0 0 2 0 0 1 1 0 0 0 1 0 2 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 1 2 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 PARALLEL BRIDGES PER LADDER . 3 1 0 2 2 0 1 1 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 1 1 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 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 B M 0 0 109 0, 0.0 2,-0.1 0, 0.0 360,-0.0 0.000 360.0 360.0 360.0-165.2 -60.6 26.1 1.8 2 2 B K - 0 0 68 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.162 360.0-105.3 157.8 102.0 -58.9 24.0 4.4 3 3 B L S S+ 0 0 84 2,-0.1 2,-0.1 -2,-0.1 317,-0.1 -0.683 93.2 42.1 -95.3 148.5 -56.0 25.0 6.7 4 4 B P S S- 0 0 82 0, 0.0 2,-0.5 0, 0.0 316,-0.3 0.550 85.6-136.5 -78.9 155.3 -53.2 24.6 6.8 5 5 B I E -a 320 0A 0 314,-2.8 316,-2.8 -2,-0.1 2,-0.9 -0.634 16.5-128.1 -79.1 122.4 -52.6 24.9 3.1 6 6 B Y E +a 321 0A 77 -2,-0.5 3,-0.1 314,-0.2 316,-0.1 -0.588 46.2 151.3 -77.3 105.4 -50.3 22.2 1.8 7 7 B L + 0 0 0 314,-1.2 345,-2.6 -2,-0.9 316,-0.2 -0.134 47.8 91.9-121.6 35.2 -47.5 23.9 -0.2 8 8 B D B >> +b 352 0B 28 343,-0.2 4,-1.4 314,-0.2 3,-1.4 -0.215 34.1 135.3-124.4 42.2 -44.8 21.3 0.4 9 9 B Y T 34 + 0 0 12 343,-1.4 -1,-0.1 1,-0.3 344,-0.1 0.717 68.7 66.0 -63.7 -21.1 -45.2 18.9 -2.6 10 10 B S T 34 S+ 0 0 4 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.753 99.9 50.3 -73.4 -24.8 -41.4 18.9 -3.0 11 11 B A T <4 S- 0 0 45 -3,-1.4 2,-0.3 1,-0.4 -2,-0.2 0.911 135.1 -34.0 -74.7 -45.6 -41.1 17.1 0.4 12 12 B T < - 0 0 30 -4,-1.4 -1,-0.4 194,-0.1 194,-0.2 -0.960 55.4-132.6-169.2 158.7 -43.7 14.5 -0.7 13 13 B T - 0 0 4 192,-2.3 2,-0.2 -2,-0.3 194,-0.1 -0.935 30.3-105.7-122.2 146.7 -46.9 14.1 -2.8 14 14 B P - 0 0 51 0, 0.0 2,-0.2 0, 0.0 -5,-0.0 -0.507 43.5-104.5 -70.3 129.5 -50.2 12.4 -1.9 15 15 B V - 0 0 54 -2,-0.2 194,-0.2 1,-0.1 5,-0.1 -0.357 37.5-117.5 -58.6 116.9 -50.7 9.1 -3.7 16 16 B D >> - 0 0 3 192,-1.6 4,-1.8 -2,-0.2 3,-0.8 -0.308 21.4-120.8 -54.9 136.1 -53.2 9.5 -6.5 17 17 B P H 3> S+ 0 0 78 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.830 113.3 53.7 -50.6 -41.7 -56.3 7.4 -5.9 18 18 B R H 3> S+ 0 0 67 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.874 107.6 51.8 -62.7 -38.0 -55.8 5.5 -9.1 19 19 B V H <> S+ 0 0 1 -3,-0.8 4,-1.1 2,-0.2 -1,-0.2 0.906 113.0 45.4 -62.0 -42.5 -52.3 4.6 -8.0 20 20 B A H >X S+ 0 0 28 -4,-1.8 4,-1.8 1,-0.2 3,-0.6 0.944 107.8 52.5 -70.5 -50.8 -53.5 3.3 -4.7 21 21 B E H 3< S+ 0 0 126 -4,-2.7 4,-0.3 1,-0.3 -1,-0.2 0.719 109.4 52.7 -63.7 -20.0 -56.5 1.2 -5.8 22 22 B K H >< S+ 0 0 87 -4,-1.0 3,-0.7 -5,-0.2 -1,-0.3 0.827 106.0 53.9 -79.7 -34.2 -54.1 -0.6 -8.3 23 23 B M H X< S+ 0 0 21 -4,-1.1 3,-1.9 -3,-0.6 -2,-0.2 0.851 97.2 65.9 -65.7 -35.9 -51.7 -1.3 -5.4 24 24 B M G >X S+ 0 0 103 -4,-1.8 3,-0.7 1,-0.3 4,-0.7 0.744 90.2 65.1 -59.3 -25.6 -54.4 -3.0 -3.4 25 25 B Q G <4 S+ 0 0 96 -3,-0.7 7,-3.1 -4,-0.3 -1,-0.3 0.364 99.4 54.0 -83.4 6.3 -54.8 -5.8 -5.9 26 26 B F G <4 S+ 0 0 28 -3,-1.9 221,-0.5 5,-0.2 -1,-0.3 -0.244 102.0 54.3-132.9 45.1 -51.2 -7.0 -5.1 27 27 B M T <4 S+ 0 0 95 -3,-0.7 -2,-0.1 1,-0.1 -3,-0.1 0.523 83.9 64.8-139.5 -63.4 -51.3 -7.4 -1.4 28 28 B T S >< S- 0 0 71 -4,-0.7 3,-0.6 1,-0.1 5,-0.3 -0.045 87.9 -97.7 -74.7 176.1 -54.0 -9.6 0.2 29 29 B M T 3 S+ 0 0 151 1,-0.2 4,-0.1 3,-0.1 -1,-0.1 0.736 123.9 47.5 -66.7 -25.6 -54.5 -13.4 -0.2 30 30 B D T 3 S+ 0 0 150 2,-0.1 -1,-0.2 3,-0.0 -5,-0.0 0.605 108.6 64.9 -92.3 -13.8 -57.2 -12.9 -2.8 31 31 B G S < S- 0 0 16 -3,-0.6 2,-1.0 -7,-0.1 -5,-0.2 0.006 111.0 -73.9 -86.2-161.2 -55.1 -10.4 -4.8 32 32 B T + 0 0 32 -7,-3.1 -3,-0.1 1,-0.2 -2,-0.1 -0.739 68.2 148.1-100.5 84.1 -51.8 -11.0 -6.6 33 33 B F + 0 0 86 -2,-1.0 -1,-0.2 -5,-0.3 -7,-0.1 0.366 27.8 128.3-100.2 1.3 -49.5 -11.2 -3.6 34 34 B G - 0 0 7 9,-0.3 212,-0.2 1,-0.1 10,-0.1 0.075 63.5-107.5 -62.5 167.8 -47.0 -13.6 -5.0 35 35 B N > - 0 0 60 1,-0.1 3,-1.3 210,-0.1 13,-0.1 -0.882 15.6-149.3 -98.4 120.0 -43.2 -13.4 -5.2 36 36 B P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 12,-0.1 0.794 97.3 63.8 -54.9 -31.1 -41.9 -12.7 -8.7 37 37 B A T 3 S+ 0 0 41 207,-0.1 2,-1.4 1,-0.1 7,-0.1 0.797 77.2 92.5 -66.3 -31.2 -38.7 -14.7 -7.8 38 38 B S X + 0 0 42 -3,-1.3 3,-0.6 1,-0.2 10,-0.1 -0.520 54.4 175.4 -64.5 93.6 -40.8 -17.8 -7.3 39 39 B R T 3 + 0 0 202 -2,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.069 60.3 72.1 -92.8 24.8 -40.3 -19.1 -10.9 40 40 B S T 3 S+ 0 0 99 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.294 94.2 30.5-126.3 9.3 -42.1 -22.4 -10.3 41 41 B H S X> S- 0 0 72 -3,-0.6 4,-1.6 1,-0.1 3,-0.5 -0.994 82.5 -92.1-164.0 167.7 -45.8 -21.6 -10.0 42 42 B R H 3> S+ 0 0 121 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.862 115.1 58.7 -49.9 -48.4 -48.8 -19.4 -11.0 43 43 B F H 3> S+ 0 0 74 1,-0.3 4,-1.7 2,-0.2 -9,-0.3 0.895 108.7 43.7 -52.1 -48.7 -48.4 -17.0 -8.1 44 44 B G H <> S+ 0 0 0 -3,-0.5 4,-1.8 1,-0.2 -1,-0.3 0.821 114.7 51.6 -67.8 -31.3 -44.8 -16.0 -8.9 45 45 B W H X S+ 0 0 132 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.928 107.4 49.1 -72.8 -47.9 -45.7 -15.7 -12.6 46 46 B Q H X S+ 0 0 70 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.907 114.3 46.5 -61.6 -41.8 -48.8 -13.4 -12.2 47 47 B A H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.924 110.4 55.0 -61.1 -44.5 -46.7 -11.1 -9.9 48 48 B E H X S+ 0 0 79 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.875 106.2 50.5 -57.5 -41.3 -43.9 -11.3 -12.4 49 49 B E H X S+ 0 0 125 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.886 108.6 51.2 -66.3 -39.8 -46.2 -10.1 -15.3 50 50 B A H X S+ 0 0 7 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.874 107.6 54.6 -65.3 -36.7 -47.5 -7.1 -13.2 51 51 B V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.923 107.2 49.8 -60.7 -46.3 -43.9 -6.1 -12.5 52 52 B D H X S+ 0 0 76 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.933 106.9 54.4 -60.4 -48.7 -43.0 -6.1 -16.2 53 53 B I H X S+ 0 0 99 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.928 113.0 43.2 -49.0 -51.1 -46.0 -3.9 -17.0 54 54 B A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.901 109.3 56.5 -64.5 -42.7 -44.9 -1.4 -14.5 55 55 B R H X S+ 0 0 20 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.884 113.0 42.6 -56.8 -39.2 -41.3 -1.6 -15.6 56 56 B N H X S+ 0 0 56 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.884 108.6 57.4 -73.3 -41.5 -42.4 -0.7 -19.1 57 57 B Q H X S+ 0 0 38 -4,-2.5 4,-1.0 -5,-0.2 -2,-0.2 0.908 111.6 44.2 -54.5 -43.3 -44.8 2.0 -17.9 58 58 B I H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 3,-0.3 0.906 113.4 50.4 -67.5 -43.8 -41.9 3.7 -16.2 59 59 B A H >X>S+ 0 0 0 -4,-1.7 5,-2.3 -5,-0.2 4,-1.0 0.887 106.1 55.0 -62.9 -41.1 -39.6 3.2 -19.3 60 60 B D H 3<5S+ 0 0 98 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.807 101.7 58.9 -64.2 -30.0 -42.2 4.6 -21.7 61 61 B L H 3<5S+ 0 0 18 -4,-1.0 129,-0.5 -3,-0.3 -1,-0.2 0.767 117.6 30.5 -71.1 -25.7 -42.4 7.8 -19.7 62 62 B V H <<5S- 0 0 0 -3,-0.8 130,-3.0 -4,-0.7 131,-0.2 0.366 110.7-112.7-116.1 0.8 -38.6 8.5 -20.1 63 63 B G T <5S+ 0 0 28 -4,-1.0 2,-0.3 128,-0.3 -3,-0.2 0.908 70.4 133.5 68.8 44.2 -38.1 6.9 -23.5 64 64 B A < - 0 0 15 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.1 -0.765 64.5 -98.4-120.8 165.9 -35.9 4.1 -22.2 65 65 B D > - 0 0 47 -2,-0.3 3,-2.7 1,-0.1 4,-0.3 -0.744 33.2-129.7 -81.4 127.8 -35.6 0.3 -22.7 66 66 B P G > S+ 0 0 28 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.747 108.0 63.7 -51.5 -27.2 -37.4 -1.4 -19.8 67 67 B R G 3 S+ 0 0 104 1,-0.3 151,-0.0 3,-0.0 -11,-0.0 0.770 94.0 61.0 -67.5 -26.3 -34.2 -3.6 -19.3 68 68 B E G < S+ 0 0 17 -3,-2.7 150,-2.4 149,-0.1 2,-0.7 0.481 85.4 99.8 -77.1 -3.0 -32.3 -0.4 -18.5 69 69 B I E < -F 217 0C 2 -3,-1.3 2,-0.5 -4,-0.3 148,-0.2 -0.783 53.2-174.0 -93.8 113.9 -34.7 0.1 -15.5 70 70 B V E -F 216 0C 1 146,-2.0 146,-2.5 -2,-0.7 2,-0.3 -0.917 19.6-132.7-107.9 126.8 -33.3 -1.0 -12.2 71 71 B F E +F 215 0C 6 -2,-0.5 144,-0.3 144,-0.2 2,-0.2 -0.586 31.5 165.6 -83.6 136.2 -35.6 -1.0 -9.2 72 72 B T E -F 214 0C 4 142,-2.5 142,-1.7 -2,-0.3 3,-0.1 -0.650 49.7-101.2-129.3-169.4 -34.5 0.5 -5.9 73 73 B S S S- 0 0 56 1,-0.3 2,-0.3 140,-0.3 3,-0.1 0.549 91.2 -42.7 -92.2 -11.9 -36.1 1.6 -2.6 74 74 B G S > S- 0 0 12 138,-0.2 4,-2.3 139,-0.1 -1,-0.3 -0.963 71.3 -67.4 167.0 179.9 -36.1 5.3 -3.6 75 75 B A H > S+ 0 0 13 -2,-0.3 4,-2.9 138,-0.2 5,-0.2 0.790 124.1 60.3 -66.3 -28.2 -34.1 8.1 -5.2 76 76 B T H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.968 108.6 41.6 -63.6 -51.8 -31.7 8.1 -2.3 77 77 B E H > S+ 0 0 29 2,-0.2 4,-3.8 1,-0.2 5,-0.2 0.913 114.0 53.9 -61.7 -42.0 -30.6 4.5 -3.0 78 78 B S H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.958 109.1 47.7 -54.8 -53.2 -30.6 5.2 -6.7 79 79 B D H X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 5,-0.3 0.907 115.1 46.7 -54.8 -44.6 -28.3 8.1 -6.2 80 80 B N H X S+ 0 0 43 -4,-2.5 4,-2.6 -5,-0.2 5,-0.5 0.955 114.9 45.5 -61.7 -51.4 -26.1 5.9 -4.0 81 81 B L H X S+ 0 0 4 -4,-3.8 4,-2.9 3,-0.2 5,-0.4 0.948 113.8 49.8 -56.9 -52.9 -26.1 3.0 -6.4 82 82 B A H X S+ 0 0 0 -4,-3.4 4,-1.8 -5,-0.2 5,-0.3 0.952 119.4 33.2 -51.7 -61.7 -25.4 5.2 -9.5 83 83 B I H X S+ 0 0 0 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.834 125.1 42.5 -71.7 -34.7 -22.5 7.2 -8.1 84 84 B K H X S+ 0 0 43 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.933 113.6 50.3 -76.9 -47.5 -21.0 4.4 -6.0 85 85 B G H X S+ 0 0 0 -4,-2.9 142,-1.3 -5,-0.5 4,-1.3 0.920 116.3 40.1 -56.2 -49.5 -21.5 1.5 -8.5 86 86 B A H X S+ 0 0 1 -4,-1.8 4,-3.3 -5,-0.4 -1,-0.2 0.888 112.8 54.7 -70.0 -41.3 -19.8 3.4 -11.4 87 87 B A H < S+ 0 0 0 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.896 112.2 43.8 -60.9 -42.3 -17.0 4.9 -9.3 88 88 B N H < S+ 0 0 32 -4,-2.3 -1,-0.2 2,-0.2 3,-0.2 0.768 117.8 47.0 -73.9 -26.2 -16.0 1.5 -8.0 89 89 B F H >< S+ 0 0 63 -4,-1.3 3,-0.6 -5,-0.2 -2,-0.2 0.968 120.1 33.3 -76.9 -58.5 -16.3 0.0 -11.5 90 90 B Y G >X S+ 0 0 59 -4,-3.3 4,-1.0 1,-0.2 3,-0.7 0.098 84.6 114.1 -88.7 24.7 -14.5 2.6 -13.6 91 91 B Q G 34 + 0 0 68 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.762 66.3 63.8 -68.5 -25.6 -12.0 3.5 -10.8 92 92 B K G <4 S+ 0 0 208 -3,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.832 101.0 51.2 -69.8 -31.1 -9.0 2.1 -12.8 93 93 B K T <4 S- 0 0 78 -3,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.842 132.5 -42.3 -71.4 -34.2 -9.5 4.7 -15.5 94 94 B G < - 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0 0 136 -4,-1.1 -3,-0.2 -3,-0.7 -4,-0.1 0.969 36.0-165.6 55.3 58.1 -41.1 27.7 29.7 488 99 A L < - 0 0 20 -5,-1.9 -1,-0.2 1,-0.1 5,-0.1 -0.576 15.1-125.0 -81.0 134.2 -38.1 27.9 27.3 489 100 A P > - 0 0 58 0, 0.0 3,-1.0 0, 0.0 4,-0.1 -0.429 34.7 -98.7 -71.3 152.4 -36.5 24.7 26.0 490 101 A P G > S+ 0 0 117 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.779 122.1 56.4 -38.2 -42.1 -32.7 24.3 26.5 491 102 A V G > S+ 0 0 113 1,-0.3 3,-0.7 2,-0.1 -3,-0.0 0.918 107.5 44.6 -63.6 -47.3 -32.1 25.4 22.9 492 103 A K G X S+ 0 0 32 -3,-1.0 3,-0.9 1,-0.2 4,-0.3 0.064 80.5 107.5 -88.7 25.9 -33.9 28.7 23.1 493 104 A I G X> + 0 0 60 -3,-1.2 3,-1.5 1,-0.2 4,-1.3 0.812 65.1 70.7 -69.9 -29.5 -32.2 29.5 26.5 494 105 A H H <> S+ 0 0 60 -3,-0.7 4,-1.9 1,-0.3 -1,-0.2 0.699 85.8 68.8 -60.9 -19.3 -30.0 32.1 24.8 495 106 A C H <> S+ 0 0 0 -3,-0.9 4,-2.1 2,-0.2 -1,-0.3 0.819 99.9 47.2 -71.3 -31.1 -33.1 34.3 24.4 496 107 A S H <> S+ 0 0 0 -3,-1.5 4,-2.9 -4,-0.3 5,-0.3 0.985 109.6 50.5 -69.4 -62.7 -33.3 34.8 28.1 497 108 A I H X S+ 0 0 78 -4,-1.3 4,-2.5 1,-0.3 -2,-0.2 0.874 115.1 46.9 -38.5 -47.8 -29.6 35.7 28.6 498 109 A L H X S+ 0 0 7 -4,-1.9 4,-2.6 2,-0.2 -1,-0.3 0.922 108.7 52.4 -65.9 -47.4 -30.1 38.2 25.7 499 110 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.924 112.4 46.6 -54.2 -46.7 -33.3 39.6 27.1 500 111 A E H X S+ 0 0 66 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.928 109.3 54.3 -61.7 -47.1 -31.5 40.3 30.4 501 112 A D H X S+ 0 0 75 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.911 107.8 52.5 -48.9 -45.9 -28.5 41.7 28.5 502 113 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.922 110.9 42.5 -62.9 -50.9 -30.9 44.1 26.8 503 114 A I H X S+ 0 0 5 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.921 115.7 49.9 -63.5 -43.9 -32.6 45.5 29.9 504 115 A K H X S+ 0 0 34 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.858 110.7 50.7 -62.5 -36.1 -29.3 45.8 31.8 505 116 A A H X S+ 0 0 37 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.863 108.6 51.1 -71.0 -37.0 -27.7 47.6 28.8 506 117 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -87,-0.3 -2,-0.2 0.917 110.6 49.4 -65.8 -44.3 -30.6 50.1 28.6 507 118 A I H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 3,-0.5 0.968 108.2 52.3 -56.7 -56.0 -30.2 50.9 32.3 508 119 A A H X S+ 0 0 58 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.840 107.1 55.0 -50.3 -37.4 -26.5 51.4 32.1 509 120 A D H X S+ 0 0 43 -4,-1.6 4,-1.2 2,-0.2 -1,-0.3 0.914 106.7 49.3 -65.1 -43.9 -27.1 53.8 29.3 510 121 A Y H >< S+ 0 0 16 -4,-1.8 3,-0.8 -3,-0.5 -2,-0.2 0.953 111.5 48.5 -59.4 -50.4 -29.5 55.9 31.4 511 122 A K H 3< S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.853 106.7 57.9 -58.7 -36.0 -27.0 56.1 34.3 512 123 A S H 3< S+ 0 0 67 -4,-1.9 2,-1.3 -5,-0.3 3,-0.5 0.803 94.3 70.6 -66.4 -29.9 -24.2 57.1 31.9 513 124 A K S << S+ 0 0 73 -4,-1.2 -1,-0.2 -3,-0.8 -4,-0.0 -0.602 78.3 69.5 -94.8 77.7 -26.1 60.2 30.7 514 125 A R 0 0 146 -2,-1.3 -1,-0.2 -3,-0.1 -2,-0.1 0.394 360.0 360.0-179.9 21.0 -26.0 62.6 33.6 515 126 A E 0 0 129 -3,-0.5 -2,-0.3 0, 0.0 -3,-0.1 0.642 360.0 360.0-122.3 360.0 -23.2 62.6 32.8