==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUL-10 3NUI . COMPND 2 MOLECULE: PYRUVATE TRANSAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO FLUVIALIS; . AUTHOR H.H.PARK,T.JANG . 844 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 586 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 38 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.6 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 0 1 0 0 0 0 3 2 4 1 0 2 0 2 4 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 8 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 PARALLEL BRIDGES PER LADDER . 5 0 4 6 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 . 0 0 3 0 1 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 30 A T 0 0 152 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.0 -33.4 -18.3 13.1 2 31 A V - 0 0 30 12,-0.0 483,-3.1 13,-0.0 2,-0.6 -0.756 360.0-140.1 -90.0 126.2 -32.1 -18.3 9.4 3 32 A V - 0 0 42 -2,-0.5 12,-2.1 481,-0.2 2,-0.5 -0.766 23.5-177.0 -87.5 119.7 -33.4 -21.0 7.1 4 33 A V E +A 14 0A 17 -2,-0.6 10,-0.2 481,-0.4 474,-0.2 -0.963 19.4 169.0-121.6 126.6 -30.7 -22.4 4.8 5 34 A T E - 0 0 75 8,-1.0 2,-0.3 -2,-0.5 9,-0.1 0.545 66.9 -24.3-110.9 -12.0 -31.3 -25.0 2.1 6 35 A H E -A 13 0A 64 7,-0.8 7,-2.3 471,-0.3 -1,-0.3 -0.978 57.8-117.4-175.1-173.1 -28.0 -24.9 0.2 7 36 A G E -A 12 0A 3 469,-0.5 2,-0.4 27,-0.3 5,-0.2 -0.811 9.5-144.8-141.5 177.1 -25.0 -22.8 -0.8 8 37 A E E > -A 11 0A 81 3,-2.3 3,-2.5 -2,-0.3 25,-0.1 -0.955 66.4 -44.8-149.5 115.1 -23.5 -21.4 -3.9 9 38 A G T 3 S- 0 0 16 -2,-0.4 25,-2.5 1,-0.3 27,-0.1 -0.323 127.7 -17.0 54.0-133.0 -19.8 -21.2 -4.4 10 39 A P T 3 S+ 0 0 5 0, 0.0 12,-3.0 0, 0.0 2,-0.4 0.338 120.6 98.5 -87.9 10.7 -18.4 -19.7 -1.0 11 40 A Y E < -AB 8 21A 20 -3,-2.5 -3,-2.3 10,-0.2 2,-0.4 -0.796 64.2-145.8-103.2 141.5 -21.9 -18.5 0.1 12 41 A I E -AB 7 20A 0 8,-2.6 8,-2.7 -2,-0.4 2,-0.5 -0.813 28.6-151.2 -89.7 136.7 -24.5 -20.0 2.4 13 42 A V E -AB 6 19A 11 -7,-2.3 -8,-1.0 -2,-0.4 -7,-0.8 -0.970 2.1-147.5-117.4 126.6 -27.8 -19.0 0.8 14 43 A D E > -A 4 0A 13 4,-2.3 3,-2.3 -2,-0.5 -10,-0.2 -0.381 36.4 -96.8 -86.4 170.6 -31.0 -18.5 2.9 15 44 A V T 3 S+ 0 0 87 -12,-2.1 -11,-0.1 1,-0.3 -1,-0.1 0.758 125.9 55.3 -59.6 -24.4 -34.5 -19.3 1.6 16 45 A N T 3 S- 0 0 149 -13,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.558 122.2-107.3 -85.3 -7.5 -35.0 -15.5 0.7 17 46 A G < + 0 0 45 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.545 66.5 150.9 95.5 8.8 -31.8 -15.6 -1.4 18 47 A R - 0 0 112 1,-0.0 -4,-2.3 2,-0.0 2,-0.4 -0.634 37.6-140.5 -73.3 137.6 -29.5 -13.6 0.9 19 48 A R E -B 13 0A 127 -2,-0.3 2,-0.6 -6,-0.2 -6,-0.2 -0.823 13.0-164.7-105.3 129.8 -25.9 -14.7 0.5 20 49 A Y E -B 12 0A 10 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.3 -0.957 23.8-130.3-118.7 112.8 -23.6 -15.0 3.5 21 50 A L E -Bc 11 383A 0 361,-2.2 363,-2.6 -2,-0.6 2,-1.3 -0.434 27.8-136.2 -61.9 120.3 -19.9 -15.2 2.5 22 51 A D E > + c 0 384A 0 -12,-3.0 3,-1.8 -2,-0.3 363,-0.1 -0.610 33.1 172.0 -98.7 93.1 -18.9 -18.2 4.6 23 52 A A T 3 S+ 0 0 0 361,-1.7 372,-3.4 -2,-1.3 363,-0.3 0.343 81.2 60.8 -79.5 7.6 -15.6 -17.6 6.3 24 53 A N T 3> S- 0 0 1 370,-0.2 4,-2.6 361,-0.1 5,-0.3 0.389 98.2-137.7 -98.3 -5.1 -16.0 -20.9 8.2 25 54 A S H <>> - 0 0 0 -3,-1.8 5,-2.4 3,-0.2 4,-2.4 0.925 60.2 -71.2 46.9 45.4 -16.2 -23.0 4.9 26 55 A G H 45S- 0 0 0 1,-0.2 455,-2.3 2,-0.2 456,-0.3 -0.555 120.9 -6.1 79.5 -96.4 -19.0 -25.0 6.4 27 56 A L H 45S- 0 0 35 -2,-1.3 -1,-0.2 453,-0.2 -2,-0.2 -0.449 117.9 -77.1-123.7 55.6 -17.1 -27.0 9.1 28 57 A W H <5S+ 0 0 9 -4,-2.6 229,-0.5 367,-0.2 -3,-0.2 0.890 123.7 84.4 54.1 38.8 -13.6 -25.8 8.0 29 58 A N T <5 + 0 0 19 -4,-2.4 2,-2.0 -5,-0.3 3,-0.3 0.540 46.8 96.5-141.5 -18.3 -13.9 -28.2 5.2 30 59 A M > < + 0 0 4 -5,-2.4 3,-2.3 1,-0.2 231,-0.1 -0.367 39.4 156.0 -85.7 63.2 -15.7 -26.8 2.1 31 60 A V T 3 S+ 0 0 0 -2,-2.0 367,-1.6 1,-0.3 368,-0.9 0.796 74.7 44.3 -60.8 -30.7 -12.6 -25.8 0.2 32 61 A A T 3 S- 0 0 2 1,-0.4 3,-0.3 228,-0.3 -1,-0.3 0.190 118.0-107.4 -99.6 16.7 -14.3 -25.9 -3.1 33 62 A G < - 0 0 0 -3,-2.3 3,-0.4 1,-0.2 -1,-0.4 -0.222 43.2 -67.6 81.9-179.1 -17.5 -24.1 -2.0 34 63 A F S S+ 0 0 2 -25,-2.5 -27,-0.3 1,-0.2 -1,-0.2 0.513 124.2 31.2 -95.0 -6.7 -21.0 -25.6 -1.5 35 64 A D + 0 0 58 -3,-0.3 -1,-0.2 -26,-0.1 2,-0.2 0.023 68.4 163.9-141.3 30.4 -22.0 -26.7 -5.0 36 65 A H > - 0 0 39 -3,-0.4 4,-2.2 1,-0.2 5,-0.2 -0.350 29.5-148.9 -57.8 119.2 -18.8 -27.6 -6.8 37 66 A K H > S+ 0 0 146 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.848 90.0 51.0 -65.7 -38.7 -20.1 -29.6 -9.8 38 67 A G H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 113.2 47.1 -66.7 -40.6 -17.1 -32.0 -10.3 39 68 A L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.923 113.2 47.6 -64.0 -47.6 -17.3 -33.0 -6.7 40 69 A I H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.922 112.8 49.3 -59.1 -46.8 -21.0 -33.5 -6.7 41 70 A D H X S+ 0 0 54 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.844 109.2 52.5 -59.9 -36.0 -20.8 -35.5 -9.9 42 71 A A H X S+ 0 0 21 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.869 109.0 49.6 -69.1 -38.6 -18.0 -37.7 -8.4 43 72 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.929 113.9 46.1 -60.4 -48.2 -20.2 -38.5 -5.4 44 73 A K H X S+ 0 0 50 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.883 109.2 54.1 -63.3 -43.0 -23.1 -39.4 -7.6 45 74 A A H X S+ 0 0 64 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.879 109.2 48.9 -61.5 -40.8 -21.0 -41.6 -9.9 46 75 A Q H X S+ 0 0 8 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.865 106.5 54.7 -68.9 -37.8 -19.7 -43.6 -7.0 47 76 A Y H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.876 111.1 46.7 -58.9 -35.4 -23.2 -44.2 -5.5 48 77 A E H < S+ 0 0 107 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.874 118.8 43.4 -75.6 -28.4 -24.3 -45.6 -8.9 49 78 A R H < S- 0 0 117 -4,-1.5 384,-0.5 1,-0.2 -2,-0.2 0.954 138.7 -21.2 -79.3 -57.5 -21.1 -47.7 -9.0 50 79 A F < - 0 0 0 -4,-3.0 -1,-0.2 382,-0.2 -2,-0.2 -0.737 60.7-169.5-161.6 97.6 -20.6 -49.2 -5.6 51 80 A P + 0 0 0 0, 0.0 2,-0.2 0, 0.0 248,-0.1 0.360 63.7 5.2 -88.5 5.8 -22.4 -47.3 -2.8 52 81 A G + 0 0 0 408,-0.1 2,-0.3 246,-0.1 630,-0.1 -0.841 59.1 141.1 178.7 141.8 -20.9 -49.0 0.3 53 82 A Y - 0 0 8 628,-0.3 2,-0.4 -2,-0.2 400,-0.1 -0.965 34.7-119.9-173.8 180.0 -18.4 -51.5 1.6 54 83 A H - 0 0 21 -2,-0.3 2,-0.5 243,-0.1 243,-0.1 -0.997 24.6-125.7-141.8 135.4 -15.8 -52.1 4.4 55 84 A A + 0 0 24 -2,-0.4 2,-0.3 238,-0.1 5,-0.2 -0.748 32.1 176.2 -90.6 129.4 -12.2 -52.5 4.0 56 85 A F B > -D 59 0B 36 3,-3.5 3,-1.7 -2,-0.5 2,-0.2 -0.795 46.3 -79.8-118.8 166.5 -10.6 -55.7 5.6 57 86 A F T 3 S+ 0 0 95 1,-0.3 231,-0.0 -2,-0.3 3,-0.0 -0.540 123.8 8.9 -63.3 127.6 -7.1 -57.1 5.5 58 87 A G T 3 S+ 0 0 37 -2,-0.2 370,-3.2 369,-0.1 2,-0.3 0.356 124.8 70.5 81.2 -4.5 -6.9 -58.8 2.1 59 88 A R E < +De 56 428B 27 -3,-1.7 -3,-3.5 368,-0.2 2,-0.3 -0.868 55.2 130.0-150.9 114.9 -10.2 -57.3 0.8 60 89 A M E - e 0 429B 44 368,-1.9 370,-2.6 -2,-0.3 -5,-0.1 -0.965 51.8 -82.7-151.2 165.7 -11.1 -53.7 -0.1 61 90 A S E > - e 0 430B 2 -2,-0.3 4,-2.0 368,-0.2 370,-0.2 -0.297 35.2-117.6 -68.4 154.9 -12.7 -51.5 -2.8 62 91 A D H > S+ 0 0 17 368,-2.5 4,-2.6 1,-0.2 5,-0.2 0.875 117.0 58.7 -57.7 -36.1 -10.8 -50.3 -5.9 63 92 A Q H > S+ 0 0 16 367,-0.3 4,-2.7 1,-0.2 5,-0.3 0.920 103.1 50.8 -59.5 -44.2 -11.5 -46.7 -4.4 64 93 A T H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 111.3 49.5 -56.0 -46.2 -9.6 -47.5 -1.2 65 94 A V H X S+ 0 0 55 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.933 112.9 45.4 -63.8 -45.5 -6.7 -48.8 -3.3 66 95 A M H X S+ 0 0 85 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.907 113.0 48.2 -66.4 -38.9 -6.6 -45.8 -5.5 67 96 A L H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.889 108.1 56.3 -71.3 -35.0 -6.8 -43.2 -2.7 68 97 A S H X S+ 0 0 26 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.971 109.9 45.0 -58.8 -50.9 -4.1 -45.0 -0.7 69 98 A E H X S+ 0 0 143 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.915 114.4 49.3 -56.9 -42.5 -1.7 -44.7 -3.6 70 99 A K H X S+ 0 0 61 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.915 109.2 51.5 -66.7 -41.5 -2.7 -41.0 -4.2 71 100 A L H X S+ 0 0 0 -4,-3.3 4,-1.2 2,-0.2 -2,-0.2 0.899 110.1 48.4 -63.6 -40.2 -2.2 -40.1 -0.5 72 101 A V H >< S+ 0 0 25 -4,-2.4 3,-0.8 -5,-0.2 5,-0.3 0.965 110.8 53.4 -63.4 -44.5 1.3 -41.7 -0.3 73 102 A E H 3< S+ 0 0 125 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.911 116.0 37.0 -54.0 -48.3 2.1 -39.7 -3.5 74 103 A V H 3< S+ 0 0 19 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.528 101.8 89.3 -86.6 -4.8 1.0 -36.4 -2.1 75 104 A S S << S- 0 0 8 -4,-1.2 164,-0.0 -3,-0.8 165,-0.0 -0.400 95.0-106.6 -76.9 168.4 2.4 -37.1 1.5 76 105 A P S S+ 0 0 56 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.445 92.8 97.2 -74.3 7.9 6.0 -36.1 2.3 77 106 A F - 0 0 16 -5,-0.3 -2,-0.2 1,-0.1 3,-0.1 -0.610 67.3-147.8-100.4 152.9 6.9 -39.8 2.2 78 107 A D S S- 0 0 166 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.688 89.1 -0.3 -84.8 -20.6 8.4 -41.9 -0.6 79 108 A S S S+ 0 0 64 -7,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.967 76.9 124.9-152.7 169.3 6.5 -44.9 0.6 80 109 A G - 0 0 23 -2,-0.3 2,-0.3 191,-0.2 191,-0.2 -0.983 45.6 -88.7 162.8-166.7 4.1 -45.8 3.4 81 110 A R E -I 270 0C 154 189,-2.2 189,-3.6 -2,-0.3 2,-0.4 -0.993 26.5-152.6-141.9 145.2 0.7 -47.3 4.2 82 111 A V E +I 269 0C 26 -2,-0.3 2,-0.3 187,-0.2 187,-0.2 -0.895 12.6 174.7-120.7 141.0 -2.8 -45.8 4.6 83 112 A F E -I 268 0C 21 185,-2.1 185,-2.6 -2,-0.4 2,-0.3 -0.901 19.7-140.1-134.0 170.3 -5.9 -46.7 6.6 84 113 A Y E +I 267 0C 7 210,-0.3 183,-0.2 -2,-0.3 2,-0.2 -0.870 17.3 176.8-130.1 164.5 -9.2 -44.8 6.9 85 114 A T E -I 266 0C 0 181,-1.7 181,-2.7 -2,-0.3 212,-0.1 -0.778 44.4 -97.9-149.2-178.1 -11.9 -44.0 9.5 86 115 A N S S+ 0 0 28 179,-0.3 2,-0.3 -2,-0.2 210,-0.1 0.538 93.7 0.6 -87.5 -9.0 -15.1 -41.9 9.6 87 116 A S S > S- 0 0 11 177,-0.1 4,-2.6 1,-0.1 179,-0.2 -0.985 73.8 -95.3-167.3 166.1 -13.6 -38.7 11.1 88 117 A G H > S+ 0 0 9 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.895 120.9 55.4 -55.0 -47.2 -10.6 -36.9 12.5 89 118 A S H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.929 111.3 43.2 -54.1 -50.2 -11.6 -37.9 16.0 90 119 A E H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.880 111.0 54.7 -66.0 -39.5 -11.5 -41.6 15.0 91 120 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.927 111.1 46.0 -56.7 -45.6 -8.3 -41.2 13.0 92 121 A N H X S+ 0 0 0 -4,-2.8 4,-2.7 30,-0.3 5,-0.2 0.957 114.1 48.1 -63.7 -46.9 -6.6 -39.7 16.1 93 122 A D H X S+ 0 0 15 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.918 114.0 47.1 -58.9 -45.1 -8.0 -42.5 18.4 94 123 A T H X S+ 0 0 21 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.880 109.3 52.5 -68.3 -37.3 -6.9 -45.2 16.0 95 124 A M H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.940 110.6 49.2 -58.1 -49.8 -3.4 -43.7 15.6 96 125 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-0.3 0.949 112.1 48.4 -53.4 -51.9 -3.0 -43.7 19.4 97 126 A K H X S+ 0 0 44 -4,-2.8 4,-3.3 1,-0.2 -1,-0.2 0.880 108.0 54.5 -60.8 -35.2 -4.2 -47.4 19.5 98 127 A M H X S+ 0 0 14 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.883 108.2 49.2 -65.7 -36.0 -1.9 -48.4 16.8 99 128 A L H X S+ 0 0 4 -4,-2.0 4,-3.1 -3,-0.3 5,-0.3 0.919 111.7 48.9 -69.8 -40.9 1.1 -46.9 18.7 100 129 A W H X S+ 0 0 27 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.968 114.1 47.0 -58.2 -48.9 -0.1 -48.8 21.8 101 130 A F H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.940 114.3 46.7 -56.8 -49.8 -0.3 -51.9 19.7 102 131 A L H X S+ 0 0 2 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.929 112.9 46.0 -59.1 -52.9 3.1 -51.4 18.1 103 132 A H H <>S+ 0 0 2 -4,-3.1 5,-3.0 1,-0.2 -1,-0.2 0.870 112.2 52.6 -63.2 -37.4 5.0 -50.6 21.3 104 133 A A H ><5S+ 0 0 10 -4,-2.5 3,-1.5 -5,-0.3 -1,-0.2 0.902 108.6 49.7 -62.0 -40.9 3.4 -53.6 23.0 105 134 A A H 3<5S+ 0 0 29 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.768 107.3 57.1 -69.8 -25.8 4.4 -55.9 20.2 106 135 A E T 3<5S- 0 0 69 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.158 126.4-100.2 -87.1 14.0 7.9 -54.5 20.5 107 136 A G T < 5S+ 0 0 59 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.715 99.2 101.5 76.3 20.2 8.1 -55.5 24.2 108 137 A K > < + 0 0 105 -5,-3.0 3,-2.1 -6,-0.2 -3,-0.1 -0.496 30.8 155.7-128.1 69.2 7.3 -52.1 25.6 109 138 A P T 3 S+ 0 0 55 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.570 71.3 65.6 -78.2 -2.5 3.7 -52.2 26.7 110 139 A Q T 3 S+ 0 0 84 -7,-0.2 2,-1.7 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0.790 72.3 -61.0 54.3 30.2 -28.0 -49.4 5.1 681 290 B G T 3 - 0 0 0 -21,-2.7 4,-2.2 -2,-0.4 5,-0.2 -0.145 37.8 -83.8 -74.3-179.1 -35.4 -42.1 26.4 692 301 B P H > S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.903 123.8 48.8 -56.1 -47.9 -37.7 -39.8 28.6 693 302 B E H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.946 115.9 39.8 -65.0 -49.2 -35.8 -40.2 31.8 694 303 B L H > S+ 0 0 4 -24,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.810 112.4 58.9 -68.1 -31.2 -32.3 -39.5 30.6 695 304 B S H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.968 110.6 41.9 -57.7 -51.2 -33.6 -36.7 28.3 696 305 B K H X S+ 0 0 109 -4,-2.3 4,-3.3 1,-0.2 5,-0.3 0.931 114.2 49.4 -65.1 -45.4 -35.0 -34.9 31.3 697 306 B R H X S+ 0 0 62 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.900 111.7 51.4 -58.8 -41.6 -32.0 -35.5 33.5 698 307 B L H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.961 113.5 43.3 -58.6 -49.7 -29.8 -34.2 30.7 699 308 B E H X S+ 0 0 61 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.894 114.8 49.0 -64.6 -42.3 -31.9 -31.0 30.3 700 309 B T H X S+ 0 0 71 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.836 114.4 45.9 -73.1 -27.2 -32.1 -30.4 34.0 701 310 B A H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.3 6,-0.3 0.830 106.7 58.0 -79.4 -32.9 -28.4 -30.9 34.4 702 311 B I H <>S+ 0 0 26 -4,-2.5 5,-1.0 -5,-0.2 4,-0.4 0.876 114.9 39.1 -60.1 -36.5 -27.5 -28.7 31.4 703 312 B E H <5S+ 0 0 142 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.896 114.4 51.3 -78.7 -44.6 -29.4 -25.9 33.1 704 313 B A H <5S+ 0 0 81 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.850 118.7 37.6 -64.4 -36.7 -28.3 -26.6 36.7 705 314 B I T <5S- 0 0 56 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.645 101.7-138.1 -83.8 -19.8 -24.6 -26.6 35.7 706 315 B E T 5 + 0 0 175 -4,-0.4 2,-0.3 -5,-0.2 -3,-0.2 0.853 67.8 108.5 53.1 38.7 -25.2 -23.8 33.2 707 316 B E < - 0 0 84 -5,-1.0 -2,-0.2 -6,-0.3 -1,-0.2 -0.980 62.2-143.7-139.0 134.1 -23.0 -25.5 30.7 708 317 B F - 0 0 113 -2,-0.3 2,-0.2 -3,-0.1 -6,-0.0 -0.842 37.6-107.7 -90.2 129.5 -24.0 -27.3 27.5 709 318 B P > - 0 0 1 0, 0.0 3,-1.3 0, 0.0 -572,-0.1 -0.345 35.6-120.7 -65.4 124.2 -21.7 -30.4 26.9 710 319 B H T 3 S+ 0 0 52 -574,-0.3 3,-0.1 1,-0.2 -3,-0.0 -0.267 89.9 22.6 -65.3 145.4 -19.3 -29.8 24.1 711 320 B G T 3 S+ 0 0 33 1,-0.3 2,-0.5 -586,-0.0 -1,-0.2 0.604 88.0 118.8 77.1 10.8 -19.4 -32.1 21.1 712 321 B F < - 0 0 12 -3,-1.3 2,-0.4 -203,-0.0 -1,-0.3 -0.951 42.2-179.4 -94.8 130.2 -23.0 -33.3 21.6 713 322 B T - 0 0 60 -2,-0.5 -203,-2.8 -203,-0.4 -3,-0.0 -0.984 37.5-169.9-140.7 137.7 -25.1 -32.4 18.6 714 323 B A S S+ 0 0 36 -2,-0.4 2,-1.3 -205,-0.2 -220,-0.1 0.476 76.6 92.1 -84.2 -9.7 -28.7 -32.8 17.6 715 324 B S - 0 0 29 -205,-0.1 -1,-0.1 -3,-0.1 -206,-0.1 -0.673 63.5-172.2 -93.3 88.0 -27.7 -31.6 14.2 716 325 B G - 0 0 2 -2,-1.3 -226,-0.1 1,-0.1 -225,-0.1 -0.326 43.9 -77.0 -74.9 160.6 -26.9 -34.8 12.2 717 326 B H > - 0 0 14 -206,-0.2 4,-2.9 1,-0.2 5,-0.2 -0.350 43.3-140.8 -57.9 125.9 -25.4 -34.7 8.7 718 327 B P H > S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.859 99.7 50.4 -69.6 -26.3 -28.3 -33.7 6.5 719 328 B V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.961 114.1 46.0 -65.7 -51.5 -27.3 -36.0 3.6 720 329 B G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.890 110.3 53.5 -52.6 -43.4 -27.0 -38.9 6.1 721 330 B C H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.910 110.6 46.5 -63.3 -41.9 -30.3 -38.0 7.7 722 331 B A H X S+ 0 0 15 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.912 112.8 48.7 -65.9 -40.1 -32.0 -38.1 4.3 723 332 B I H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 -2,-0.2 0.903 110.2 53.4 -67.1 -38.8 -30.4 -41.4 3.4 724 333 B A H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.905 104.6 54.2 -63.7 -43.9 -31.4 -42.8 6.9 725 334 B L H X S+ 0 0 42 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.908 113.0 43.7 -49.5 -47.2 -35.1 -41.8 6.3 726 335 B K H X S+ 0 0 58 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.961 113.8 49.6 -68.2 -50.1 -35.0 -43.8 3.1 727 336 B A H X S+ 0 0 1 -4,-3.4 4,-2.4 1,-0.2 5,-0.2 0.890 110.7 50.2 -55.8 -42.8 -33.1 -46.7 4.6 728 337 B I H X S+ 0 0 7 -4,-3.3 4,-2.6 -50,-0.3 5,-0.3 0.907 112.9 47.2 -62.8 -42.2 -35.6 -46.9 7.5 729 338 B D H X>S+ 0 0 66 -4,-1.9 4,-2.7 -5,-0.2 5,-0.6 0.917 111.9 50.0 -64.1 -44.1 -38.5 -46.9 5.1 730 339 B V H X5S+ 0 0 0 -4,-2.9 4,-1.8 3,-0.2 6,-1.0 0.950 116.1 41.7 -59.2 -45.3 -37.0 -49.5 2.8 731 340 B V H <5S+ 0 0 2 -4,-2.4 6,-2.6 -5,-0.2 7,-0.4 0.939 124.2 34.5 -74.2 -43.5 -36.2 -51.9 5.7 732 341 B M H <5S+ 0 0 64 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.859 132.0 24.8 -79.5 -38.6 -39.4 -51.4 7.6 733 342 B N H <5S+ 0 0 114 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.469 111.8 60.5-115.8 -7.3 -42.0 -51.0 4.7 734 343 B E S < S+ 0 0 37 -3,-0.2 4,-2.5 -4,-0.1 -4,-0.1 0.380 88.5 115.9 88.5 -1.5 -40.4 -56.1 3.1 736 345 B L H > S+ 0 0 16 -6,-1.0 4,-1.5 2,-0.2 -4,-0.2 0.947 82.1 43.5 -73.5 -45.8 -36.7 -56.5 4.2 737 346 B A H > S+ 0 0 19 -6,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.874 115.5 52.5 -61.2 -37.9 -37.2 -56.8 7.9 738 347 B E H > S+ 0 0 111 -7,-0.4 4,-3.1 1,-0.2 -2,-0.2 0.913 103.5 56.1 -61.0 -43.0 -40.1 -59.1 7.1 739 348 B N H X S+ 0 0 40 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.876 102.9 55.9 -57.7 -37.8 -37.9 -61.3 4.9 740 349 B V H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.972 111.0 43.8 -55.6 -54.0 -35.5 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14,-0.2 3,-0.1 -0.949 54.8-173.2-107.0 114.6 -18.8 -78.1 15.0 761 370 B G E - 0 0 9 12,-3.1 2,-0.3 -2,-0.6 -1,-0.2 0.875 63.6 -28.7 -75.1 -37.5 -19.2 -77.5 18.6 762 371 B E E -A 773 0I 32 11,-0.8 11,-2.5 2,-0.0 2,-0.3 -0.972 46.0-130.0-161.6 161.2 -22.4 -75.5 18.2 763 372 B Y E +A 772 0I 56 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.871 32.9 174.0-101.9 154.2 -24.5 -73.2 16.0 764 373 B R E +A 771 0I 18 7,-1.7 7,-3.1 -2,-0.3 2,-0.3 -0.976 20.8 85.1-150.9 155.5 -25.9 -70.0 17.6 765 374 B G E -A 770 0I 17 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.926 46.1-127.5 149.1-168.4 -27.8 -66.9 16.4 766 375 B I E > -A 769 0I 36 3,-2.0 3,-2.3 -2,-0.3 -109,-0.1 -0.908 69.7 -7.8-165.9 157.8 -31.3 -65.5 15.7 767 376 B G T 3 S- 0 0 5 -111,-0.3 -111,-0.2 -2,-0.3 -112,-0.1 -0.305 132.0 -19.1 51.9-118.1 -33.0 -63.8 12.7 768 377 B F T 3 S+ 0 0 0 -113,-2.9 2,-0.4 -114,-0.2 -1,-0.3 -0.063 119.1 85.0-112.8 34.2 -30.2 -63.1 10.2 769 378 B M E < +A 766 0I 0 -3,-2.3 -3,-2.0 -114,-0.3 2,-0.3 -0.970 53.2 153.2-133.3 120.2 -27.1 -63.3 12.5 770 379 B W E -AB 765 814I 4 44,-2.5 44,-3.0 -2,-0.4 2,-0.3 -0.963 22.6-159.9-142.8 157.9 -25.5 -66.7 13.1 771 380 B A E -AB 764 813I 1 -7,-3.1 -7,-1.7 -2,-0.3 2,-0.5 -0.989 9.3-151.3-138.9 153.0 -22.3 -68.4 14.0 772 381 B L E -AB 763 812I 8 40,-2.6 40,-2.3 -2,-0.3 2,-0.6 -0.982 16.9-148.6-117.4 133.5 -20.7 -71.8 13.7 773 382 B E E -AB 762 811I 12 -11,-2.5 -12,-3.1 -2,-0.5 -11,-0.8 -0.904 9.2-142.9-107.7 119.9 -18.0 -72.7 16.3 774 383 B A E -A 760 0I 3 36,-2.6 2,-0.4 -2,-0.6 -14,-0.2 -0.563 21.6-178.9 -78.4 135.9 -15.2 -75.1 15.3 775 384 B V - 0 0 2 -16,-2.0 3,-0.2 -2,-0.2 7,-0.1 -0.996 29.8-153.9-134.2 143.1 -13.9 -77.7 17.8 776 385 B K S S+ 0 0 114 6,-2.0 2,-0.4 -2,-0.4 -1,-0.1 0.856 97.3 23.2 -77.2 -44.0 -11.2 -80.3 17.7 777 386 B D B >> -D 782 0J 78 5,-2.4 5,-2.1 1,-0.1 4,-0.7 -0.941 69.0-166.0-126.4 113.0 -13.0 -82.5 20.3 778 387 B K T >45S+ 0 0 77 -2,-0.4 3,-0.8 -20,-0.4 -1,-0.1 0.900 83.7 54.5 -61.2 -47.2 -16.7 -82.0 20.7 779 388 B A T 345S+ 0 0 98 1,-0.3 -1,-0.2 2,-0.1 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4,-2.1 -4,-0.4 3,-0.3 0.865 21.2 175.7 46.5 50.7 -6.0 -70.7 12.5 790 399 B V H > S+ 0 0 0 -5,-0.3 4,-2.2 1,-0.3 -1,-0.1 0.822 70.7 49.0 -64.8 -36.0 -9.0 -72.9 11.6 791 400 B S H > S+ 0 0 5 18,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.878 109.9 52.9 -64.6 -44.4 -11.6 -70.1 11.2 792 401 B E H > S+ 0 0 76 -3,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.917 109.3 49.3 -56.5 -45.1 -9.2 -68.2 9.0 793 402 B R H X S+ 0 0 78 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.908 110.9 49.8 -64.3 -43.5 -8.8 -71.4 6.8 794 403 B I H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.955 113.8 44.7 -56.3 -50.6 -12.6 -71.8 6.6 795 404 B A H X S+ 0 0 4 -4,-2.8 4,-2.2 2,-0.2 10,-0.2 0.897 113.4 50.4 -65.8 -40.7 -13.1 -68.2 5.6 796 405 B N H X S+ 0 0 87 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.907 111.6 48.6 -63.0 -38.5 -10.2 -68.3 3.1 797 406 B T H X S+ 0 0 18 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.898 107.9 55.1 -65.9 -42.3 -11.7 -71.5 1.6 798 407 B C H ><>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 3,-0.7 0.938 105.2 52.8 -51.5 -49.2 -15.1 -69.8 1.4 799 408 B T H ><5S+ 0 0 24 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