==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-DEC-01 1KL2 . COMPND 2 MOLECULE: SERINE HYDROXYMETHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR V.TRIVEDI,A.GUPTA,V.R.JALA,P.SARAVANAN,G.S.J.RAO,N.A.RAO, . 814 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 583 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 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 . 35 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.7 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 1 7 0 2 1 0 1 6 2 0 0 6 2 0 2 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 2 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 PARALLEL BRIDGES PER LADDER . 2 6 2 0 4 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 . 4 0 2 0 0 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 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 M 0 0 107 0, 0.0 443,-0.1 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 130.8 -7.0 8.7 10.2 2 2 A K > + 0 0 103 441,-0.1 4,-0.8 3,-0.1 442,-0.1 0.887 360.0 29.6-108.2 -63.8 -8.5 11.1 7.7 3 3 A Y H > S+ 0 0 74 1,-0.2 4,-1.2 2,-0.1 5,-0.2 0.832 112.0 63.7 -75.6 -23.7 -6.2 12.5 5.1 4 4 A L H >> S+ 0 0 0 439,-0.2 4,-3.0 1,-0.2 3,-0.6 0.922 98.3 50.5 -64.3 -50.7 -3.8 9.5 4.9 5 5 A P H 34 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.891 114.0 47.4 -57.9 -37.0 -6.2 6.8 3.6 6 6 A Q H 3< S+ 0 0 141 -4,-0.8 -2,-0.2 1,-0.1 -3,-0.1 0.715 120.7 33.8 -74.6 -29.8 -7.3 9.2 0.8 7 7 A Q H << S+ 0 0 70 -4,-1.2 -3,-0.2 -3,-0.6 -1,-0.1 0.783 130.7 23.3-100.2 -31.7 -3.8 10.3 -0.3 8 8 A D X + 0 0 7 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 -0.642 56.8 167.0-138.2 80.2 -1.7 7.2 0.2 9 9 A P H > S+ 0 0 84 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.888 82.6 56.9 -63.4 -31.6 -3.7 4.0 0.2 10 10 A Q H > S+ 0 0 120 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.960 112.3 38.1 -63.2 -49.8 -0.4 2.1 -0.0 11 11 A V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.907 116.6 53.1 -70.4 -35.7 1.1 3.7 3.1 12 12 A F H X S+ 0 0 49 -4,-2.9 4,-2.0 -8,-0.3 -1,-0.2 0.865 106.3 53.1 -65.3 -35.2 -2.2 3.6 4.9 13 13 A A H X S+ 0 0 39 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.865 109.4 48.8 -67.1 -39.8 -2.5 -0.1 4.1 14 14 A A H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.916 112.3 47.6 -65.8 -43.6 0.9 -0.8 5.6 15 15 A I H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.834 112.6 48.8 -69.4 -34.6 0.1 1.2 8.8 16 16 A E H X S+ 0 0 41 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.901 110.2 51.7 -70.3 -40.8 -3.3 -0.5 9.2 17 17 A Q H >X S+ 0 0 76 -4,-2.0 4,-2.7 1,-0.2 3,-0.9 0.987 113.9 44.5 -58.5 -52.2 -1.6 -3.9 8.7 18 18 A E H 3X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.3 -2,-0.2 0.852 109.2 55.4 -59.2 -39.5 0.9 -2.9 11.4 19 19 A R H 3< S+ 0 0 114 -4,-2.6 4,-0.3 1,-0.2 -1,-0.3 0.760 113.1 43.2 -65.4 -27.5 -1.8 -1.5 13.7 20 20 A K H XX S+ 0 0 119 -4,-1.6 4,-2.4 -3,-0.9 3,-1.3 0.901 109.8 54.5 -83.7 -42.0 -3.5 -4.9 13.6 21 21 A R H 3X S+ 0 0 7 -4,-2.7 4,-2.7 1,-0.3 -2,-0.2 0.909 102.7 59.2 -56.8 -40.4 -0.4 -7.0 13.9 22 22 A Q H 3< S+ 0 0 13 -4,-2.2 -1,-0.3 1,-0.2 5,-0.2 0.750 113.4 37.7 -60.6 -27.3 0.4 -5.1 17.1 23 23 A H H <4 S+ 0 0 106 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.778 116.3 52.6 -93.6 -31.8 -2.9 -6.3 18.6 24 24 A A H < S+ 0 0 46 -4,-2.4 380,-0.2 381,-0.1 -2,-0.2 0.883 102.3 59.9 -72.7 -46.8 -2.8 -9.8 17.1 25 25 A K S < S- 0 0 38 -4,-2.7 2,-0.7 -5,-0.2 311,-0.2 -0.329 84.5-118.5 -80.1 165.3 0.6 -10.9 18.2 26 26 A I E -a 336 0A 1 309,-3.4 311,-2.8 -2,-0.1 2,-0.9 -0.956 34.1-144.4-106.8 108.7 1.8 -11.3 21.8 27 27 A E E +a 337 0A 0 -2,-0.7 336,-0.6 -5,-0.2 335,-0.2 -0.734 35.5 158.1 -83.9 102.6 4.7 -8.8 21.9 28 28 A L + 0 0 0 309,-2.7 331,-1.6 -2,-0.9 2,-0.3 0.195 25.2 129.9-111.9 17.1 7.6 -10.0 24.1 29 29 A I > - 0 0 1 308,-0.2 3,-1.1 329,-0.2 333,-0.4 -0.585 54.9-142.5 -68.5 128.4 10.5 -7.9 22.6 30 30 A A T 3 S+ 0 0 1 -2,-0.3 -1,-0.2 1,-0.2 197,-0.2 0.757 95.6 56.8 -69.0 -22.7 12.0 -6.4 25.8 31 31 A S T 3 S+ 0 0 1 195,-0.1 -1,-0.2 328,-0.1 2,-0.1 0.570 97.4 88.7 -74.8 -20.4 12.8 -3.0 24.0 32 32 A E < + 0 0 2 -3,-1.1 330,-0.4 425,-0.0 2,-0.3 -0.341 39.8 147.0 -93.9 167.9 9.2 -2.5 23.0 33 33 A N - 0 0 4 422,-0.5 2,-0.4 328,-0.1 329,-0.1 -0.912 41.2-103.4-172.1-173.5 6.1 -0.9 24.4 34 34 A F - 0 0 28 -2,-0.3 2,-0.2 327,-0.1 418,-0.0 -0.973 30.7-143.9-135.2 121.7 2.9 0.9 23.2 35 35 A V - 0 0 12 -2,-0.4 195,-0.1 1,-0.1 420,-0.1 -0.531 23.1-103.2 -85.7 159.1 2.5 4.6 23.7 36 36 A S > - 0 0 36 193,-0.3 4,-2.0 -2,-0.2 5,-0.2 -0.251 29.3-110.3 -69.4 165.8 -0.6 6.5 24.5 37 37 A R H > S+ 0 0 152 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.897 119.2 60.5 -67.3 -33.9 -2.7 8.4 22.0 38 38 A A H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.966 105.2 49.2 -56.4 -49.4 -1.7 11.7 23.7 39 39 A V H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.912 112.7 46.4 -57.6 -43.8 2.0 10.7 22.9 40 40 A M H X S+ 0 0 24 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.906 108.8 55.3 -66.6 -38.1 1.1 10.0 19.2 41 41 A E H < S+ 0 0 31 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.916 106.9 51.5 -62.5 -38.2 -0.9 13.2 18.9 42 42 A A H >< S+ 0 0 0 -4,-2.2 3,-1.3 -5,-0.3 5,-0.3 0.939 113.0 42.7 -66.3 -44.2 2.1 15.2 20.0 43 43 A Q H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.730 112.1 54.4 -78.0 -15.5 4.5 13.6 17.5 44 44 A G T 3< S+ 0 0 12 -4,-2.0 -1,-0.3 406,-0.2 406,-0.2 0.344 94.0 107.8 -88.9 3.5 1.8 13.8 14.7 45 45 A S S X S- 0 0 0 -3,-1.3 3,-1.0 -4,-0.2 216,-0.1 -0.144 89.2-100.1 -74.2 175.1 1.6 17.6 15.5 46 46 A V G > S+ 0 0 21 1,-0.2 3,-1.9 2,-0.1 4,-0.3 0.425 97.2 99.7 -80.2 6.8 2.8 20.5 13.5 47 47 A L G > + 0 0 1 -5,-0.3 3,-1.7 1,-0.3 213,-0.4 0.801 67.6 75.4 -65.1 -17.3 6.0 20.9 15.6 48 48 A T G < S+ 0 0 1 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.751 86.4 64.1 -58.7 -26.6 7.7 19.0 12.7 49 49 A N G < S+ 0 0 8 -3,-1.9 390,-0.6 389,-0.1 2,-0.5 0.691 86.0 91.4 -73.3 -18.8 7.5 22.2 10.8 50 50 A K < - 0 0 0 -3,-1.7 2,-0.5 -4,-0.3 210,-0.4 -0.659 61.0-151.6 -94.2 127.4 9.8 24.2 13.1 51 51 A Y + 0 0 10 -2,-0.5 208,-0.1 11,-0.1 387,-0.1 -0.803 25.6 166.3 -84.2 121.6 13.6 24.6 12.9 52 52 A A + 0 0 0 -2,-0.5 -1,-0.1 206,-0.3 207,-0.1 -0.258 2.8 169.8-136.6 46.8 14.8 25.1 16.5 53 53 A E + 0 0 1 204,-0.1 7,-2.5 205,-0.1 2,-0.3 -0.357 57.4 28.1 -56.9 137.6 18.6 24.7 16.5 54 54 A G E S-B 59 0B 2 202,-0.3 5,-0.3 5,-0.2 -2,-0.1 -0.831 99.0 -66.5 105.7-158.2 20.0 25.8 19.9 55 55 A Y E > -B 58 0B 28 3,-1.4 3,-3.1 -2,-0.3 13,-0.1 -0.918 64.5 -61.2-132.6 164.6 18.2 25.7 23.2 56 56 A P T 3 S+ 0 0 17 0, 0.0 9,-0.1 0, 0.0 -2,-0.0 -0.237 126.9 6.6 -52.6 119.4 15.3 27.4 24.8 57 57 A G T 3 S+ 0 0 66 7,-0.1 8,-0.0 1,-0.0 -3,-0.0 0.328 128.0 65.9 87.9 -8.8 16.1 31.2 25.0 58 58 A R E < S+B 55 0B 154 -3,-3.1 -3,-1.4 3,-0.0 2,-0.2 -0.415 70.3 146.1-139.6 55.9 19.3 30.6 22.9 59 59 A R E -B 54 0B 16 -5,-0.3 -5,-0.2 2,-0.1 -6,-0.1 -0.579 51.3-136.6 -93.2 164.3 18.1 29.5 19.5 60 60 A Y S S+ 0 0 28 -7,-2.5 2,-0.3 -2,-0.2 -6,-0.1 0.063 84.9 57.2 -98.9 13.4 19.5 30.2 16.1 61 61 A Y S S- 0 0 6 -8,-0.3 3,-0.5 684,-0.1 684,-0.2 -0.991 80.3-110.6-143.2 157.5 16.1 30.9 14.5 62 62 A G S S+ 0 0 3 682,-1.5 -11,-0.1 -2,-0.3 681,-0.1 -0.199 90.1 36.0 -80.7 168.4 13.1 33.1 15.0 63 63 A G + 0 0 3 1,-0.1 3,-0.5 679,-0.1 4,-0.4 0.596 67.6 127.9 67.0 19.8 9.7 32.1 16.2 64 64 A C > + 0 0 7 -3,-0.5 4,-2.1 1,-0.2 5,-0.2 0.279 35.7 112.1 -90.9 15.3 10.8 29.5 18.7 65 65 A E H > S+ 0 0 67 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.859 84.5 30.8 -50.6 -55.3 8.7 31.1 21.4 66 66 A Y H >> S+ 0 0 72 -3,-0.5 4,-1.3 2,-0.2 3,-0.9 0.880 115.8 57.6 -83.2 -31.9 6.2 28.3 21.8 67 67 A V H 3> S+ 0 0 0 -4,-0.4 4,-1.7 1,-0.3 -2,-0.2 0.777 100.1 61.1 -69.0 -20.2 8.5 25.4 20.9 68 68 A D H 3X S+ 0 0 30 -4,-2.1 4,-2.1 2,-0.2 -1,-0.3 0.842 98.6 56.9 -70.0 -32.0 10.7 26.6 23.8 69 69 A I H S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 5,-0.5 0.935 111.1 47.0 -65.4 -45.0 12.7 14.8 33.2 79 79 A K H X5S+ 0 0 55 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.898 112.7 50.7 -65.8 -34.3 14.6 16.5 36.1 80 80 A Q H <5S+ 0 0 138 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.889 112.8 47.0 -66.9 -40.8 11.6 15.9 38.3 81 81 A L H <5S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.938 128.7 19.1 -72.3 -47.8 11.4 12.2 37.3 82 82 A F H <5S- 0 0 5 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.668 94.8-129.1-102.6 -16.8 15.1 11.2 37.7 83 83 A G << + 0 0 54 -4,-1.8 -4,-0.1 -5,-0.5 -3,-0.1 0.855 52.2 153.6 74.7 33.5 16.2 14.0 39.9 84 84 A A - 0 0 12 -6,-0.3 -1,-0.2 -5,-0.2 155,-0.1 -0.450 50.8-126.1 -87.4 167.3 19.2 14.9 37.8 85 85 A E S S+ 0 0 100 153,-0.5 2,-0.3 1,-0.2 154,-0.2 0.901 88.4 16.6 -81.6 -42.5 20.7 18.4 37.7 86 86 A H E -C 238 0C 16 152,-2.3 152,-2.0 -8,-0.1 2,-0.4 -0.924 64.8-159.8-132.5 155.3 20.5 18.8 34.0 87 87 A A E -C 237 0C 1 -2,-0.3 2,-0.6 150,-0.2 150,-0.2 -0.998 10.2-162.1-140.2 137.9 18.7 17.3 31.1 88 88 A N E +C 236 0C 0 148,-4.0 148,-2.5 -2,-0.4 -2,-0.0 -0.966 12.5 173.9-114.8 110.9 19.2 17.2 27.3 89 89 A V + 0 0 0 -2,-0.6 145,-0.1 146,-0.2 177,-0.1 0.352 62.0 81.1-100.9 12.3 16.0 16.1 25.6 90 90 A Q + 0 0 1 146,-0.1 169,-0.3 168,-0.1 -1,-0.2 0.657 51.7 117.0 -90.0 -26.5 17.2 16.6 22.0 91 91 A P - 0 0 0 0, 0.0 143,-2.4 0, 0.0 4,-0.0 -0.265 55.8-150.3 -44.6 127.3 19.2 13.4 21.4 92 92 A H S S+ 0 0 3 141,-0.2 2,-0.3 2,-0.0 3,-0.1 0.669 73.0 13.3 -73.7 -27.3 17.3 11.7 18.5 93 93 A S S > S- 0 0 9 140,-0.2 4,-1.7 1,-0.1 141,-0.2 -0.878 76.9-109.4-135.3 175.5 18.3 8.2 19.5 94 94 A G H > S+ 0 0 12 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.873 124.8 54.9 -77.4 -36.7 19.8 6.3 22.4 95 95 A A H > S+ 0 0 5 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.886 107.0 46.5 -58.5 -44.2 22.8 6.0 20.0 96 96 A Q H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.939 111.3 53.9 -71.3 -36.0 23.0 9.8 19.5 97 97 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.916 112.9 42.1 -56.9 -47.2 22.7 10.2 23.3 98 98 A N H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.974 113.5 53.0 -66.1 -48.4 25.6 7.8 23.8 99 99 A M H X S+ 0 0 11 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.835 107.1 52.1 -52.8 -43.4 27.6 9.4 21.0 100 100 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.925 110.5 46.9 -63.0 -44.5 27.2 12.9 22.4 101 101 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.978 114.9 45.6 -61.8 -51.7 28.5 11.8 25.9 102 102 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 -1,-0.2 0.863 111.2 55.0 -55.8 -40.7 31.5 10.0 24.4 103 103 A F H < S+ 0 0 48 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.898 110.2 47.0 -58.3 -43.9 31.9 13.0 22.1 104 104 A T H < S+ 0 0 36 -4,-2.2 -2,-0.2 -3,-0.3 -1,-0.2 0.855 124.8 25.2 -67.7 -45.0 32.1 15.3 25.2 105 105 A V H < S+ 0 0 13 -4,-2.2 2,-0.3 -5,-0.1 -2,-0.2 0.724 111.3 63.2 -98.1 -25.3 34.5 13.3 27.4 106 106 A L < - 0 0 14 -4,-2.6 2,-0.2 -5,-0.3 3,-0.1 -0.754 58.9-147.3-109.3 159.3 36.7 11.2 25.0 107 107 A E > - 0 0 113 -2,-0.3 3,-2.3 1,-0.1 -2,-0.0 -0.632 52.4 -70.2-107.8 165.2 39.2 11.9 22.3 108 108 A H T 3 S+ 0 0 82 1,-0.3 28,-0.2 -2,-0.2 -1,-0.1 -0.337 124.4 14.4 -56.6 132.3 39.7 9.7 19.3 109 109 A G T 3 S+ 0 0 38 26,-2.9 -1,-0.3 1,-0.2 27,-0.2 0.453 86.0 148.5 82.3 1.8 41.3 6.5 20.6 110 110 A D < - 0 0 26 -3,-2.3 27,-3.4 25,-0.3 2,-0.4 -0.235 51.9-107.9 -65.4 162.6 40.6 6.9 24.3 111 111 A T E -d 137 0C 33 52,-0.2 54,-1.9 25,-0.2 55,-0.8 -0.770 36.8-173.5 -94.6 135.9 40.1 3.7 26.3 112 112 A V E -de 138 166C 0 25,-2.8 27,-2.7 -2,-0.4 2,-0.7 -0.999 18.2-144.8-131.6 139.1 36.6 2.9 27.5 113 113 A L E +de 139 167C 0 53,-1.9 55,-3.6 -2,-0.4 2,-0.3 -0.907 34.4 158.8-106.1 112.1 35.4 0.0 29.8 114 114 A G E -d 140 0C 1 25,-1.9 27,-1.0 -2,-0.7 55,-0.1 -0.941 46.3 -78.3-133.8 156.0 32.0 -1.2 28.8 115 115 A M E -d 141 0C 2 53,-0.4 27,-0.2 -2,-0.3 5,-0.1 -0.230 55.4 -96.9 -57.8 134.4 30.0 -4.4 29.3 116 116 A N >>> - 0 0 45 25,-3.3 5,-2.6 1,-0.1 3,-1.1 -0.253 33.5-130.2 -48.7 132.0 30.9 -7.4 27.2 117 117 A L T 345S+ 0 0 62 1,-0.3 -1,-0.1 3,-0.2 225,-0.1 0.747 103.4 43.5 -62.3 -36.1 28.5 -7.5 24.3 118 118 A S T 345S+ 0 0 43 1,-0.2 228,-0.3 2,-0.1 -1,-0.3 0.307 109.9 58.0 -96.4 8.2 27.4 -11.2 24.5 119 119 A H T <45S- 0 0 11 -3,-1.1 -2,-0.2 225,-0.2 -1,-0.2 0.511 138.6 -70.1-105.2 -15.6 27.1 -10.9 28.3 120 120 A G T <5S+ 0 0 6 -4,-0.8 52,-2.0 1,-0.2 53,-1.7 0.269 87.5 133.5 148.5 -15.3 24.6 -8.1 28.0 121 121 A G < - 0 0 5 -5,-2.6 -1,-0.2 50,-0.2 2,-0.2 -0.199 51.8-112.7 -62.8 157.6 26.2 -4.9 26.7 122 122 A H > - 0 0 21 48,-0.3 3,-3.0 1,-0.1 5,-0.4 -0.562 24.4-105.7 -92.9 156.8 24.7 -2.8 23.9 123 123 A L G >> S+ 0 0 6 1,-0.3 4,-1.7 -2,-0.2 3,-0.8 0.828 120.6 54.1 -39.9 -47.7 26.0 -2.1 20.4 124 124 A T G 34 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.2 -2,-0.0 0.286 91.5 77.6 -80.4 12.9 27.1 1.4 21.4 125 125 A H G <4 S- 0 0 4 -3,-3.0 -1,-0.3 -10,-0.1 -2,-0.1 0.100 127.7 -51.0-107.7 27.1 29.1 0.1 24.3 126 126 A G T <4 S+ 0 0 17 -3,-0.8 12,-0.2 1,-0.2 -2,-0.2 0.471 73.4 159.1 124.8 -0.3 32.1 -1.1 22.1 127 127 A S >< - 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0 0 50 -3,-1.1 4,-2.1 1,-0.2 3,-0.5 -0.598 51.2-159.4 -72.9 114.2 4.4 -30.5 14.5 390 390 A E H > S+ 0 0 118 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.783 94.0 55.6 -61.5 -25.8 1.8 -28.7 12.4 391 391 A Q H > S+ 0 0 166 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.864 106.1 48.3 -73.2 -40.9 -0.7 -29.6 15.2 392 392 A A H > S+ 0 0 6 -3,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.911 111.9 52.3 -65.0 -41.2 1.4 -28.0 17.9 393 393 A L H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.961 112.1 42.6 -56.5 -58.1 1.7 -24.9 15.7 394 394 A E H X S+ 0 0 99 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.819 111.6 54.1 -63.6 -35.3 -2.0 -24.5 15.1 395 395 A E H >X S+ 0 0 89 -4,-2.0 4,-1.7 2,-0.2 3,-1.0 0.993 108.5 51.6 -60.7 -51.7 -2.9 -25.2 18.7 396 396 A A H >X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.3 3,-0.8 0.905 105.1 57.3 -44.1 -55.3 -0.5 -22.4 19.5 397 397 A R H 3X S+ 0 0 86 -4,-2.6 4,-2.1 1,-0.3 -1,-0.3 0.798 106.8 45.9 -48.6 -43.8 -2.3 -20.2 17.1 398 398 A Q H X S+ 0 0 5 -4,-2.5 3,-2.6 1,-0.3 4,-1.8 0.992 113.2 52.8 -57.2 -51.9 -2.4 -16.8 21.2 401 401 A A H 3X S+ 0 0 51 -4,-2.1 4,-0.9 1,-0.3 -1,-0.3 0.768 104.6 56.3 -52.0 -30.3 -5.7 -15.8 19.5 402 402 A A H << S+ 0 0 62 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.715 108.1 48.0 -75.5 -24.0 -7.5 -16.4 22.7 403 403 A L H << S+ 0 0 39 -3,-2.6 -2,-0.2 -4,-1.1 -1,-0.2 0.838 118.4 35.4 -85.7 -39.2 -5.3 -14.0 24.5 404 404 A T H < 0 0 17 -4,-1.8 -2,-0.2 -380,-0.2 -3,-0.2 0.535 360.0 360.0 -92.1 -6.6 -5.4 -11.0 22.1 405 405 A D < 0 0 162 -4,-0.9 -3,-0.1 -5,-0.3 -4,-0.1 0.642 360.0 360.0 22.2 360.0 -9.1 -11.6 21.2 406 !* 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 0.0 407 1 B M 0 0 106 0, 0.0 -369,-0.1 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 128.3 -6.4 16.1 18.8 408 2 B K + 0 0 142 -371,-0.1 4,-0.2 3,-0.0 -370,-0.1 0.886 360.0 22.2 -99.9 -52.8 -8.5 13.8 21.0 409 3 B Y S > S+ 0 0 85 2,-0.1 4,-2.8 3,-0.1 3,-0.4 0.708 106.6 72.2 -95.9 -22.4 -6.5 12.6 24.1 410 4 B L H > S+ 0 0 0 1,-0.2 4,-3.5 2,-0.2 8,-0.3 0.918 92.7 52.6 -63.0 -49.4 -3.8 15.2 24.5 411 5 B P H 4 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.772 117.7 40.1 -60.3 -27.3 -5.8 18.2 25.8 412 6 B Q H 4 S+ 0 0 168 -3,-0.4 -2,-0.2 -4,-0.2 -3,-0.1 0.863 121.3 41.8 -89.5 -39.7 -7.3 16.0 28.5 413 7 B Q H < S+ 0 0 56 -4,-2.8 -3,-0.2 1,-0.2 -1,-0.0 0.966 132.2 14.1 -66.7 -55.9 -4.0 14.1 29.3 414 8 B D X + 0 0 6 -4,-3.5 4,-2.7 -5,-0.2 3,-0.4 -0.630 55.4 173.0-133.8 85.2 -1.7 17.1 29.2 415 9 B P H > S+ 0 0 84 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.811 84.2 56.6 -55.9 -38.6 -3.0 20.7 29.2 416 10 B Q H > S+ 0 0 120 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.925 112.9 39.0 -63.7 -45.2 0.5 22.2 29.5 417 11 B V H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.924 115.1 53.9 -71.3 -40.9 1.8 20.4 26.3 418 12 B F H X S+ 0 0 50 -4,-2.7 4,-2.7 -8,-0.3 -2,-0.2 0.871 105.1 53.3 -59.8 -40.3 -1.5 21.0 24.5 419 13 B A H X S+ 0 0 46 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.898 111.8 45.1 -63.4 -40.2 -1.5 24.7 25.1 420 14 B A H X S+ 0 0 1 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.884 111.9 51.2 -74.6 -35.5 2.0 25.1 23.7 421 15 B I H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.957 112.5 48.4 -63.4 -43.0 1.3 22.9 20.7 422 16 B E H X S+ 0 0 43 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.865 108.3 52.7 -65.5 -36.8 -1.8 25.1 20.1 423 17 B Q H X S+ 0 0 75 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.941 109.1 51.0 -63.9 -40.7 0.1 28.3 20.4 424 18 B E H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.903 108.6 51.1 -61.5 -46.4 2.6 27.0 17.8 425 19 B R H X S+ 0 0 112 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.935 111.8 46.5 -56.0 -49.6 -0.2 26.1 15.4 426 20 B K H >X S+ 0 0 136 -4,-2.4 4,-2.8 1,-0.2 3,-0.6 0.959 112.1 51.2 -60.7 -44.5 -1.7 29.6 15.8 427 21 B R H 3X S+ 0 0 7 -4,-3.2 4,-2.7 1,-0.3 -2,-0.2 0.927 104.7 57.5 -59.4 -42.5 1.8 31.2 15.3 428 22 B Q H 3< S+ 0 0 13 -4,-3.0 5,-0.3 1,-0.2 -1,-0.3 0.850 114.7 37.6 -57.2 -33.7 2.3 29.1 12.2 429 23 B H H << S+ 0 0 88 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.853 118.7 47.0 -85.1 -38.6 -0.9 30.6 10.6 430 24 B A H < S+ 0 0 48 -4,-2.8 380,-0.2 -5,-0.2 -2,-0.2 0.824 104.4 63.1 -76.7 -34.8 -0.5 34.2 12.0 431 25 B K S < S- 0 0 33 -4,-2.7 2,-0.9 -5,-0.2 311,-0.2 -0.495 84.5-116.6 -88.6 164.0 3.2 34.9 11.1 432 26 B I E -m 742 0F 0 309,-2.8 311,-1.7 -2,-0.2 2,-1.3 -0.861 31.9-150.1 -99.4 99.9 4.8 35.0 7.7 433 27 B E E +m 743 0F 1 -2,-0.9 336,-0.3 -5,-0.3 335,-0.2 -0.623 30.7 161.5 -76.6 98.0 7.2 32.1 8.0 434 28 B L + 0 0 0 309,-2.5 331,-2.6 -2,-1.3 2,-0.2 0.348 22.0 133.8-100.2 9.4 10.2 33.1 5.8 435 29 B I > - 0 0 2 308,-0.5 3,-1.6 329,-0.2 333,-0.3 -0.453 53.8-141.7 -62.9 122.1 12.8 30.7 7.3 436 30 B A T 3 S+ 0 0 1 1,-0.3 331,-0.2 -2,-0.2 -1,-0.2 0.671 95.6 46.8 -64.0 -25.1 14.3 29.2 4.2 437 31 B S T 3 S+ 0 0 0 195,-0.1 -1,-0.3 328,-0.1 2,-0.2 0.297 98.7 91.9 -98.1 5.4 14.7 25.6 5.4 438 32 B E < + 0 0 1 -3,-1.6 330,-0.4 -5,-0.1 2,-0.3 -0.489 44.8 159.0 -97.2 168.3 11.2 25.5 6.8 439 33 B N - 0 0 4 -390,-0.6 2,-0.5 -2,-0.2 329,-0.1 -0.929 39.4-104.3-166.3-179.1 8.0 24.3 5.2 440 34 B F - 0 0 29 -2,-0.3 2,-0.2 327,-0.1 -394,-0.0 -0.999 32.6-147.7-124.8 120.9 4.5 23.0 6.1 441 35 B V - 0 0 19 -2,-0.5 195,-0.1 1,-0.1 2,-0.1 -0.547 24.1-100.4 -80.6 163.9 3.9 19.3 5.7 442 36 B S > - 0 0 30 193,-0.4 4,-2.1 -2,-0.2 5,-0.2 -0.359 25.8-112.6 -79.1 166.4 0.5 17.8 4.7 443 37 B R H > S+ 0 0 144 1,-0.2 4,-1.9 2,-0.2 -439,-0.2 0.839 119.5 58.2 -65.6 -31.6 -2.0 16.3 7.1 444 38 B A H > S+ 0 0 1 -441,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.932 105.4 49.9 -64.2 -45.4 -1.3 12.9 5.5 445 39 B V H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.937 111.1 48.2 -60.0 -47.1 2.4 13.3 6.5 446 40 B M H X S+ 0 0 29 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.859 107.6 55.3 -61.5 -37.6 1.5 14.2 10.1 447 41 B E H < S+ 0 0 43 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.876 107.1 49.9 -64.4 -38.9 -0.9 11.2 10.4 448 42 B A H >< S+ 0 0 0 -4,-1.6 3,-1.6 -3,-0.2 5,-0.3 0.954 111.2 50.0 -66.7 -42.3 1.8 8.8 9.4 449 43 B Q H 3< S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.805 109.5 51.0 -66.4 -29.8 4.2 10.4 12.0 450 44 B G T 3< S+ 0 0 17 -4,-1.9 -1,-0.3 -406,-0.2 -406,-0.2 0.303 93.7 112.9 -89.9 10.0 1.5 10.1 14.7 451 45 B S S X S- 0 0 5 -3,-1.6 3,-0.9 -5,-0.1 216,-0.1 -0.053 85.1-100.7 -76.5-179.9 1.0 6.4 13.9 452 46 B V G > S+ 0 0 24 1,-0.2 3,-2.1 -437,-0.1 4,-0.3 0.572 98.9 96.2 -80.2 -4.2 1.7 3.2 15.9 453 47 B L G > + 0 0 1 1,-0.3 3,-0.7 -5,-0.3 214,-0.4 0.605 68.1 74.8 -61.9 -10.9 4.8 2.6 13.8 454 48 B T G < S+ 0 0 2 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.738 86.6 63.2 -70.5 -23.4 6.8 4.3 16.7 455 49 B N G < S+ 0 0 10 -3,-2.1 2,-0.6 -420,-0.1 -422,-0.5 0.660 84.7 95.4 -77.1 -17.4 6.3 1.2 18.8 456 50 B K < - 0 0 0 -3,-0.7 2,-0.4 -4,-0.3 210,-0.4 -0.689 60.1-153.9 -90.5 120.5 8.3 -1.0 16.4 457 51 B Y + 0 0 11 -2,-0.6 208,-0.1 11,-0.1 -425,-0.0 -0.716 24.5 164.8 -80.7 126.9 12.0 -1.8 16.8 458 52 B A + 0 0 0 -2,-0.4 -1,-0.1 206,-0.2 -2,-0.0 -0.215 4.6 172.3-142.3 45.3 13.4 -2.6 13.4 459 53 B E + 0 0 0 204,-0.1 7,-2.4 7,-0.1 8,-0.3 -0.340 59.4 33.5 -55.3 138.9 17.2 -2.5 13.5 460 54 B G E S-N 465 0G 0 202,-0.3 5,-0.3 5,-0.3 -2,-0.1 -0.670 97.4 -66.0 109.4-163.9 18.3 -3.7 10.1 461 55 B Y E > -N 464 0G 8 3,-1.2 3,-3.4 -2,-0.2 13,-0.1 -0.805 66.1 -64.2-126.2 156.9 16.8 -3.4 6.6 462 56 B P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 -0.267 127.6 7.6 -48.8 122.9 13.7 -4.7 5.0 463 57 B G T 3 S+ 0 0 75 7,-0.1 8,-0.0 1,-0.0 -3,-0.0 0.418 125.8 69.7 80.4 1.1 13.9 -8.4 4.9 464 58 B R E < +N 461 0G 92 -3,-3.4 -3,-1.2 -5,-0.0 2,-0.2 -0.379 68.0 147.6-143.4 49.7 17.1 -8.3 7.0 465 59 B R E -N 460 0G 30 -5,-0.3 -5,-0.3 2,-0.1 -6,-0.1 -0.563 50.8-139.3 -86.1 161.5 16.0 -7.2 10.5 466 60 B Y S S+ 0 0 18 -7,-2.4 2,-0.3 -2,-0.2 -6,-0.1 0.048 89.0 53.9-100.8 17.1 17.3 -8.2 13.9 467 61 B Y S S- 0 0 9 -8,-0.3 3,-0.4 -128,-0.1 -128,-0.2 -0.987 80.9-119.7-145.8 153.6 13.7 -8.4 15.2 468 62 B G S S+ 0 0 11 -130,-1.1 -11,-0.1 -2,-0.3 -131,-0.1 -0.289 86.4 49.8 -86.8 173.7 10.5 -10.3 14.3 469 63 B G + 0 0 1 -133,-0.1 3,-0.4 1,-0.1 4,-0.3 0.671 67.1 125.2 72.0 21.3 7.2 -8.8 13.3 470 64 B C > + 0 0 7 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.265 31.6 113.8 -94.8 14.1 8.7 -6.4 10.8 471 65 B E H > S+ 0 0 69 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.741 84.1 31.9 -48.4 -47.4 6.5 -7.6 7.9 472 66 B Y H >> S+ 0 0 62 -3,-0.4 4,-2.1 2,-0.2 3,-0.8 0.892 115.3 56.3 -85.8 -42.1 4.5 -4.3 7.5 473 67 B V H 3> S+ 0 0 0 -4,-0.3 4,-2.5 1,-0.3 -2,-0.2 0.845 102.0 60.7 -61.6 -29.0 7.3 -1.9 8.5 474 68 B D H 3X S+ 0 0 30 -4,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.907 104.4 47.6 -64.7 -39.1 9.4 -3.5 5.7 475 69 B I H S- 0 0 9 140,-0.3 4,-1.0 1,-0.1 141,-0.2 -0.807 74.3-107.3-141.1-179.7 18.6 13.8 10.4 500 94 B G H > S+ 0 0 10 -2,-0.2 4,-2.2 140,-0.2 5,-0.2 0.681 123.5 57.2 -84.9 -27.2 20.5 15.5 7.6 501 95 B A H > S+ 0 0 4 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.975 109.0 43.3 -64.4 -49.9 23.3 15.6 10.2 502 96 B Q H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.830 110.2 56.4 -67.9 -30.8 23.2 11.8 10.6 503 97 B A H X S+ 0 0 0 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.995 111.8 42.8 -60.7 -54.1 23.0 11.3 6.8 504 98 B N H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.929 112.2 54.1 -56.3 -47.7 26.2 13.3 6.4 505 99 B M H X S+ 0 0 14 -4,-2.9 4,-3.2 1,-0.2 -1,-0.2 0.923 107.1 51.0 -54.3 -46.5 27.8 11.5 9.3 506 100 B A H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.926 109.4 50.0 -64.5 -38.3 27.1 8.1 7.8 507 101 B V H >X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 3,-0.9 0.975 113.8 45.4 -61.2 -48.6 28.6 9.2 4.5 508 102 B Y H 3X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.3 3,-0.3 0.936 110.8 53.6 -60.4 -42.7 31.8 10.4 6.3 509 103 B F H 3< S+ 0 0 52 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.733 111.7 46.8 -59.8 -29.5 31.9 7.2 8.5 510 104 B T H << S+ 0 0 32 -4,-1.4 -1,-0.2 -3,-0.9 -2,-0.2 0.785 125.7 22.7 -82.7 -41.8 31.8 5.1 5.3 511 105 B V H < S+ 0 0 6 -4,-1.8 2,-0.4 -3,-0.3 -2,-0.2 0.639 112.2 68.1-106.1 -22.4 34.4 6.8 3.1 512 106 B L < - 0 0 9 -4,-3.0 2,-0.3 -5,-0.3 3,-0.0 -0.821 59.3-150.9-109.3 148.8 36.6 8.6 5.6 513 107 B E > - 0 0 108 -2,-0.4 3,-2.7 1,-0.1 -3,-0.0 -0.830 51.0 -73.9-107.8 137.0 39.1 7.5 8.2 514 108 B H T 3 S+ 0 0 88 -2,-0.3 28,-0.2 1,-0.3 -1,-0.1 -0.061 121.4 14.8 -32.4 124.9 39.7 9.8 11.3 515 109 B G T 3 S+ 0 0 37 26,-2.6 -1,-0.3 1,-0.2 27,-0.2 0.321 88.1 149.1 89.9 -12.2 41.8 12.8 10.3 516 110 B D < - 0 0 36 -3,-2.7 27,-3.6 25,-0.3 2,-0.4 -0.138 52.0-107.9 -53.4 153.9 41.3 12.4 6.5 517 111 B T E -p 543 0H 36 25,-0.2 54,-2.2 52,-0.2 55,-0.9 -0.715 38.3-176.6 -93.7 128.7 41.3 15.6 4.5 518 112 B V E -pq 544 572H 0 25,-3.1 27,-2.6 -2,-0.4 2,-0.6 -0.993 21.3-140.1-128.5 139.1 38.0 16.8 3.1 519 113 B L E +pq 545 573H 0 53,-2.3 55,-4.5 -2,-0.4 2,-0.3 -0.883 37.3 159.4 -98.1 117.1 37.2 19.8 0.9 520 114 B G E -p 546 0H 1 25,-2.4 27,-1.9 -2,-0.6 2,-0.2 -0.898 43.4 -88.9-136.9 166.1 34.0 21.5 1.9 521 115 B M E -p 547 0H 4 55,-0.3 27,-0.2 -2,-0.3 2,-0.1 -0.554 49.1-103.9 -77.6 144.6 32.2 24.9 1.5 522 116 B N > - 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