==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-NOV-11 4A6R . COMPND 2 MOLECULE: OMEGA TRANSAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; . AUTHOR D.T.LOGAN,M.HAKANSSON,K.YENGO,M.SVEDENDAHL HUMBLE, . 845 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 608 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 5.2 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 39 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.8 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 4 2 4 2 0 0 2 2 2 6 0 0 2 0 2 2 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 . 6 0 4 6 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 . 0 0 4 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 34 A R 0 0 113 0, 0.0 2,-0.4 0, 0.0 481,-0.3 0.000 360.0 360.0 360.0 115.7 41.6 18.3 -4.5 2 35 A V - 0 0 59 479,-0.1 12,-1.9 480,-0.1 2,-0.3 -0.879 360.0-114.5-124.8 148.8 40.3 20.9 -2.1 3 36 A M E +A 13 0A 10 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.622 31.1 173.1 -78.1 134.0 36.9 22.3 -1.1 4 37 A T E - 0 0 78 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.695 56.5 -4.7-112.0 -30.0 36.4 25.9 -2.0 5 38 A R E -A 12 0A 110 7,-1.3 7,-2.6 469,-0.1 -1,-0.4 -0.993 47.1-150.8-167.3 150.5 32.8 26.8 -1.3 6 39 A G E +A 11 0A 17 -2,-0.3 2,-0.3 467,-0.3 5,-0.2 -0.998 16.7 170.2-132.4 140.1 29.4 25.6 -0.2 7 40 A E E > -A 10 0A 105 3,-2.5 3,-2.3 -2,-0.4 2,-0.4 -0.931 61.2 -39.4-150.4 127.5 26.0 27.0 -1.1 8 41 A G B 3 S-D 33 0B 23 25,-2.3 25,-2.4 -2,-0.3 387,-0.1 -0.444 126.7 -18.9 61.5-115.4 22.6 25.5 -0.4 9 42 A V T 3 S+ 0 0 0 -2,-0.4 12,-2.9 23,-0.2 2,-0.3 0.364 121.3 90.4-101.6 4.5 23.0 21.7 -1.0 10 43 A Y E < -AB 7 20A 28 -3,-2.3 -3,-2.5 10,-0.2 2,-0.3 -0.763 51.3-164.8-111.0 146.5 26.2 21.9 -3.1 11 44 A L E -AB 6 19A 0 8,-2.4 8,-3.3 -2,-0.3 2,-0.4 -0.896 13.7-153.1-113.8 151.3 29.9 21.9 -2.4 12 45 A W E -AB 5 18A 42 -7,-2.6 -8,-2.8 -2,-0.3 -7,-1.3 -0.969 5.2-153.1-123.9 147.5 32.5 23.0 -5.0 13 46 A D E > -A 3 0A 6 4,-1.5 3,-1.8 -2,-0.4 -10,-0.2 -0.557 36.6 -95.8-110.4 176.5 36.1 21.9 -5.3 14 47 A S T 3 S+ 0 0 69 -12,-1.9 -11,-0.1 1,-0.3 -1,-0.0 0.622 121.9 59.0 -68.4 -13.2 39.2 23.6 -6.7 15 48 A E T 3 S- 0 0 131 -13,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.412 119.2-107.4 -96.2 0.6 38.7 21.8 -10.0 16 49 A G < + 0 0 54 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.437 68.1 148.3 92.1 0.6 35.2 23.4 -10.5 17 50 A N - 0 0 55 1,-0.0 -4,-1.5 -5,-0.0 2,-0.5 -0.477 41.7-139.3 -72.3 137.3 33.2 20.3 -9.8 18 51 A K E -B 12 0A 96 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.862 20.3-163.1 -95.7 127.9 29.8 20.7 -8.2 19 52 A I E -B 11 0A 0 -8,-3.3 -8,-2.4 -2,-0.5 2,-0.7 -0.931 15.7-135.3-117.7 132.6 29.1 18.1 -5.5 20 53 A I E -Bc 10 378A 9 357,-2.3 359,-2.9 -2,-0.4 2,-1.5 -0.772 15.2-147.9 -85.4 117.4 25.7 17.3 -4.1 21 54 A D E > + c 0 379A 0 -12,-2.9 3,-1.2 -2,-0.7 359,-0.1 -0.655 23.5 172.7 -88.6 87.9 26.0 16.9 -0.3 22 55 A G T 3 S+ 0 0 0 -2,-1.5 368,-2.7 357,-0.9 -1,-0.2 0.345 76.3 51.0 -74.6 6.8 23.4 14.3 0.4 23 56 A M T 3> S- 0 0 5 366,-0.2 4,-1.9 357,-0.1 5,-0.3 0.347 99.1-128.8-124.4 2.2 24.5 14.1 4.0 24 57 A A H <>> - 0 0 0 -3,-1.2 5,-2.5 3,-0.2 4,-2.2 0.934 63.3 -67.3 47.8 58.3 24.4 17.8 5.1 25 58 A G H 45S- 0 0 15 1,-0.2 2,-0.8 2,-0.2 233,-0.1 -0.563 122.8 -4.4 67.8-121.4 28.0 17.7 6.5 26 59 A L H 45S- 0 0 95 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.2 -0.496 119.7 -75.6 -99.4 62.5 27.7 15.4 9.5 27 60 A W H <5S+ 0 0 21 -4,-1.9 -3,-0.2 -2,-0.8 -2,-0.2 0.744 122.9 87.9 59.5 24.2 23.9 15.0 9.2 28 61 A C T <5 + 0 0 9 -4,-2.2 2,-2.4 -5,-0.3 3,-0.3 0.586 40.2 97.4-134.2 -13.8 23.7 18.5 10.6 29 62 A V > < + 0 0 0 -5,-2.5 3,-1.3 1,-0.2 364,-0.1 -0.439 46.2 159.7 -84.9 68.0 23.8 21.4 8.1 30 63 A N T 3 + 0 0 1 -2,-2.4 363,-1.8 1,-0.3 364,-0.7 0.829 68.2 44.8 -69.3 -31.2 20.0 21.5 8.2 31 64 A V T 3 S- 0 0 5 -3,-0.3 -1,-0.3 1,-0.2 -23,-0.1 0.432 113.8-120.9 -90.0 2.2 19.6 25.1 6.8 32 65 A G < - 0 0 0 -3,-1.3 3,-0.4 -25,-0.1 -1,-0.2 -0.102 35.9 -53.3 83.3 174.2 22.2 24.4 4.1 33 66 A Y B S+D 8 0B 12 -25,-2.4 -25,-2.3 1,-0.2 -23,-0.1 -0.416 102.7 46.8 -85.2 158.7 25.5 26.1 3.2 34 67 A G + 0 0 32 -27,-0.2 2,-1.8 1,-0.2 -1,-0.2 0.671 54.8 157.4 90.5 20.6 26.2 29.7 2.6 35 68 A R >> + 0 0 38 -3,-0.4 3,-1.4 1,-0.2 4,-0.9 -0.536 7.7 171.4 -80.4 83.6 24.4 31.5 5.5 36 69 A K H 3> S+ 0 0 109 -2,-1.8 4,-1.7 1,-0.3 -1,-0.2 0.779 73.6 68.4 -65.0 -24.2 26.4 34.7 5.6 37 70 A D H 3> S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.817 94.3 56.3 -62.8 -28.6 23.9 36.0 8.1 38 71 A F H <> S+ 0 0 0 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.885 103.8 53.1 -71.7 -36.0 25.2 33.5 10.6 39 72 A A H X S+ 0 0 0 -4,-0.9 4,-2.7 1,-0.2 -2,-0.2 0.886 108.5 50.4 -63.0 -39.2 28.7 35.0 10.1 40 73 A E H X S+ 0 0 76 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.891 108.6 51.9 -65.8 -39.1 27.3 38.4 10.9 41 74 A A H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.915 112.8 45.1 -63.3 -41.7 25.6 37.1 14.0 42 75 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 113.3 50.1 -66.9 -44.7 28.9 35.6 15.2 43 76 A R H X S+ 0 0 58 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.933 112.0 47.5 -57.7 -49.5 30.8 38.8 14.3 44 77 A R H X S+ 0 0 124 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.932 113.7 46.4 -61.4 -46.5 28.4 41.0 16.2 45 78 A Q H X S+ 0 0 23 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.884 113.4 49.4 -67.3 -35.9 28.3 38.8 19.3 46 79 A M H < S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.847 113.8 44.9 -73.7 -32.5 32.1 38.5 19.4 47 80 A E H < S+ 0 0 66 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.882 122.9 36.6 -73.3 -37.8 32.7 42.3 19.0 48 81 A E H < S- 0 0 118 -4,-2.3 383,-0.3 -5,-0.2 -2,-0.2 0.950 137.0 -21.3 -82.8 -52.5 30.0 43.2 21.5 49 82 A L < + 0 0 14 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.497 55.1 163.9-166.7 79.6 30.1 40.6 24.3 50 83 A P S S+ 0 0 14 0, 0.0 242,-0.4 0, 0.0 2,-0.3 0.540 70.1 49.5 -84.6 -2.6 31.7 37.1 23.7 51 84 A F - 0 0 18 240,-0.1 2,-0.3 239,-0.1 239,-0.0 -0.872 56.3-168.2-127.7 157.9 31.9 36.3 27.5 52 85 A Y - 0 0 38 -2,-0.3 2,-0.4 235,-0.1 7,-0.1 -0.863 18.8-139.5-131.9 172.7 29.9 36.4 30.5 53 86 A N > - 0 0 14 -2,-0.3 3,-1.8 5,-0.1 5,-0.2 -0.999 16.9-135.0-138.0 140.3 31.1 36.1 34.1 54 87 A T T 3 S+ 0 0 60 -2,-0.4 -1,-0.1 1,-0.3 233,-0.0 0.607 97.3 85.1 -70.4 -11.2 29.7 34.2 37.1 55 88 A F T 3 S+ 0 0 20 2,-0.1 -1,-0.3 748,-0.0 2,-0.2 0.867 87.0 67.3 -49.6 -35.6 30.5 37.4 39.1 56 89 A F S < S- 0 0 4 -3,-1.8 371,-0.1 2,-0.1 -4,-0.0 -0.611 79.4-146.2 -88.0 146.3 27.1 38.3 37.8 57 90 A K S S+ 0 0 191 369,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.372 75.1 90.3 -90.3 4.6 24.0 36.5 38.9 58 91 A T S S- 0 0 43 368,-0.3 2,-0.3 -5,-0.2 -5,-0.1 -0.602 78.1-116.5-102.8 158.6 22.5 36.9 35.5 59 92 A T - 0 0 47 -2,-0.2 228,-0.1 1,-0.1 -2,-0.1 -0.710 43.1 -93.9 -90.4 145.3 22.6 34.8 32.3 60 93 A H >> - 0 0 8 -2,-0.3 4,-2.2 1,-0.1 3,-0.9 -0.349 35.6-126.8 -56.6 133.2 24.2 36.2 29.2 61 94 A P H 3> S+ 0 0 72 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.790 107.2 57.4 -58.8 -34.6 21.4 37.8 27.1 62 95 A A H 3> S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.846 109.9 45.5 -60.1 -36.7 22.3 35.8 23.9 63 96 A V H <> S+ 0 0 6 -3,-0.9 4,-2.9 2,-0.2 5,-0.2 0.902 111.1 52.1 -75.4 -40.5 21.8 32.6 25.9 64 97 A V H X S+ 0 0 74 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.935 111.1 48.6 -56.5 -46.3 18.6 33.9 27.4 65 98 A E H X S+ 0 0 105 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.916 112.1 48.4 -61.4 -44.8 17.4 34.7 23.9 66 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.939 112.2 48.1 -62.0 -45.9 18.3 31.3 22.6 67 100 A S H X S+ 0 0 32 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.897 110.0 52.2 -64.4 -39.9 16.7 29.5 25.5 68 101 A S H X S+ 0 0 74 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.905 113.1 44.4 -62.3 -41.8 13.5 31.5 25.1 69 102 A L H >X S+ 0 0 9 -4,-2.1 4,-0.9 1,-0.2 3,-0.7 0.922 111.0 53.7 -69.5 -44.7 13.2 30.7 21.4 70 103 A L H >X S+ 0 0 3 -4,-2.9 4,-2.5 1,-0.2 3,-1.2 0.906 102.2 58.8 -55.8 -40.9 14.1 27.0 22.0 71 104 A A H 3< S+ 0 0 36 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.842 101.5 56.0 -58.1 -34.3 11.2 26.8 24.5 72 105 A E H << S+ 0 0 120 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.735 116.9 34.1 -69.0 -25.1 8.8 27.9 21.7 73 106 A V H << S+ 0 0 10 -3,-1.2 -2,-0.2 -4,-0.9 -1,-0.2 0.608 102.6 80.1-109.7 -17.7 9.9 25.0 19.4 74 107 A T S < S- 0 0 12 -4,-2.5 3,-0.1 -5,-0.2 4,-0.1 -0.525 92.7 -89.2 -81.3 159.9 10.7 22.2 21.8 75 108 A P > - 0 0 25 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.091 60.6 -71.2 -57.6 164.3 7.8 20.1 23.3 76 109 A A T 3 S+ 0 0 101 1,-0.2 193,-0.1 2,-0.1 -4,-0.0 -0.286 114.2 30.5 -57.3 141.3 6.1 21.1 26.5 77 110 A G T 3 S+ 0 0 37 -3,-0.1 192,-0.6 191,-0.1 3,-0.3 0.429 84.6 104.4 97.3 2.3 8.0 20.8 29.7 78 111 A F < + 0 0 14 -3,-1.0 189,-0.2 190,-0.2 190,-0.1 -0.076 29.0 125.9-110.1 34.1 11.6 21.3 28.5 79 112 A D + 0 0 120 187,-0.1 2,-0.6 -8,-0.1 -1,-0.2 0.809 56.4 82.9 -63.7 -27.2 12.4 24.9 29.7 80 113 A R E +E 267 0C 112 187,-0.8 187,-2.9 -3,-0.3 2,-0.4 -0.684 61.2 175.6 -85.2 116.8 15.5 23.7 31.6 81 114 A V E -E 266 0C 13 -2,-0.6 2,-0.6 204,-0.2 185,-0.2 -0.967 21.1-161.5-124.8 136.0 18.4 23.5 29.1 82 115 A F E -E 265 0C 29 183,-2.6 183,-2.5 -2,-0.4 2,-0.2 -0.964 21.6-146.3-116.3 109.4 22.1 22.6 29.9 83 116 A Y E +E 264 0C 10 -2,-0.6 206,-0.3 201,-0.4 181,-0.3 -0.562 21.6 173.1 -81.0 147.2 24.3 23.7 27.0 84 117 A T E -E 263 0C 11 179,-2.4 179,-1.9 -2,-0.2 206,-0.2 -0.712 42.0-109.2-133.9-177.1 27.5 21.9 26.0 85 118 A N S S+ 0 0 36 177,-0.3 2,-0.3 -2,-0.2 177,-0.1 0.540 91.8 5.5 -95.7 -5.2 30.0 22.1 23.2 86 119 A S S > S- 0 0 12 175,-0.2 4,-2.2 165,-0.1 177,-0.2 -0.991 72.5-102.5-166.3 163.8 29.0 18.9 21.4 87 120 A G H > S+ 0 0 15 -2,-0.3 4,-2.2 175,-0.3 5,-0.2 0.859 120.1 56.5 -62.0 -35.0 26.6 16.0 21.1 88 121 A S H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 108.5 46.0 -64.3 -43.9 29.2 13.8 22.8 89 122 A E H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.865 109.7 55.9 -63.7 -37.8 29.4 16.1 25.7 90 123 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.929 108.5 46.7 -59.7 -44.7 25.6 16.2 25.9 91 124 A V H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.931 112.5 50.1 -63.6 -44.8 25.4 12.5 26.1 92 125 A D H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.933 112.6 46.4 -60.1 -44.6 28.1 12.4 28.8 93 126 A T H X S+ 0 0 7 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.909 109.3 55.4 -64.3 -42.0 26.3 15.1 30.8 94 127 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.899 104.8 53.3 -58.7 -40.6 22.9 13.2 30.4 95 128 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.943 111.0 45.8 -60.7 -46.6 24.5 10.1 31.9 96 129 A R H X S+ 0 0 51 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.895 112.9 51.7 -63.0 -39.3 25.6 12.0 34.9 97 130 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.914 107.7 50.7 -63.7 -44.6 22.2 13.7 35.2 98 131 A V H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.921 113.5 45.2 -60.5 -44.5 20.3 10.5 35.1 99 132 A R H X S+ 0 0 41 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.923 113.6 49.0 -67.6 -41.5 22.4 8.9 37.8 100 133 A R H X S+ 0 0 71 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.883 104.4 60.7 -66.6 -36.8 22.3 12.0 40.0 101 134 A Y H X S+ 0 0 18 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.937 106.7 45.5 -54.5 -47.7 18.5 12.2 39.7 102 135 A W H <>S+ 0 0 18 -4,-1.5 5,-2.8 1,-0.2 -1,-0.2 0.865 108.8 56.0 -69.3 -33.4 18.1 8.8 41.2 103 136 A D H ><5S+ 0 0 56 -4,-1.8 3,-1.8 1,-0.2 -1,-0.2 0.929 107.4 49.5 -55.8 -47.4 20.6 9.7 44.0 104 137 A V H 3<5S+ 0 0 48 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.859 106.6 56.3 -63.9 -33.9 18.4 12.7 44.9 105 138 A Q T 3<5S- 0 0 83 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.454 121.5-108.4 -75.0 -2.5 15.3 10.4 44.9 106 139 A G T < 5S+ 0 0 58 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.763 89.8 114.1 78.6 25.0 17.0 8.2 47.5 107 140 A K > < + 0 0 107 -5,-2.8 3,-1.8 -6,-0.1 -3,-0.1 -0.553 28.8 162.5-125.5 68.4 17.6 5.4 45.1 108 141 A P T 3 S+ 0 0 71 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.618 71.6 63.1 -64.3 -15.2 21.5 5.2 44.8 109 142 A E T 3 S+ 0 0 133 -7,-0.1 2,-1.7 1,-0.1 3,-0.3 0.621 77.5 91.6 -80.1 -16.9 21.3 1.7 43.3 110 143 A K < + 0 0 6 -3,-1.8 75,-0.2 1,-0.2 -8,-0.2 -0.606 51.5 117.0 -85.3 85.4 19.4 2.8 40.2 111 144 A K + 0 0 52 -2,-1.7 2,-0.4 73,-1.2 74,-0.2 0.484 31.0 108.4-134.5 -7.7 22.4 3.5 38.1 112 145 A T E -f 185 0C 26 72,-2.6 74,-2.6 -3,-0.3 75,-1.4 -0.643 47.7-158.3 -84.8 129.1 22.4 1.2 35.0 113 146 A L E -fg 187 145C 0 31,-2.6 33,-2.4 -2,-0.4 2,-0.5 -0.871 7.4-148.1-101.0 139.9 21.6 2.7 31.7 114 147 A I E +fg 188 146C 0 73,-2.5 75,-2.5 -2,-0.4 33,-0.2 -0.940 24.9 160.2-110.4 125.8 20.4 0.5 28.9 115 148 A G E - 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0 0 41 -2,-0.6 -8,-0.2 -8,-0.2 4,-0.0 -0.418 25.2-100.4 -80.8 158.9 43.9 25.9 58.8 783 394 B F - 0 0 12 -10,-0.5 3,-0.4 -2,-0.1 -1,-0.1 -0.465 43.3-107.2 -69.1 150.9 40.4 27.2 59.6 784 395 B P S S+ 0 0 93 0, 0.0 5,-0.3 0, 0.0 4,-0.2 -0.327 102.2 34.1 -71.3 165.0 37.7 24.5 60.2 785 396 B D S > S- 0 0 108 1,-0.2 3,-2.4 2,-0.1 4,-0.2 0.886 95.7-135.4 55.6 44.2 35.1 23.9 57.5 786 397 B F T 3 S+ 0 0 80 -3,-0.4 -1,-0.2 1,-0.3 22,-0.1 0.038 86.6 36.1 -36.4 118.8 37.7 24.7 54.8 787 398 B G T 3> S+ 0 0 16 -3,-0.2 4,-2.2 20,-0.1 -1,-0.3 -0.122 91.9 87.6 121.5 -33.4 36.0 26.9 52.3 788 399 B E H <> S+ 0 0 125 -3,-2.4 4,-1.7 -4,-0.2 -2,-0.1 0.924 94.4 41.9 -65.0 -44.2 33.8 29.0 54.6 789 400 B I H > S+ 0 0 18 -5,-0.3 4,-2.3 2,-0.2 5,-0.2 0.893 111.8 55.6 -70.8 -37.0 36.5 31.6 55.3 790 401 B G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.908 106.9 51.5 -58.1 -41.9 37.6 31.7 51.6 791 402 B T H X S+ 0 0 61 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.915 107.7 51.9 -63.3 -42.0 34.0 32.5 50.7 792 403 B L H X S+ 0 0 26 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.929 113.3 44.1 -58.4 -47.1 33.9 35.4 53.2 793 404 B C H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-0.2 0.925 111.7 52.8 -67.4 -45.0 37.0 36.9 51.8 794 405 B R H X S+ 0 0 58 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.898 105.1 55.6 -55.8 -43.4 35.9 36.3 48.2 795 406 B D H X S+ 0 0 64 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.874 105.4 52.5 -60.2 -36.3 32.6 38.1 48.9 796 407 B I H X S+ 0 0 1 -4,-1.4 4,-1.2 -3,-0.2 -1,-0.2 0.952 109.5 48.7 -64.2 -46.1 34.6 41.2 50.1 797 408 B F H ><>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 3,-0.8 0.943 111.7 49.8 -54.3 -49.9 36.6 41.2 46.9 798 409 B F H ><5S+ 0 0 43 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.879 105.7 55.0 -61.8 -39.5 33.4 41.0 44.9 799 410 B R H 3<5S+ 0 0 160 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.771 109.5 50.2 -64.5 -24.0 31.8 43.8 46.8 800 411 B N T <<5S- 0 0 44 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.114 121.8-108.1-101.4 19.3 34.8 45.9 45.8 801 412 B N T < 5S+ 0 0 35 -3,-1.8 -356,-2.5 1,-0.2 2,-0.4 0.812 78.2 128.1 60.6 37.4 34.6 45.0 42.1 802 413 B L E < -r 445 0G 0 -5,-2.2 2,-0.8 -358,-0.2 -1,-0.2 -0.992 48.9-147.6-123.2 125.1 37.6 42.7 42.1 803 414 B I E +r 446 0G 8 -358,-2.8 -356,-1.0 -2,-0.4 2,-0.3 -0.838 36.6 142.3 -96.3 105.3 37.4 39.2 40.8 804 415 B M - 0 0 0 -2,-0.8 2,-0.3 -10,-0.2 9,-0.2 -0.965 41.8-126.7-130.0 152.5 39.6 36.7 42.5 805 416 B R E -C 812 0K 97 7,-1.6 7,-2.8 -2,-0.3 2,-0.5 -0.679 6.0-141.5-103.3 147.6 38.5 33.1 43.2 806 417 B A E -C 811 0K 19 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.930 11.7-174.9-104.0 130.9 38.4 31.0 46.4 807 418 B C E > S-C 810 0K 10 3,-2.8 3,-2.4 -2,-0.5 2,-0.2 -0.948 76.3 -51.2-118.8 101.3 39.2 27.3 46.2 808 419 B G T 3 S- 0 0 28 -2,-0.5 -21,-0.1 1,-0.3 -186,-0.1 -0.503 121.4 -27.4 57.0-131.1 38.5 26.2 49.7 809 420 B D T 3 S+ 0 0 0 -2,-0.2 -36,-2.6 -19,-0.1 2,-0.4 0.296 117.6 108.1 -95.7 10.8 40.4 28.8 51.8 810 421 B H E < -BC 772 807K 3 -3,-2.4 -3,-2.8 -38,-0.2 2,-0.5 -0.733 60.0-150.5 -81.4 135.1 42.9 29.3 49.0 811 422 B I E -BC 771 806K 0 -40,-2.6 -40,-1.9 -2,-0.4 2,-0.3 -0.932 21.2-171.1-106.0 128.5 42.6 32.7 47.2 812 423 B V E -BC 770 805K 0 -7,-2.8 -7,-1.6 -2,-0.5 2,-0.3 -0.871 14.2-172.3-126.9 152.6 43.7 32.5 43.6 813 424 B S E +B 769 0K 0 -44,-2.2 -44,-2.2 -2,-0.3 -365,-0.2 -0.997 16.0 162.9-145.3 141.4 44.4 34.9 40.7 814 425 B A - 0 0 0 -367,-2.8 -46,-0.1 -2,-0.3 -362,-0.1 -0.520 23.2-177.7-154.8 76.7 45.2 34.5 37.0 815 426 B P - 0 0 0 0, 0.0 -368,-0.2 0, 0.0 -381,-0.1 -0.222 44.4 -68.7 -76.2 170.5 44.6 37.8 35.3 816 427 B P > - 0 0 0 0, 0.0 3,-1.7 0, 0.0 -361,-0.2 -0.272 45.7-124.5 -55.2 142.4 45.0 38.4 31.5 817 428 B L T 3 S+ 0 0 0 -362,-1.7 -361,-0.1 1,-0.3 -76,-0.1 0.670 105.2 68.4 -67.3 -19.2 48.6 38.2 30.6 818 429 B V T 3 + 0 0 43 -363,-0.6 -1,-0.3 -385,-0.1 -384,-0.1 0.440 68.9 134.1 -79.2 -3.4 48.5 41.7 29.0 819 430 B M < - 0 0 0 -3,-1.7 2,-0.1 -386,-0.1 -78,-0.0 -0.198 50.6-136.4 -49.1 132.8 48.1 43.4 32.5 820 431 B T > - 0 0 58 1,-0.1 4,-2.5 -79,-0.0 5,-0.2 -0.442 24.0-104.7 -85.2 168.2 50.4 46.4 32.9 821 432 B R H > S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.886 123.7 54.1 -60.4 -36.5 52.4 47.2 36.0 822 433 B A H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 108.9 48.0 -64.6 -39.3 49.9 49.9 36.8 823 434 B E H > S+ 0 0 38 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.888 109.6 52.8 -68.8 -38.9 47.1 47.4 36.5 824 435 B V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.955 113.0 44.6 -56.3 -50.4 48.9 44.9 38.8 825 436 B D H X S+ 0 0 44 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.884 111.6 52.3 -68.5 -33.8 49.4 47.6 41.4 826 437 B E H X S+ 0 0 59 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.941 112.1 46.6 -61.0 -48.4 45.7 48.8 41.0 827 438 B M H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.922 112.9 49.2 -59.0 -47.0 44.5 45.2 41.6 828 439 B L H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.848 107.5 54.3 -65.5 -34.9 46.8 44.7 44.5 829 440 B A H X S+ 0 0 54 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.903 110.7 45.8 -67.8 -39.6 45.8 47.9 46.2 830 441 B V H X S+ 0 0 20 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.953 114.6 48.3 -63.7 -46.8 42.1 46.9 46.0 831 442 B A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.897 109.3 53.1 -61.0 -40.8 43.0 43.4 47.3 832 443 B E H X S+ 0 0 70 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.934 109.0 48.6 -60.3 -46.0 45.1 44.9 50.1 833 444 B R H X S+ 0 0 130 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.904 111.2 51.8 -60.7 -40.3 42.2 47.1 51.3 834 445 B C H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.894 108.0 50.6 -64.6 -40.3 39.9 44.0 51.1 835 446 B L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.858 106.2 55.2 -68.0 -32.8 42.3 42.0 53.3 836 447 B E H X S+ 0 0 84 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.922 111.2 45.3 -62.5 -42.7 42.4 44.7 55.9 837 448 B E H X S+ 0 0 63 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.905 110.6 54.4 -65.0 -41.3 38.6 44.5 56.0 838 449 B F H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.941 108.6 47.7 -56.2 -49.3 38.9 40.7 56.2 839 450 B E H X S+ 0 0 9 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.916 112.9 49.0 -60.9 -41.9 41.2 40.9 59.2 840 451 B Q H X S+ 0 0 132 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.910 111.4 49.5 -63.0 -42.8 38.9 43.3 60.9 841 452 B T H X S+ 0 0 27 -4,-2.8 4,-2.1 2,-0.2 6,-0.2 0.890 107.8 53.9 -64.1 -42.0 35.8 41.2 60.2 842 453 B L H <>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 6,-0.7 0.939 111.5 45.5 -55.7 -49.8 37.6 38.1 61.6 843 454 B K H ><5S+ 0 0 121 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.943 112.0 51.5 -59.9 -48.9 38.4 39.9 64.8 844 455 B A H 3<5S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.834 110.9 48.3 -59.4 -33.9 34.8 41.3 65.1 845 456 B R T 3<5S- 0 0 159 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.436 113.9-114.9 -89.8 0.6 33.3 37.8 64.6 846 457 B G T < 5S+ 0 0 65 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.736 86.7 112.4 74.6 25.2 35.6 36.2 67.2 847 458 B L < 0 0 73 -5,-2.7 -4,-0.2 -6,-0.2 -5,-0.1 0.443 360.0 360.0-109.4 -3.0 37.3 34.0 64.6 848 459 B A 0 0 56 -6,-0.7 -1,-0.1 -5,-0.1 -5,-0.1 0.727 360.0 360.0 -76.7 360.0 40.8 35.5 64.6