==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-MAY-11 3RUY . COMPND 2 MOLECULE: ORNITHINE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR S.M.ANDERSON,Z.WAWRZAK,J.S.BRUNZELLE,O.ONOPRIYENKO,S.N.PETER . 784 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 43 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.4 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 5 1 0 2 3 0 3 2 2 0 0 2 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 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 0 PARALLEL BRIDGES PER LADDER . 5 1 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 4 0 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 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 5 A K 0 0 153 0, 0.0 19,-0.1 0, 0.0 470,-0.0 0.000 360.0 360.0 360.0 44.4 -2.7 23.4 18.9 2 6 A D > + 0 0 117 1,-0.1 4,-0.7 3,-0.0 3,-0.1 0.711 360.0 129.1 64.9 22.5 -1.8 20.7 21.4 3 7 A I H >> S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 3,-1.0 0.851 70.1 65.4 -64.8 -34.7 -4.9 18.8 20.7 4 8 A I H 3> S+ 0 0 36 1,-0.3 4,-3.1 2,-0.3 5,-0.3 0.833 87.6 62.0 -58.8 -39.2 -2.3 16.0 20.3 5 9 A E H 3> S+ 0 0 135 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.889 109.2 45.9 -54.9 -34.3 -1.3 16.1 23.9 6 10 A L H - 0 0 7 477,-1.4 3,-0.5 -2,-0.3 652,-0.1 -0.368 21.8-125.2 -73.7 158.3 -4.2 4.0 20.9 13 17 A N T 3 S+ 0 0 85 650,-0.3 657,-0.2 653,-0.3 -1,-0.1 0.114 81.1 104.8 -98.1 21.8 -0.9 3.6 19.2 14 18 A N T 3 S+ 0 0 0 654,-0.2 655,-2.6 1,-0.1 657,-0.4 0.566 83.1 50.2 -76.9 -7.3 -2.0 2.1 15.9 15 19 A Y < - 0 0 48 -3,-0.5 -1,-0.1 653,-0.2 452,-0.1 -0.995 55.5-174.8-134.1 129.7 -1.4 5.5 14.3 16 20 A H - 0 0 150 -2,-0.4 -3,-0.1 651,-0.1 2,-0.0 -0.742 28.2-176.2-117.8 81.1 1.6 7.8 14.4 17 21 A P - 0 0 28 0, 0.0 451,-0.2 0, 0.0 450,-0.1 -0.290 33.6 -87.2 -78.4 159.1 0.3 10.9 12.5 18 22 A L - 0 0 31 449,-2.0 451,-0.3 1,-0.1 0, 0.0 -0.226 45.9-105.9 -57.3 155.3 2.1 14.0 11.5 19 23 A P S S+ 0 0 91 0, 0.0 2,-0.4 0, 0.0 -15,-0.2 0.319 86.1 112.5 -69.3 7.1 2.0 16.7 14.3 20 24 A I - 0 0 12 -19,-0.1 449,-2.2 -16,-0.0 2,-0.5 -0.714 53.5-153.4 -93.9 135.9 -0.5 18.8 12.3 21 25 A V E -h 469 0B 5 -2,-0.4 2,-0.6 447,-0.2 449,-0.2 -0.901 3.2-154.4-109.5 127.4 -4.1 19.4 13.2 22 26 A I E +h 470 0B 5 447,-2.6 449,-0.5 -2,-0.5 10,-0.2 -0.891 22.0 164.8-103.5 115.8 -6.8 20.1 10.7 23 27 A S + 0 0 10 8,-2.2 2,-0.3 -2,-0.6 9,-0.2 0.587 68.9 25.6-103.9 -15.7 -9.8 22.1 12.0 24 28 A K E +I 31 0C 96 7,-1.7 7,-2.4 2,-0.0 2,-0.3 -0.985 59.5 179.5-152.0 139.2 -11.3 23.1 8.7 25 29 A A E +I 30 0C 2 435,-2.9 2,-0.3 -2,-0.3 5,-0.3 -0.999 5.9 165.7-140.6 141.6 -11.3 21.7 5.1 26 30 A E E > -I 29 0C 128 3,-3.3 3,-2.0 -2,-0.3 2,-0.4 -0.899 62.6 -33.2-157.5 125.8 -13.0 22.9 1.9 27 31 A G B 3 S-L 52 0D 24 25,-2.6 25,-3.2 -2,-0.3 348,-0.1 -0.507 125.8 -24.7 65.9-121.5 -12.3 21.8 -1.7 28 32 A V T 3 S+ 0 0 6 -2,-0.4 12,-2.8 23,-0.2 2,-0.4 0.438 122.6 92.4 -99.3 -2.2 -8.7 20.9 -2.0 29 33 A W E < -IJ 26 39C 49 -3,-2.0 -3,-3.3 10,-0.2 2,-0.3 -0.768 49.4-177.4-102.9 135.3 -7.7 23.2 0.9 30 34 A V E -IJ 25 38C 3 8,-2.6 8,-2.5 -2,-0.4 2,-0.3 -0.847 9.6-156.4-121.2 165.5 -7.4 22.3 4.6 31 35 A E E -IJ 24 37C 63 -7,-2.4 -8,-2.2 -2,-0.3 -7,-1.7 -0.996 6.5-139.6-150.8 133.5 -6.5 24.6 7.5 32 36 A D > - 0 0 8 4,-2.1 3,-1.2 -2,-0.3 -10,-0.2 -0.374 38.7 -96.3 -89.7 169.8 -5.0 24.2 10.9 33 37 A P T 3 S+ 0 0 40 0, 0.0 -11,-0.1 0, 0.0 -1,-0.1 0.833 124.0 54.2 -52.1 -40.6 -6.1 25.9 14.2 34 38 A E T 3 S- 0 0 115 2,-0.1 -3,-0.0 1,-0.0 0, 0.0 0.726 123.4-103.6 -65.1 -29.2 -3.5 28.6 13.8 35 39 A G < + 0 0 34 -3,-1.2 2,-0.3 1,-0.3 -1,-0.0 0.317 68.1 148.0 119.4 -6.1 -4.8 29.4 10.3 36 40 A N - 0 0 84 -5,-0.1 -4,-2.1 1,-0.1 2,-0.4 -0.444 35.6-146.6 -67.7 125.9 -2.2 27.8 8.1 37 41 A R E -J 31 0C 137 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.770 18.4-179.8 -95.4 136.3 -3.7 26.5 4.8 38 42 A Y E -J 30 0C 32 -8,-2.5 -8,-2.6 -2,-0.4 2,-0.5 -0.891 28.4-119.5-125.4 159.2 -2.4 23.4 3.0 39 43 A M E -Jk 29 357C 0 317,-3.3 319,-3.0 -2,-0.3 2,-0.9 -0.897 26.0-133.0 -97.6 126.3 -3.4 21.6 -0.2 40 44 A D E + k 0 358C 6 -12,-2.8 319,-0.1 -2,-0.5 317,-0.1 -0.694 30.1 171.2 -80.8 106.5 -4.5 18.0 0.4 41 45 A L S S+ 0 0 2 317,-2.6 329,-2.3 -2,-0.9 -1,-0.2 0.112 76.2 59.5 -96.8 19.0 -2.7 15.9 -2.2 42 46 A L S > S- 0 0 0 316,-0.2 4,-1.7 327,-0.1 3,-0.3 0.633 83.5-150.4-116.5 -28.3 -4.0 12.8 -0.5 43 47 A S H >>S- 0 0 0 1,-0.2 4,-3.5 2,-0.2 5,-1.7 0.879 72.4 -62.9 54.4 41.3 -7.8 13.3 -0.7 44 48 A A H 45S- 0 0 0 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.941 105.0 -45.4 47.1 55.0 -8.1 11.3 2.5 45 49 A Y H 45S- 0 0 39 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.881 116.7 -47.3 53.2 41.4 -6.6 8.3 0.8 46 50 A S H <5S+ 0 0 2 -4,-1.7 206,-0.7 324,-0.3 -2,-0.2 0.853 112.0 114.3 75.1 39.3 -8.9 9.0 -2.2 47 51 A A T <5S+ 0 0 0 -4,-3.5 3,-0.3 204,-0.2 2,-0.3 0.678 71.2 54.1-106.6 -28.5 -12.2 9.5 -0.3 48 52 A V > < + 0 0 1 -5,-1.7 3,-2.7 1,-0.2 -1,-0.1 -0.341 58.1 143.1-103.9 51.5 -12.8 13.2 -1.2 49 53 A N T 3 S+ 0 0 1 1,-0.3 324,-1.8 -2,-0.3 325,-0.4 0.824 78.9 52.8 -52.9 -31.9 -12.5 12.9 -4.9 50 54 A Q T 3 S- 0 0 2 -3,-0.3 -1,-0.3 1,-0.3 -23,-0.1 0.309 124.5-106.5 -87.3 8.4 -15.2 15.5 -4.9 51 55 A G X - 0 0 1 -3,-2.7 3,-0.6 3,-0.1 2,-0.3 -0.085 53.7 -45.7 85.1 167.4 -13.1 17.7 -2.6 52 56 A H B 3 S-L 27 0D 3 -25,-3.2 -25,-2.6 1,-0.2 -23,-0.1 -0.574 119.8 -10.4 -74.0 129.2 -13.6 18.4 1.1 53 57 A R T 3 S- 0 0 37 -2,-0.3 -1,-0.2 202,-0.3 203,-0.1 0.923 77.0-154.5 49.3 60.4 -17.2 19.2 2.0 54 58 A H X> - 0 0 21 -3,-0.6 4,-2.6 201,-0.3 3,-1.5 -0.500 16.9-129.6 -63.2 128.6 -18.7 19.6 -1.4 55 59 A P H 3> S+ 0 0 97 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.806 105.7 51.5 -56.3 -36.3 -21.7 21.9 -0.9 56 60 A K H 3> S+ 0 0 71 2,-0.2 4,-0.9 1,-0.2 239,-0.1 0.721 113.4 45.7 -72.4 -23.4 -24.2 19.6 -2.8 57 61 A I H <> S+ 0 0 1 -3,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.854 113.2 47.0 -86.9 -41.0 -23.1 16.6 -0.7 58 62 A I H X S+ 0 0 12 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.843 111.1 56.2 -62.6 -33.8 -23.2 18.5 2.6 59 63 A N H X S+ 0 0 86 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.868 105.4 48.7 -66.1 -38.7 -26.6 19.7 1.4 60 64 A A H X S+ 0 0 15 -4,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.786 107.3 57.6 -70.5 -28.3 -27.8 16.1 0.9 61 65 A L H X S+ 0 0 0 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.903 110.5 42.4 -66.2 -42.2 -26.5 15.4 4.4 62 66 A I H X S+ 0 0 55 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.939 111.4 52.9 -72.5 -49.8 -28.7 18.1 5.9 63 67 A D H >< S+ 0 0 94 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.914 116.0 40.7 -50.6 -48.1 -31.9 17.4 3.9 64 68 A Q H >X S+ 0 0 6 -4,-1.7 3,-1.4 1,-0.2 4,-1.3 0.762 106.6 63.4 -76.5 -24.9 -31.8 13.7 4.9 65 69 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.528 99.5 56.6 -76.2 -5.7 -30.8 14.6 8.5 66 70 A N T << S+ 0 0 96 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.245 114.8 35.9-104.7 9.3 -34.2 16.3 8.8 67 71 A R T <4 S- 0 0 79 -3,-1.4 351,-1.8 1,-0.1 2,-0.3 0.601 125.4 -40.7-120.7 -75.6 -36.1 13.2 7.8 68 72 A V < - 0 0 0 -4,-1.3 -2,-0.1 349,-0.2 3,-0.1 -0.941 38.7-173.5-163.4 142.1 -34.6 10.0 9.2 69 73 A T S S+ 0 0 3 -2,-0.3 218,-1.3 1,-0.3 2,-0.5 0.799 74.6 32.0-108.9 -42.9 -31.0 8.7 9.6 70 74 A L + 0 0 0 215,-0.1 2,-0.5 216,-0.1 -1,-0.3 -0.924 51.1 164.7-129.2 111.0 -31.3 5.2 10.8 71 75 A T - 0 0 8 -2,-0.5 6,-0.1 -3,-0.1 4,-0.0 -0.990 44.9-115.5-109.3 127.7 -34.0 2.7 10.0 72 76 A S > - 0 0 5 -2,-0.5 3,-2.2 1,-0.2 209,-0.1 -0.209 27.1-110.9 -53.2 152.3 -33.0 -0.9 10.9 73 77 A R T 3 S+ 0 0 26 1,-0.3 -1,-0.2 208,-0.2 336,-0.1 0.491 112.2 86.8 -66.8 -1.0 -32.7 -3.1 7.9 74 78 A A T 3 S+ 0 0 3 336,-0.1 337,-1.7 334,-0.1 -1,-0.3 0.587 99.2 32.0 -68.7 -10.9 -35.8 -4.7 9.5 75 79 A F S < S- 0 0 7 -3,-2.2 339,-0.2 335,-0.2 2,-0.1 -0.942 91.2-101.4-141.3 163.2 -37.7 -2.0 7.5 76 80 A H E -m 414 0E 12 337,-2.2 339,-2.1 335,-0.4 2,-0.3 -0.443 23.5-154.4 -80.5 156.2 -37.3 -0.1 4.3 77 81 A S E > -m 415 0E 4 337,-0.2 4,-0.5 -2,-0.1 339,-0.2 -0.839 22.9-126.5-117.1 165.2 -36.0 3.5 3.8 78 82 A D T 4 S+ 0 0 21 337,-0.6 338,-0.1 -2,-0.3 336,-0.0 0.330 105.4 55.0 -93.8 8.5 -37.0 5.7 0.8 79 83 A Q T > S+ 0 0 39 205,-0.1 4,-1.7 2,-0.1 -1,-0.2 0.680 91.4 67.7-108.1 -28.4 -33.4 6.3 -0.1 80 84 A L H > S+ 0 0 5 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.930 98.0 52.9 -61.4 -47.9 -32.0 2.8 -0.5 81 85 A G H X S+ 0 0 0 -4,-0.5 4,-2.3 1,-0.2 5,-0.2 0.959 110.9 43.7 -52.0 -63.1 -34.0 2.0 -3.6 82 86 A P H > S+ 0 0 41 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.817 115.2 52.1 -53.3 -34.2 -33.0 5.1 -5.6 83 87 A W H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 5,-0.3 0.935 106.3 51.7 -70.4 -48.6 -29.4 4.5 -4.5 84 88 A Y H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 3,-0.2 0.944 112.0 48.8 -45.8 -53.0 -29.4 0.8 -5.5 85 89 A E H X S+ 0 0 85 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.880 109.3 50.1 -59.5 -44.2 -30.6 2.0 -9.0 86 90 A K H X S+ 0 0 49 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.819 115.7 43.5 -68.1 -31.1 -28.0 4.7 -9.4 87 91 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 -3,-0.2 6,-0.2 0.819 111.8 53.0 -82.1 -34.0 -25.2 2.2 -8.5 88 92 A A H X>S+ 0 0 4 -4,-2.7 4,-1.7 -5,-0.3 5,-1.2 0.887 111.5 46.6 -66.1 -39.9 -26.7 -0.5 -10.6 89 93 A K H <5S+ 0 0 69 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.815 113.4 49.2 -71.4 -31.7 -26.8 1.8 -13.6 90 94 A L H <5S+ 0 0 47 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.886 122.1 32.5 -74.9 -40.8 -23.2 3.0 -12.9 91 95 A T H <5S- 0 0 1 -4,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.650 98.7-134.8 -87.1 -18.8 -21.8 -0.5 -12.6 92 96 A N T <5 + 0 0 130 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.883 61.3 135.2 59.7 38.7 -24.2 -2.0 -15.2 93 97 A K < - 0 0 19 -5,-1.2 -1,-0.3 -6,-0.2 173,-0.2 -0.855 61.8-127.3-118.8 155.8 -24.7 -4.8 -12.7 94 98 A E S S+ 0 0 92 -2,-0.3 2,-0.3 1,-0.1 172,-0.2 0.882 83.7 20.4 -75.9 -41.5 -28.0 -6.5 -11.6 95 99 A M E -N 265 0F 4 170,-2.6 170,-2.0 -7,-0.1 2,-0.3 -0.950 58.9-156.8-133.7 157.3 -27.8 -6.2 -7.8 96 100 A V E -No 264 404F 0 307,-2.5 309,-2.0 -2,-0.3 168,-0.2 -0.939 3.9-157.1-128.0 146.3 -25.9 -4.3 -5.1 97 101 A L E -N 263 0F 0 166,-1.7 166,-1.6 -2,-0.3 2,-0.2 -0.937 19.4-142.8-130.3 110.0 -25.2 -5.1 -1.5 98 102 A P E +N 262 0F 2 0, 0.0 164,-0.3 0, 0.0 2,-0.2 -0.437 26.9 159.5 -80.0 140.6 -24.5 -2.1 0.8 99 103 A M E -N 261 0F 4 162,-2.4 162,-1.6 -2,-0.2 185,-0.5 -0.667 39.5-121.4-133.9-165.3 -22.0 -2.0 3.7 100 104 A N S S+ 0 0 2 160,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.785 84.2 30.5-110.1 -46.0 -20.2 0.8 5.6 101 105 A T S > S- 0 0 2 1,-0.1 4,-2.0 149,-0.1 -1,-0.2 -0.750 76.2-115.0-117.4 162.9 -16.5 0.4 5.1 102 106 A G H > S+ 0 0 1 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.927 116.7 55.1 -59.5 -48.0 -14.3 -1.0 2.4 103 107 A A H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.884 108.1 50.8 -52.0 -41.2 -13.1 -3.9 4.6 104 108 A E H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 109.3 48.8 -64.6 -43.1 -16.7 -4.8 5.1 105 109 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.812 113.2 48.8 -66.9 -30.0 -17.4 -4.8 1.3 106 110 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.905 109.3 50.7 -73.5 -44.1 -14.3 -6.9 0.9 107 111 A E H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.897 109.9 52.3 -57.9 -40.7 -15.5 -9.3 3.7 108 112 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.910 107.7 51.0 -59.6 -44.2 -18.8 -9.4 1.8 109 113 A A H X S+ 0 0 1 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.918 108.1 52.9 -60.7 -45.0 -16.9 -10.3 -1.4 110 114 A I H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.943 111.5 44.8 -53.4 -52.6 -15.1 -13.1 0.4 111 115 A K H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.858 114.5 49.9 -63.7 -36.8 -18.3 -14.6 1.7 112 116 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.959 109.0 49.9 -66.4 -53.1 -20.0 -14.2 -1.8 113 117 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.906 114.0 45.7 -52.7 -47.9 -17.1 -15.9 -3.7 114 118 A R H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.935 112.7 48.2 -65.7 -47.8 -17.0 -18.9 -1.4 115 119 A R H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.876 114.4 47.7 -62.6 -36.3 -20.8 -19.4 -1.3 116 120 A W H X>S+ 0 0 10 -4,-2.7 5,-2.6 2,-0.2 4,-1.6 0.865 109.4 53.4 -69.5 -36.0 -20.9 -19.1 -5.1 117 121 A A H <5S+ 0 0 0 -4,-2.2 6,-3.9 -5,-0.3 -2,-0.2 0.860 119.7 34.3 -66.3 -35.4 -17.9 -21.5 -5.4 118 122 A Y H <5S+ 0 0 25 -4,-2.3 -2,-0.2 4,-0.3 -3,-0.2 0.935 126.8 36.1 -82.0 -53.9 -19.8 -24.1 -3.2 119 123 A D H <5S+ 0 0 78 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.916 135.8 16.6 -70.7 -45.3 -23.4 -23.5 -4.3 120 124 A V T <5S+ 0 0 82 -4,-1.6 -3,-0.2 -5,-0.4 -4,-0.1 0.916 134.3 36.0 -96.8 -57.2 -22.9 -22.7 -8.0 121 125 A K S - 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0 0 81 0, 0.0 4,-0.3 0, 0.0 21,-0.2 -0.461 35.6-147.0 -68.3 152.8 -44.3 -18.3 17.8 738 349 B A S > S+ 0 0 1 19,-1.8 4,-1.8 1,-0.1 3,-0.3 0.615 76.7 86.2 -99.9 -15.8 -44.2 -14.5 18.3 739 350 B R H > S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.895 85.2 56.3 -57.7 -45.0 -44.5 -13.2 14.7 740 351 B P H > S+ 0 0 56 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.915 111.2 43.5 -53.0 -46.0 -48.3 -13.3 14.6 741 352 B Y H > S+ 0 0 45 -3,-0.3 4,-1.8 -4,-0.3 -2,-0.2 0.779 108.1 59.2 -72.5 -27.3 -48.5 -11.0 17.7 742 353 B C H X S+ 0 0 9 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.856 106.5 48.8 -64.8 -35.3 -45.8 -8.8 16.2 743 354 B E H X S+ 0 0 69 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.866 108.4 53.0 -70.5 -38.3 -48.1 -8.3 13.2 744 355 B Q H X S+ 0 0 85 -4,-1.6 4,-0.6 1,-0.2 -2,-0.2 0.853 108.9 50.2 -64.5 -35.0 -51.0 -7.5 15.6 745 356 B L H X>S+ 0 0 2 -4,-1.8 5,-2.6 2,-0.2 4,-0.9 0.846 106.6 54.5 -73.4 -34.8 -48.8 -4.9 17.2 746 357 B K H ><5S+ 0 0 52 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.930 104.4 54.9 -60.7 -45.3 -47.9 -3.3 13.9 747 358 B A H 3<5S+ 0 0 91 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.715 109.7 47.9 -62.3 -20.9 -51.6 -3.0 13.1 748 359 B A H 3<5S- 0 0 36 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.572 129.1 -92.3 -98.3 -12.6 -52.0 -1.0 16.3 749 360 B G T <<5S+ 0 0 9 -3,-1.1 -317,-2.8 -4,-0.9 2,-0.4 0.685 85.7 118.1 111.1 25.6 -49.0 1.3 15.7 750 361 B L E < -a 432 0I 1 -5,-2.6 2,-0.5 -319,-0.2 -1,-0.3 -0.986 43.9-157.2-125.8 127.0 -46.1 -0.4 17.4 751 362 B L E +a 433 0I 3 -319,-3.0 -317,-3.1 -2,-0.4 2,-0.3 -0.899 31.1 132.1-108.1 124.0 -42.9 -1.6 15.6 752 363 B C - 0 0 8 -2,-0.5 2,-0.4 -10,-0.2 -317,-0.1 -0.961 39.2-131.3-156.9 162.5 -40.7 -4.4 17.0 753 364 B K - 0 0 55 -2,-0.3 8,-0.6 -319,-0.1 2,-0.1 -0.969 18.6-119.1-126.7 139.9 -39.1 -7.5 15.6 754 365 B E E -F 760 0L 48 -2,-0.4 2,-0.4 6,-0.2 6,-0.2 -0.416 22.0-167.9 -66.7 142.2 -38.9 -11.1 17.0 755 366 B T E > S+F 759 0L 13 4,-1.2 4,-0.5 -2,-0.1 -2,-0.0 -0.972 78.2 6.2-130.7 122.2 -35.6 -12.6 17.7 756 367 B H T 4 S- 0 0 114 -2,-0.4 2,-3.9 1,-0.2 4,-0.1 0.674 103.0-106.9 79.8 14.1 -35.5 -16.4 18.4 757 368 B E T 4 S+ 0 0 149 1,-0.3 -19,-1.8 2,-0.2 -18,-0.2 -0.160 113.8 64.5 74.7 -56.1 -39.2 -16.7 17.4 758 369 B N T 4 S+ 0 0 22 -2,-3.9 -24,-2.2 -21,-0.2 2,-0.4 0.769 94.1 70.0 -72.2 -26.8 -40.4 -17.3 21.0 759 370 B V E < -EF 733 755L 2 -4,-0.5 -4,-1.2 -26,-0.2 2,-0.5 -0.776 64.2-151.3-107.2 137.9 -39.5 -13.8 22.3 760 371 B I E -EF 732 754L 1 -28,-2.0 -28,-1.7 -2,-0.4 2,-0.2 -0.902 23.6-130.1-101.5 127.5 -40.9 -10.4 21.5 761 372 B R E -E 731 0L 2 -8,-0.6 2,-0.3 -2,-0.5 -30,-0.2 -0.511 21.4-175.6 -76.4 141.4 -38.4 -7.4 21.8 762 373 B I E +E 730 0L 2 -32,-2.3 -32,-1.9 -2,-0.2 -327,-0.2 -0.787 27.4 138.2-135.9 92.3 -39.3 -4.4 23.8 763 374 B A + 0 0 2 -329,-3.2 -324,-0.3 -2,-0.3 -325,-0.1 -0.538 22.0 173.5-139.1 69.9 -36.6 -1.7 23.4 764 375 B P - 0 0 2 0, 0.0 -330,-0.2 0, 0.0 -343,-0.1 -0.316 48.4 -78.2 -71.2 157.6 -38.0 1.8 23.0 765 376 B P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 -323,-0.2 -0.260 39.4-122.5 -53.3 145.7 -35.7 4.9 23.0 766 377 B L T 3 S+ 0 0 0 -324,-1.8 -323,-0.1 1,-0.3 -324,-0.1 0.497 109.4 67.3 -73.9 -2.3 -34.7 5.8 26.5 767 378 B V T 3 S+ 0 0 37 -325,-0.3 -1,-0.3 -347,-0.1 -346,-0.1 0.481 71.2 131.5 -91.3 -5.1 -36.2 9.3 25.9 768 379 B I < - 0 0 2 -3,-1.8 -348,-0.0 -348,-0.1 -324,-0.0 -0.212 57.3-124.2 -55.3 131.9 -39.7 7.8 25.7 769 380 B S > - 0 0 37 1,-0.1 4,-1.5 4,-0.0 5,-0.1 -0.181 17.6-112.9 -71.2 168.2 -42.2 9.7 27.9 770 381 B E H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.918 117.2 50.2 -66.7 -44.7 -44.2 8.1 30.7 771 382 B E H > S+ 0 0 162 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.951 111.6 46.5 -58.9 -52.6 -47.5 8.8 28.8 772 383 B D H > S+ 0 0 44 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.838 113.4 50.5 -61.0 -33.4 -46.1 7.3 25.6 773 384 B L H X S+ 0 0 2 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.856 112.3 46.8 -71.9 -35.4 -44.8 4.3 27.6 774 385 B E H X S+ 0 0 58 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.897 110.4 51.5 -71.7 -42.2 -48.2 3.9 29.2 775 386 B W H X S+ 0 0 74 -4,-3.3 4,-1.3 1,-0.2 -2,-0.2 0.860 112.4 48.9 -59.5 -35.5 -50.0 4.2 25.9 776 387 B A H X S+ 0 0 3 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.932 105.5 55.2 -70.5 -47.9 -47.6 1.5 24.7 777 388 B F H X S+ 0 0 7 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.891 107.3 51.8 -51.2 -43.2 -48.2 -0.9 27.7 778 389 B Q H X S+ 0 0 96 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.875 107.1 50.4 -67.0 -40.0 -51.9 -0.8 27.0 779 390 B K H X S+ 0 0 62 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.897 111.4 50.2 -63.1 -39.9 -51.6 -1.8 23.3 780 391 B I H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.841 109.2 51.8 -65.4 -34.6 -49.4 -4.6 24.4 781 392 B K H X S+ 0 0 91 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.863 105.0 55.1 -71.5 -36.8 -51.9 -5.7 26.9 782 393 B A H < S+ 0 0 77 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 115.9 38.8 -62.4 -35.7 -54.8 -5.8 24.4 783 394 B V H < S+ 0 0 22 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.846 122.3 38.2 -85.2 -37.2 -52.8 -8.1 22.2 784 395 B L H < 0 0 3 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.676 360.0 360.0 -94.2 -19.9 -51.2 -10.4 24.7 785 396 B S < 0 0 99 -4,-2.0 -68,-0.1 -5,-0.2 -70,-0.0 -0.027 360.0 360.0 -69.2 360.0 -54.0 -10.7 27.2