==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JUN-12 4FQD . COMPND 2 MOLECULE: NIKO PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES TENDAE; . AUTHOR G.OBERDORFER,K.GRUBER . 871 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31587.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 669 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 100 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.3 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 2 0 0 7 4 1 2 2 2 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 4 6 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 . 4 0 3 12 3 4 2 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 . 0 2 8 2 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 11 A P 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 33.3 0.9 67.6 66.2 2 12 A G + 0 0 49 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.810 360.0 141.1 71.4 32.0 -1.5 67.4 63.3 3 13 A E - 0 0 52 1,-0.1 433,-1.8 406,-0.0 -1,-0.2 -0.875 58.6 -95.9-119.3 138.0 1.2 66.0 61.1 4 14 A P E -A 435 0A 72 0, 0.0 405,-0.5 0, 0.0 431,-0.3 -0.192 44.4-172.3 -57.9 133.7 1.0 63.2 58.5 5 15 A L E -A 434 0A 18 429,-1.7 429,-1.9 403,-0.1 2,-0.5 -0.788 24.9-129.2-120.4 163.0 1.9 59.7 59.7 6 16 A L E -AB 433 407A 0 401,-1.7 401,-1.9 -2,-0.3 2,-0.8 -0.980 20.2-153.6-109.1 122.0 2.5 56.2 58.2 7 17 A E E -AB 432 406A 33 425,-3.2 425,-2.1 -2,-0.5 2,-0.5 -0.847 16.6-166.1 -98.8 106.8 0.5 53.5 60.0 8 18 A I E -AB 431 405A 0 397,-3.6 397,-2.5 -2,-0.8 2,-0.6 -0.810 18.8-175.0-102.8 127.0 2.3 50.2 59.5 9 19 A H E -AB 430 404A 42 421,-2.5 421,-0.5 -2,-0.5 3,-0.3 -0.827 23.1-177.0-115.0 89.9 0.8 46.8 60.2 10 20 A G + 0 0 11 393,-1.4 390,-0.2 391,-0.6 389,-0.2 -0.130 47.1 83.5 -81.0 178.8 3.7 44.4 59.7 11 21 A G + 0 0 49 388,-2.5 2,-0.4 1,-0.4 -1,-0.2 0.289 66.0 117.9 107.4 -6.5 3.8 40.6 59.8 12 22 A N - 0 0 82 387,-0.4 -1,-0.4 -3,-0.3 2,-0.3 -0.767 64.4-123.2 -96.6 138.7 2.5 40.1 56.3 13 23 A R - 0 0 136 -2,-0.4 245,-0.2 -3,-0.1 2,-0.2 -0.625 23.7-136.5 -81.8 133.5 4.6 38.4 53.6 14 24 A L B +d 258 0B 3 243,-2.3 245,-1.4 -2,-0.3 246,-0.6 -0.611 27.9 168.8 -89.3 148.5 5.3 40.3 50.4 15 25 A S + 0 0 64 412,-2.2 2,-0.3 -2,-0.2 247,-0.1 -0.989 27.4 56.9-156.5 153.1 5.1 38.8 47.0 16 26 A G S S- 0 0 48 -2,-0.3 247,-1.0 245,-0.2 2,-0.3 -0.902 77.2 -54.0 128.4-157.1 5.1 39.9 43.3 17 27 A A E -e 263 0C 53 -2,-0.3 2,-0.4 245,-0.1 247,-0.2 -0.942 37.2-158.2-126.7 148.3 7.4 41.9 41.1 18 28 A V E -e 264 0C 10 245,-2.3 247,-2.9 -2,-0.3 2,-0.5 -0.972 5.9-150.4-125.7 141.0 9.0 45.3 41.3 19 29 A R E -e 265 0C 161 -2,-0.4 247,-0.2 245,-0.2 2,-0.1 -0.938 18.4-136.9-110.8 132.3 10.4 47.6 38.6 20 30 A T - 0 0 2 245,-2.8 2,-0.2 -2,-0.5 249,-0.0 -0.412 10.0-134.1 -83.3 158.7 13.2 50.0 39.4 21 31 A S - 0 0 13 1,-0.2 222,-3.4 -2,-0.1 225,-0.1 -0.651 38.4 -77.8-103.7 168.3 13.5 53.6 38.4 22 32 A G B -H 242 0D 0 23,-0.3 2,-0.3 220,-0.3 -1,-0.2 -0.162 60.2 -79.4 -65.0 158.8 16.6 55.3 36.9 23 33 A F > - 0 0 0 218,-2.9 4,-2.0 1,-0.2 -1,-0.2 -0.424 33.7-151.2 -63.6 120.5 19.6 56.4 39.1 24 34 A K H > S+ 0 0 18 -2,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.883 96.5 47.7 -56.6 -43.3 18.7 59.7 40.8 25 35 A H H > S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.824 110.2 50.7 -74.2 -32.2 22.4 60.7 40.9 26 36 A S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.835 106.7 56.7 -70.8 -34.0 23.0 59.8 37.2 27 37 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.913 106.8 49.2 -60.5 -44.6 20.0 61.9 36.4 28 38 A V H X S+ 0 0 8 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.938 114.0 43.8 -60.4 -49.7 21.5 64.9 38.1 29 39 A T H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.820 113.4 51.3 -69.5 -32.3 24.9 64.6 36.3 30 40 A T H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.914 114.0 43.8 -69.3 -43.6 23.3 63.9 32.9 31 41 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.890 111.8 54.5 -66.2 -40.2 21.1 67.0 33.3 32 42 A A H < S+ 0 0 1 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.888 110.0 46.3 -60.8 -40.7 24.1 69.0 34.5 33 43 A A H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 4,-0.4 0.832 110.8 53.6 -69.6 -33.2 26.0 68.0 31.4 34 44 A A H >< S+ 0 0 1 -4,-1.7 3,-1.0 1,-0.2 45,-0.5 0.806 98.1 64.3 -70.2 -30.4 23.0 68.8 29.3 35 45 A A T 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.696 101.6 50.7 -67.6 -19.4 22.8 72.3 30.8 36 46 A T T < S+ 0 0 2 -3,-0.7 -1,-0.3 -4,-0.4 196,-0.2 0.608 102.9 79.4 -90.3 -14.4 26.2 73.1 29.3 37 47 A A < - 0 0 0 -3,-1.0 196,-0.2 -4,-0.4 42,-0.1 -0.312 68.4-141.9 -96.8 173.0 25.2 72.0 25.8 38 48 A S S S+ 0 0 54 194,-2.7 195,-0.1 191,-0.2 -3,-0.1 -0.113 77.2 85.7-119.8 31.2 23.3 73.4 22.9 39 49 A A S S- 0 0 2 -5,-0.3 40,-0.5 193,-0.2 2,-0.2 -0.966 83.3-101.5-135.3 148.4 21.7 70.1 22.0 40 50 A P E -I 78 0E 53 0, 0.0 196,-1.9 0, 0.0 2,-0.5 -0.463 31.7-156.0 -68.9 138.1 18.6 68.2 23.1 41 51 A V E -Ij 77 236E 0 36,-3.0 36,-1.9 194,-0.2 2,-0.7 -0.956 0.6-156.4-120.8 113.6 19.2 65.3 25.5 42 52 A R E -Ij 76 237E 94 194,-3.0 196,-2.8 -2,-0.5 2,-0.7 -0.793 8.5-164.4 -92.1 116.5 16.7 62.5 25.7 43 53 A I E -Ij 75 238E 0 32,-3.3 32,-2.9 -2,-0.7 3,-0.4 -0.855 5.6-168.2-107.3 103.9 16.8 60.7 29.0 44 54 A E E + j 0 239E 62 194,-3.0 196,-2.4 -2,-0.7 30,-0.2 -0.462 69.7 30.8 -86.0 163.2 15.1 57.3 29.1 45 55 A N S S+ 0 0 13 27,-0.5 -23,-0.3 28,-0.3 -1,-0.2 0.910 83.1 172.4 53.2 45.2 14.4 55.3 32.3 46 56 A C - 0 0 0 27,-2.8 -1,-0.2 -3,-0.4 2,-0.1 -0.749 31.5-121.6 -89.2 127.5 14.0 58.6 34.1 47 57 A P - 0 0 3 0, 0.0 2,-1.4 0, 0.0 5,-0.2 -0.392 12.7-130.3 -68.8 140.4 12.8 58.4 37.7 48 58 A D + 0 0 75 -2,-0.1 2,-0.2 4,-0.1 369,-0.0 -0.620 63.3 123.7 -90.2 75.9 9.6 60.3 38.6 49 59 A I S > S- 0 0 11 -2,-1.4 4,-1.4 366,-0.1 366,-0.2 -0.578 78.3 -84.7-124.5-173.6 11.0 62.0 41.7 50 60 A V H > S+ 0 0 43 364,-1.3 4,-2.5 1,-0.2 5,-0.2 0.902 121.7 57.3 -62.1 -44.1 11.4 65.5 43.2 51 61 A E H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.889 104.7 51.7 -55.0 -44.7 14.7 66.1 41.4 52 62 A T H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.906 111.9 46.0 -60.9 -44.4 13.1 65.5 38.0 53 63 A A H X S+ 0 0 49 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.932 116.1 43.8 -65.9 -47.9 10.3 68.0 38.6 54 64 A V H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.925 113.3 50.1 -66.4 -46.6 12.6 70.7 40.0 55 65 A L H X S+ 0 0 1 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.870 110.9 51.6 -58.6 -38.1 15.3 70.4 37.3 56 66 A G H X S+ 0 0 2 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.883 111.5 46.2 -65.3 -39.8 12.5 70.5 34.7 57 67 A E H X S+ 0 0 85 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.872 109.3 55.0 -70.8 -38.1 11.2 73.7 36.2 58 68 A I H X S+ 0 0 2 -4,-2.8 4,-1.0 2,-0.2 6,-0.2 0.908 107.9 50.0 -60.9 -43.2 14.6 75.2 36.5 59 69 A F H ><>S+ 0 0 0 -4,-2.0 5,-2.3 1,-0.2 3,-0.7 0.947 113.6 43.5 -60.1 -51.7 15.2 74.7 32.8 60 70 A R H ><5S+ 0 0 129 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.820 109.3 58.3 -65.9 -31.6 12.0 76.3 31.7 61 71 A A H 3<5S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.742 105.1 51.2 -69.9 -23.1 12.5 79.1 34.2 62 72 A A T <<5S- 0 0 8 -4,-1.0 21,-2.1 -3,-0.7 -1,-0.3 0.250 126.2-100.8 -97.2 10.8 15.7 80.0 32.4 63 73 A G T < 5S+ 0 0 38 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.426 87.5 120.3 86.2 -0.7 14.1 80.0 29.0 64 74 A A < - 0 0 13 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.125 65.3 -96.1 -85.5-173.9 15.4 76.5 28.2 65 75 A H E +K 78 0E 92 13,-2.7 13,-2.2 -3,-0.1 2,-0.3 -0.872 42.7 155.9-112.7 140.3 13.4 73.4 27.4 66 76 A A E +K 77 0E 5 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.854 4.9 167.9-162.2 125.0 12.3 70.5 29.6 67 77 A H E -K 76 0E 104 9,-2.1 9,-2.3 -2,-0.3 2,-0.6 -0.954 16.6-157.3-144.4 122.7 9.5 68.0 29.4 68 78 A Y E -K 75 0E 50 -2,-0.4 2,-1.0 7,-0.2 7,-0.2 -0.876 3.5-160.0-102.5 120.1 8.9 64.8 31.4 69 79 A D E >>> -K 74 0E 67 5,-3.0 5,-1.8 -2,-0.6 4,-0.8 -0.804 5.8-172.9 -98.6 94.5 6.7 62.1 29.8 70 80 A G T 345S+ 0 0 46 -2,-1.0 -1,-0.2 1,-0.2 -22,-0.1 0.670 76.2 70.3 -62.3 -18.8 5.6 60.0 32.8 71 81 A A T 345S+ 0 0 94 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.946 120.3 13.8 -65.0 -50.9 4.0 57.5 30.5 72 82 A D T <45S- 0 0 76 -3,-0.6 -27,-0.5 2,-0.1 -1,-0.2 0.198 107.2-117.6-109.6 13.8 7.3 56.1 29.2 73 83 A E T <5 + 0 0 29 -4,-0.8 -27,-2.8 1,-0.2 2,-0.5 0.912 59.6 154.7 52.7 53.1 9.4 57.8 31.9 74 84 A T E < - K 0 69E 4 -5,-1.8 -5,-3.0 -29,-0.2 2,-0.6 -0.950 30.3-162.1-119.1 125.5 11.3 60.0 29.4 75 85 A F E -IK 43 68E 2 -32,-2.9 -32,-3.3 -2,-0.5 2,-0.6 -0.918 8.2-172.2-108.2 116.1 13.0 63.3 30.3 76 86 A T E +IK 42 67E 40 -9,-2.3 -9,-2.1 -2,-0.6 2,-0.3 -0.933 10.0 172.2-112.5 118.5 13.8 65.6 27.4 77 87 A V E -IK 41 66E 0 -36,-1.9 -36,-3.0 -2,-0.6 2,-0.3 -0.852 13.7-174.8-122.1 157.8 15.9 68.7 28.0 78 88 A D E -IK 40 65E 36 -13,-2.2 -13,-2.7 -2,-0.3 3,-0.4 -0.852 10.7-173.9-155.3 115.5 17.5 71.3 25.8 79 89 A A > + 0 0 0 -45,-0.5 3,-1.0 -40,-0.5 -15,-0.1 0.099 56.9 109.0 -98.0 22.1 19.7 74.2 27.1 80 90 A S T 3 S+ 0 0 57 1,-0.2 -1,-0.2 -42,-0.1 -16,-0.1 0.934 83.6 38.6 -62.7 -48.8 20.0 75.8 23.6 81 91 A A T 3 S+ 0 0 69 -3,-0.4 2,-0.5 -18,-0.1 -1,-0.2 0.106 81.0 142.7 -93.3 22.0 17.9 78.8 24.4 82 92 A W < - 0 0 15 -3,-1.0 -19,-0.2 -47,-0.1 -3,-0.1 -0.512 31.1-173.5 -65.3 112.6 19.2 79.2 28.0 83 93 A D - 0 0 82 -21,-2.1 2,-0.5 -2,-0.5 -19,-0.1 -0.099 25.0 -91.7 -95.9-163.1 19.4 82.9 28.6 84 94 A R + 0 0 166 -2,-0.0 2,-0.3 24,-0.0 -21,-0.0 -0.950 64.5 102.5-124.2 117.8 20.8 85.0 31.4 85 95 A A S S- 0 0 64 -2,-0.5 2,-0.4 -23,-0.0 24,-0.0 -0.912 72.6 -48.6-165.0-172.2 18.8 86.2 34.4 86 96 A E - 0 0 178 -2,-0.3 26,-0.0 26,-0.1 -2,-0.0 -0.609 47.9-139.6 -75.7 129.3 18.1 85.6 38.1 87 97 A L - 0 0 42 -2,-0.4 5,-0.1 26,-0.1 -29,-0.1 -0.841 33.9-102.5 -90.0 121.5 17.4 82.0 38.9 88 98 A P > - 0 0 66 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.197 31.4-150.8 -46.3 111.0 14.6 81.7 41.5 89 99 A A H > S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.883 91.7 48.9 -57.9 -48.6 16.4 81.0 44.8 90 100 A D H 4 S+ 0 0 133 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.866 112.9 50.1 -61.9 -36.8 13.7 79.0 46.5 91 101 A L H >4 S+ 0 0 26 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.928 112.4 45.4 -66.2 -47.7 13.3 76.9 43.4 92 102 A V H >< S+ 0 0 27 -4,-2.4 3,-1.2 1,-0.2 6,-0.3 0.889 108.9 56.2 -63.4 -41.1 17.0 76.2 43.1 93 103 A G T 3< S+ 0 0 59 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.501 85.4 84.0 -73.2 -3.5 17.4 75.4 46.8 94 104 A R T < S+ 0 0 145 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.2 0.810 98.3 31.0 -67.8 -30.7 14.7 72.7 46.6 95 105 A I < - 0 0 15 -3,-1.2 3,-0.2 -4,-0.3 4,-0.1 -0.857 66.2-137.5-128.7 162.8 17.2 70.2 45.4 96 106 A H S > S+ 0 0 72 -2,-0.3 3,-1.6 1,-0.2 4,-0.2 0.735 97.3 71.8 -86.3 -26.4 20.9 69.4 45.8 97 107 A G G > S+ 0 0 3 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.627 78.6 76.4 -67.7 -14.2 21.4 68.6 42.2 98 108 A S G > S+ 0 0 11 -6,-0.3 3,-1.6 -3,-0.2 4,-0.3 0.704 78.8 74.8 -69.5 -19.2 21.1 72.2 41.2 99 109 A L G X S+ 0 0 20 -3,-1.6 3,-1.0 1,-0.3 -1,-0.2 0.792 88.7 58.1 -62.6 -29.6 24.6 72.7 42.5 100 110 A Y G < S+ 0 0 9 -3,-1.1 -1,-0.3 1,-0.2 4,-0.2 0.261 88.7 74.1 -89.6 12.8 26.1 71.0 39.5 101 111 A L G <> S+ 0 0 4 -3,-1.6 4,-2.2 1,-0.1 3,-0.5 0.563 74.3 86.8 -92.4 -14.6 24.4 73.6 37.2 102 112 A L H <> S+ 0 0 5 -3,-1.0 4,-2.8 -4,-0.3 5,-0.3 0.846 82.0 54.2 -54.7 -43.0 27.0 76.1 38.3 103 113 A P H > S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.886 111.5 47.0 -60.9 -35.6 29.6 75.1 35.6 104 114 A A H > S+ 0 0 4 -3,-0.5 4,-1.3 -4,-0.2 -2,-0.2 0.902 114.9 46.0 -68.9 -42.6 26.9 75.7 33.0 105 115 A L H X>S+ 0 0 10 -4,-2.2 4,-2.5 1,-0.2 5,-0.6 0.931 113.8 46.1 -66.2 -48.6 25.9 79.0 34.4 106 116 A V H <5S+ 0 0 2 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.747 116.3 46.6 -70.3 -22.8 29.3 80.5 34.9 107 117 A S H <5S+ 0 0 29 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.711 118.1 40.3 -91.1 -22.9 30.5 79.4 31.5 108 118 A R H <5S+ 0 0 51 -4,-1.3 -2,-0.2 -3,-0.2 -3,-0.2 0.806 133.3 18.1 -94.7 -35.6 27.4 80.7 29.6 109 119 A N T <5S- 0 0 28 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.1 0.563 91.0-127.4-113.7 -15.4 26.8 84.0 31.4 110 120 A G S + 0 0 47 2,-0.1 4,-1.5 3,-0.0 3,-0.3 0.187 54.1 106.1-139.6 9.5 29.5 73.4 48.7 121 142 A E H > S+ 0 0 126 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.855 80.3 53.3 -64.2 -36.2 32.9 74.9 49.7 122 143 A H H > S+ 0 0 15 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.812 104.3 56.9 -67.6 -31.6 34.8 72.2 47.8 123 144 A L H > S+ 0 0 1 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.895 106.5 48.9 -63.8 -41.7 32.8 72.9 44.7 124 145 A L H X S+ 0 0 27 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.821 108.4 54.0 -69.3 -32.0 33.9 76.6 44.8 125 146 A D H X S+ 0 0 73 -4,-1.4 4,-0.8 2,-0.2 -1,-0.2 0.864 108.8 49.0 -70.2 -36.9 37.5 75.5 45.2 126 147 A V H >< S+ 0 0 0 -4,-1.7 3,-1.1 2,-0.2 4,-0.4 0.960 114.0 43.8 -65.9 -52.7 37.4 73.3 42.1 127 148 A M H ><>S+ 0 0 1 -4,-2.2 5,-1.9 1,-0.3 3,-1.1 0.796 106.0 65.5 -62.0 -28.8 35.8 76.0 40.0 128 149 A G H ><5S+ 0 0 35 -4,-1.5 3,-1.1 1,-0.3 -1,-0.3 0.790 93.6 58.9 -63.8 -29.1 38.4 78.4 41.5 129 150 A R T <<5S+ 0 0 77 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.665 101.0 56.1 -74.6 -16.9 41.2 76.5 39.9 130 151 A F T < 5S- 0 0 0 -3,-1.1 20,-2.2 -4,-0.4 -1,-0.2 0.361 132.0 -91.6 -94.1 2.6 39.6 77.2 36.5 131 152 A G T < 5S+ 0 0 34 -3,-1.1 2,-0.3 1,-0.3 16,-0.3 0.478 75.3 149.5 103.6 5.0 39.7 80.9 37.2 132 153 A V < - 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0 0 13 -3,-1.3 8,-0.3 10,-0.1 3,-0.2 -0.930 66.8-141.4-120.9 148.4 39.2 63.3 50.0 161 182 A R S S+ 0 0 126 6,-1.4 2,-0.5 -2,-0.3 7,-0.2 0.940 97.5 32.8 -70.5 -48.4 39.3 63.0 53.8 162 183 A N B >> -Q 167 0H 20 5,-2.1 5,-1.6 180,-0.2 4,-1.3 -0.949 67.4-165.0-114.4 117.5 41.7 60.0 53.7 163 184 A K T 45S+ 0 0 89 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.1 0.870 90.2 47.7 -67.9 -39.9 44.1 59.9 50.8 164 185 A A T 45S+ 0 0 2 1,-0.2 -1,-0.2 640,-0.1 641,-0.1 0.893 118.3 40.0 -69.8 -41.2 45.1 56.2 51.2 165 186 A L T 45S- 0 0 5 2,-0.1 151,-0.4 636,-0.1 -1,-0.2 0.688 101.2-139.5 -79.0 -18.8 41.4 55.1 51.4 166 187 A M T <5 + 0 0 5 -4,-1.3 2,-0.3 1,-0.2 150,-0.3 0.952 55.8 131.8 55.1 54.8 40.5 57.6 48.7 167 188 A S B < +Q 162 0H 1 -5,-1.6 -5,-2.1 148,-0.2 -6,-1.4 -0.988 17.7 126.6-139.8 145.4 37.3 58.5 50.5 168 189 A G >> - 0 0 2 -2,-0.3 3,-0.7 -8,-0.3 4,-0.5 -0.900 59.0-108.3 174.3 158.6 35.5 61.7 51.5 169 190 A P T 34 S+ 0 0 26 0, 0.0 4,-0.3 0, 0.0 -9,-0.1 0.672 119.4 47.6 -73.8 -17.6 32.3 63.7 51.4 170 191 A C T 3> S+ 0 0 32 -11,-0.3 4,-1.6 2,-0.1 5,-0.2 0.436 91.6 86.7-100.3 -3.2 33.8 66.2 48.9 171 192 A Y H <> S+ 0 0 0 -3,-0.7 4,-1.7 2,-0.2 24,-0.2 0.980 90.3 38.0 -63.8 -63.0 35.2 63.5 46.6 172 193 A S H X S+ 0 0 27 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.871 117.3 50.5 -61.9 -41.1 32.4 62.7 44.3 173 194 A G H > S+ 0 0 1 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.865 108.3 52.2 -66.1 -37.9 31.1 66.3 44.0 174 195 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.860 109.3 50.1 -66.9 -36.7 34.6 67.7 43.2 175 196 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.916 110.4 49.1 -68.1 -44.6 35.0 65.2 40.4 176 197 A K H X S+ 0 0 8 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.921 114.6 45.5 -59.6 -46.2 31.7 66.0 38.8 177 198 A T H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.932 112.4 49.9 -64.0 -48.1 32.4 69.7 38.9 178 199 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.870 110.9 50.1 -60.5 -39.7 35.9 69.4 37.6 179 200 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.925 113.0 45.8 -64.1 -46.0 34.7 67.3 34.7 180 201 A L H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 3,-0.3 0.918 114.2 48.4 -62.4 -45.3 32.0 69.8 33.8 181 202 A M H < S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.854 108.3 55.7 -63.3 -36.1 34.4 72.7 34.1 182 203 A G H >< S+ 0 0 0 -4,-2.1 3,-0.6 -5,-0.2 46,-0.3 0.818 107.0 49.3 -66.4 -31.8 36.9 70.8 31.9 183 204 A A H 3< S+ 0 0 1 -4,-1.4 44,-0.6 -3,-0.3 45,-0.3 0.783 111.7 47.1 -79.8 -29.0 34.4 70.4 29.1 184 205 A V T 3< S+ 0 0 5 -4,-1.4 2,-0.4 -5,-0.1 -1,-0.2 0.196 101.1 86.7 -97.4 15.4 33.3 74.1 29.1 185 206 A T S < S- 0 0 1 -3,-0.6 43,-0.8 43,-0.2 2,-0.7 -0.934 79.3-123.1-119.1 138.5 36.9 75.3 29.1 186 207 A H E S+ O 0 227G 113 -37,-0.4 2,-0.2 -2,-0.4 41,-0.2 -0.708 78.5 37.7 -77.5 112.7 39.3 75.9 26.2 187 208 A G E S- O 0 226G 26 39,-2.3 39,-1.8 -2,-0.7 2,-0.6 -0.703 96.3 -53.3 135.2 174.0 42.4 73.7 26.9 188 209 A T E - 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G 0 507O 7 -5,-1.7 -5,-3.5 -29,-0.2 2,-0.6 -0.947 37.8-165.5-118.0 128.8 57.9 22.4 79.1 513 85 B F E -EG 481 506O 1 -32,-2.8 -32,-2.4 -2,-0.5 2,-0.5 -0.934 7.8-173.1-116.2 110.1 58.0 25.4 81.4 514 86 B T E +EG 480 505O 34 -9,-2.6 -9,-2.3 -2,-0.6 2,-0.3 -0.902 7.5 176.2-107.6 123.8 57.2 24.7 85.1 515 87 B V E -EG 479 504O 0 -36,-2.1 -36,-3.2 -2,-0.5 2,-0.3 -0.901 11.4-176.0-124.4 153.9 56.9 27.6 87.5 516 88 B D E - G 0 503O 28 -13,-2.7 -13,-3.0 -2,-0.3 3,-0.4 -0.892 10.8-176.5-152.4 117.0 56.0 27.8 91.2 517 89 B A > + 0 0 0 -45,-0.6 3,-1.3 -40,-0.5 -40,-0.1 0.054 54.3 111.3-102.7 24.3 55.5 31.1 93.1 518 90 B S T 3 S+ 0 0 67 1,-0.3 -1,-0.2 -42,-0.1 -16,-0.1 0.849 85.4 40.2 -65.8 -34.3 55.0 29.4 96.5 519 91 B A T 3 S+ 0 0 62 -3,-0.4 -1,-0.3 -18,-0.1 2,-0.1 0.081 83.1 145.9-102.2 21.8 58.3 30.7 97.8 520 92 B W < + 0 0 16 -3,-1.3 -19,-0.2 1,-0.1 -3,-0.1 -0.401 12.9 162.0 -61.2 131.9 57.9 34.1 96.2 521 93 B D + 0 0 108 -21,-2.9 2,-0.4 -2,-0.1 -1,-0.1 -0.163 28.8 100.3-154.4 47.0 59.5 36.7 98.5 522 94 B R - 0 0 110 1,-0.1 3,-0.1 -22,-0.0 25,-0.1 -0.996 37.0-173.4-138.8 135.5 60.3 40.0 96.7 523 95 B A S S+ 0 0 45 -2,-0.4 28,-0.8 1,-0.2 2,-0.4 0.662 85.1 38.6 -93.6 -21.5 58.5 43.3 96.7 524 96 B E S S- 0 0 114 26,-0.1 -1,-0.2 28,-0.0 28,-0.1 -0.996 72.3-154.7-132.5 132.3 60.8 44.8 94.1 525 97 B L - 0 0 10 -2,-0.4 28,-0.1 26,-0.3 -29,-0.1 -0.763 41.0 -81.2-103.7 151.2 62.3 43.1 91.1 526 98 B P > - 0 0 63 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.259 38.1-141.2 -52.9 125.0 65.5 44.0 89.3 527 99 B A H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.859 97.5 52.4 -60.8 -43.1 64.7 46.9 86.9 528 100 B D H 4 S+ 0 0 129 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.883 112.2 47.1 -62.3 -38.7 66.9 45.8 84.1 529 101 B L H >4 S+ 0 0 26 -3,-0.2 3,-1.1 1,-0.2 4,-0.4 0.928 113.8 45.7 -69.5 -47.4 65.3 42.3 84.1 530 102 B V H >< S+ 0 0 17 -4,-2.3 3,-1.1 1,-0.2 6,-0.3 0.889 109.1 56.1 -62.9 -41.1 61.7 43.6 84.2 531 103 B G T 3< S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.463 90.4 75.8 -74.7 -1.0 62.3 46.2 81.5 532 104 B R T < S+ 0 0 135 -3,-1.1 2,-0.3 -4,-0.2 -1,-0.2 0.780 102.0 31.9 -80.6 -28.3 63.5 43.5 79.1 533 105 B I < - 0 0 12 -3,-1.1 3,-0.2 -4,-0.4 4,-0.0 -0.867 65.5-138.5-127.8 162.9 60.0 42.2 78.3 534 106 B H S > S+ 0 0 108 -2,-0.3 3,-1.7 1,-0.2 4,-0.2 0.767 96.4 71.2 -86.1 -29.6 56.5 43.6 78.2 535 107 B G G > S+ 0 0 2 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.590 77.5 79.0 -66.9 -11.7 54.9 40.7 80.0 536 108 B S G > S+ 0 0 9 -6,-0.3 3,-1.4 1,-0.2 -1,-0.3 0.685 77.9 74.0 -69.3 -17.6 56.4 41.7 83.3 537 109 B L G X S+ 0 0 28 -3,-1.7 3,-0.9 1,-0.3 -1,-0.2 0.762 88.1 59.2 -67.0 -26.1 53.7 44.3 83.6 538 110 B Y G < S+ 0 0 14 -3,-1.1 -1,-0.3 1,-0.2 4,-0.2 0.292 87.1 75.7 -89.6 10.7 51.1 41.6 84.4 539 111 B L G <> S+ 0 0 1 -3,-1.4 4,-2.3 1,-0.1 3,-0.4 0.509 72.6 88.0 -91.3 -9.4 53.1 40.5 87.4 540 112 B L H <> S+ 0 0 5 -3,-0.9 4,-2.7 1,-0.2 5,-0.2 0.858 80.5 55.0 -58.6 -42.6 51.8 43.6 89.2 541 113 B P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.865 111.4 47.2 -59.9 -33.2 48.7 42.0 90.6 542 114 B A H > S+ 0 0 0 -3,-0.4 4,-2.1 -4,-0.2 5,-0.3 0.916 112.9 47.6 -71.3 -44.6 50.9 39.3 92.1 543 115 B L H X>S+ 0 0 6 -4,-2.3 4,-1.7 1,-0.2 5,-0.5 0.878 115.3 46.0 -63.7 -39.6 53.3 41.8 93.6 544 116 B V H X5S+ 0 0 2 -4,-2.7 4,-1.8 3,-0.2 -2,-0.2 0.923 115.2 44.4 -70.1 -46.0 50.5 43.9 95.0 545 117 B S H <5S+ 0 0 27 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.835 119.2 41.8 -71.2 -33.5 48.5 41.1 96.5 546 118 B R H <5S+ 0 0 70 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.852 132.2 18.4 -82.1 -36.9 51.5 39.3 98.1 547 119 B N H <5S- 0 0 56 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.696 83.9-136.0-110.2 -26.3 53.4 42.3 99.4 548 120 B G S < + 0 0 34 2,-0.1 4,-2.3 3,-0.0 5,-0.2 0.235 360.0 110.2-158.3 10.6 50.4 51.5 81.6 558 142 B E H > S+ 0 0 135 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.891 84.8 51.8 -59.7 -40.6 47.9 54.1 82.8 559 143 B H H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.881 108.4 50.8 -64.6 -38.7 45.1 51.7 82.0 560 144 B L H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.907 113.2 44.8 -64.8 -43.0 46.7 49.0 84.1 561 145 B L H X S+ 0 0 19 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.822 112.2 53.6 -68.9 -32.1 47.1 51.4 87.0 562 146 B D H X S+ 0 0 78 -4,-2.2 4,-0.8 -5,-0.2 -2,-0.2 0.873 108.3 49.6 -69.8 -38.5 43.5 52.6 86.5 563 147 B V H >X S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 4,-0.6 0.948 112.2 45.6 -65.0 -51.1 42.3 49.0 86.6 564 148 B M H ><>S+ 0 0 1 -4,-2.1 5,-1.9 1,-0.3 3,-0.8 0.792 105.1 64.7 -63.0 -27.2 44.1 48.2 89.8 565 149 B G H ><5S+ 0 0 36 -4,-1.3 3,-1.1 1,-0.2 -1,-0.3 0.781 93.1 60.9 -64.8 -28.0 42.8 51.5 91.1 566 150 B R H <<5S+ 0 0 84 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.753 101.3 53.8 -69.2 -24.9 39.3 50.1 90.9 567 151 B F T <<5S- 0 0 0 -3,-0.8 20,-2.5 -4,-0.6 -1,-0.2 0.360 130.8 -92.8 -92.5 4.0 40.3 47.4 93.4 568 152 B G T < 5S+ 0 0 37 -3,-1.1 2,-0.5 1,-0.3 16,-0.3 0.606 74.4 149.6 97.1 14.8 41.5 50.0 95.9 569 153 B V < - 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