==== 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 03-DEC-08 3FFH . COMPND 2 MOLECULE: HISTIDINOL-PHOSPHATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA INNOCUA; . AUTHOR K.TAN,M.GU,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL GENOMI . 706 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 494 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.1 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 . 54 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.6 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 1 0 1 3 3 4 4 1 4 1 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 PARALLEL BRIDGES PER LADDER . 2 4 0 2 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 . 2 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 N 0 0 156 0, 0.0 2,-0.1 0, 0.0 562,-0.0 0.000 360.0 360.0 360.0 130.6 65.1 77.0 74.9 2 0 A A - 0 0 33 1,-0.1 2,-0.1 533,-0.0 562,-0.1 -0.338 360.0 -92.0 -89.8 168.8 64.9 77.7 78.7 3 1 A X - 0 0 12 1,-0.1 2,-1.9 -2,-0.1 -1,-0.1 -0.334 51.4 -96.8 -69.6 164.9 62.1 78.9 81.0 4 2 A K - 0 0 53 531,-0.6 -1,-0.1 501,-0.2 3,-0.1 -0.448 55.0-176.6 -88.3 67.0 61.9 82.6 81.5 5 3 A W - 0 0 35 -2,-1.9 447,-0.2 1,-0.1 446,-0.1 -0.336 33.7 -99.2 -69.8 144.9 63.9 82.8 84.7 6 4 A K > - 0 0 22 445,-2.2 3,-0.9 1,-0.1 4,-0.2 -0.265 26.8-127.9 -58.5 150.1 64.3 86.1 86.4 7 5 A K G > S+ 0 0 191 1,-0.2 3,-1.6 2,-0.1 4,-0.3 0.762 100.5 73.1 -75.1 -22.8 67.6 87.8 85.7 8 6 A S G 3 S+ 0 0 34 1,-0.3 3,-0.5 112,-0.2 -1,-0.2 0.628 82.5 73.0 -66.9 -14.0 68.4 88.4 89.4 9 7 A L G X S+ 0 0 8 -3,-0.9 3,-1.6 1,-0.2 -1,-0.3 0.699 76.7 77.8 -73.0 -21.5 69.1 84.6 89.8 10 8 A A T < S+ 0 0 96 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.882 89.9 54.9 -53.9 -44.1 72.4 84.9 87.9 11 9 A G T 3 S+ 0 0 50 -3,-0.5 2,-0.4 -4,-0.3 -1,-0.3 0.033 86.4 108.9 -85.4 26.3 74.2 86.3 90.9 12 10 A L < - 0 0 16 -3,-1.6 585,-0.1 1,-0.1 586,-0.1 -0.866 58.6-147.5-104.6 143.2 73.2 83.4 93.2 13 11 A S 0 0 89 -2,-0.4 -1,-0.1 1,-0.1 584,-0.1 0.999 360.0 360.0 -73.4 -75.8 75.7 80.8 94.4 14 12 A S 0 0 122 583,-0.3 -1,-0.1 582,-0.1 583,-0.1 -0.594 360.0 360.0-161.1 360.0 74.2 77.3 94.9 15 ! 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 16 17 A K > 0 0 137 0, 0.0 4,-0.8 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -31.8 74.8 65.5 106.9 17 18 A R H >> + 0 0 65 398,-0.2 4,-2.4 1,-0.2 5,-0.6 0.925 360.0 75.3 -59.2 -55.5 78.5 65.6 107.8 18 19 A E H >5S+ 0 0 68 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.692 106.2 23.3 -30.6 -67.0 78.7 63.4 111.0 19 20 A E H >5S+ 0 0 167 -3,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.905 126.2 44.2 -76.7 -45.2 78.4 59.8 109.6 20 21 A E H X5S+ 0 0 105 -4,-0.8 4,-3.0 2,-0.2 3,-0.2 0.943 116.3 43.7 -69.3 -50.4 79.5 60.1 106.0 21 22 A V H <5S+ 0 0 14 -4,-2.4 5,-0.2 -5,-0.3 -1,-0.2 0.887 111.8 54.6 -61.1 -42.6 82.6 62.3 106.6 22 23 A X H XXS+ 0 0 67 -4,-1.0 4,-1.8 -5,-0.6 5,-1.8 0.791 116.2 37.5 -66.2 -32.3 83.8 60.3 109.6 23 24 A A H <5S+ 0 0 72 -4,-1.2 2,-1.5 2,-0.2 -2,-0.2 0.824 107.6 65.5 -82.8 -38.4 83.7 57.1 107.6 24 25 A E T <5S+ 0 0 126 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.165 122.0 21.3 -73.9 41.7 85.0 58.9 104.5 25 26 A L T 45S- 0 0 72 -2,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.061 104.4-122.8-169.7 -44.1 88.2 59.4 106.7 26 27 A G T <5 + 0 0 65 -4,-1.8 2,-0.3 -5,-0.2 -3,-0.2 0.925 49.7 154.8 83.5 51.9 88.0 56.7 109.3 27 28 A L < - 0 0 31 -5,-1.8 -1,-0.2 1,-0.1 3,-0.1 -0.786 50.1-122.6-100.8 152.8 88.2 58.6 112.6 28 29 A T S S- 0 0 143 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.973 87.7 -15.0 -56.7 -58.5 86.7 57.1 115.8 29 30 A K - 0 0 139 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.828 65.8-141.9-137.3 174.8 84.3 60.0 116.4 30 31 A I - 0 0 11 -2,-0.3 2,-0.5 -3,-0.1 291,-0.2 -0.959 6.3-141.4-138.9 153.8 84.0 63.5 115.1 31 32 A T E -a 321 0A 21 289,-2.5 291,-2.8 -2,-0.3 2,-0.7 -0.987 12.0-146.8-122.4 126.8 83.0 66.8 116.8 32 33 A K E +a 322 0A 76 -2,-0.5 291,-0.1 289,-0.2 3,-0.1 -0.820 31.6 155.8 -95.2 114.5 80.8 69.3 114.9 33 34 A L + 0 0 3 289,-3.0 305,-2.5 -2,-0.7 291,-0.5 -0.231 53.2 88.8-128.7 41.9 81.7 72.9 115.8 34 35 A S S S+ 0 0 0 289,-0.3 289,-0.1 303,-0.2 -1,-0.1 0.535 76.5 52.4-117.4 -16.1 80.3 74.4 112.5 35 36 A S S S- 0 0 40 2,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.518 83.4-133.2-111.9 -4.1 76.6 75.1 113.0 36 37 A N + 0 0 2 1,-0.2 2,-0.3 263,-0.1 263,-0.1 0.542 57.3 138.5 66.3 5.5 76.3 77.3 116.2 37 38 A E S S- 0 0 46 1,-0.1 -1,-0.2 184,-0.1 181,-0.2 -0.655 77.4 -77.8 -76.0 141.7 73.4 75.2 117.6 38 39 A N > - 0 0 8 180,-1.6 3,-1.9 -2,-0.3 -1,-0.1 -0.182 41.3-160.4 -47.7 110.5 74.1 74.8 121.3 39 40 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.2 0, 0.0 302,-0.1 0.734 90.9 63.0 -70.6 -15.5 76.8 72.1 121.6 40 41 A L T 3 S- 0 0 51 1,-0.3 2,-0.3 300,-0.1 -2,-0.1 0.506 105.5-140.6 -82.5 -3.5 75.7 71.6 125.2 41 42 A G < - 0 0 28 -3,-1.9 -1,-0.3 -4,-0.0 2,-0.2 -0.637 34.9 -33.2 92.7-136.0 72.3 70.5 123.9 42 43 A T - 0 0 21 -2,-0.3 179,-0.1 -3,-0.1 178,-0.1 -0.717 69.4 -81.1-123.1 168.6 69.0 71.3 125.4 43 44 A S > - 0 0 7 177,-0.4 4,-2.5 -2,-0.2 5,-0.1 -0.393 44.0-113.6 -69.7 158.2 67.7 71.8 128.9 44 45 A K H > S+ 0 0 179 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.718 116.0 52.4 -68.9 -22.9 67.0 68.5 130.8 45 46 A K H > S+ 0 0 126 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.901 108.4 48.9 -78.4 -46.6 63.2 69.3 131.0 46 47 A V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.962 112.7 51.6 -51.6 -49.3 63.1 69.8 127.2 47 48 A A H X S+ 0 0 26 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.923 105.5 52.8 -53.0 -52.2 65.0 66.5 126.9 48 49 A A H X S+ 0 0 58 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.877 109.2 50.1 -56.6 -40.1 62.6 64.6 129.2 49 50 A I H >< S+ 0 0 41 -4,-1.9 3,-0.9 -3,-0.2 -1,-0.2 0.954 111.8 47.9 -62.4 -50.9 59.6 65.8 127.0 50 51 A Q H >< S+ 0 0 19 -4,-2.3 3,-1.8 1,-0.2 359,-0.6 0.933 109.8 51.5 -51.6 -53.4 61.4 64.6 123.8 51 52 A A H 3< S+ 0 0 48 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.647 112.1 48.6 -63.9 -16.2 62.3 61.2 125.3 52 53 A N T << S+ 0 0 151 -3,-0.9 2,-0.4 -4,-0.8 -1,-0.3 -0.075 99.9 81.2-112.2 32.9 58.7 60.8 126.2 53 54 A S < - 0 0 22 -3,-1.8 356,-1.7 -5,-0.0 357,-0.1 -0.944 68.6-144.7-145.9 111.9 57.3 61.8 122.9 54 55 A S B -B 408 0B 52 -2,-0.4 354,-0.2 354,-0.2 351,-0.2 -0.335 38.5 -96.4 -73.6 161.2 57.1 59.4 119.8 55 56 A V S S+ 0 0 2 352,-2.0 2,-0.4 349,-1.2 350,-0.1 0.547 89.9 116.6 -60.7 -7.7 57.7 60.7 116.2 56 57 A E + 0 0 114 351,-0.2 2,-0.3 348,-0.2 353,-0.1 -0.532 45.7 161.4 -61.7 116.7 53.8 61.0 115.9 57 58 A T - 0 0 14 -2,-0.4 2,-0.3 194,-0.1 -2,-0.0 -0.995 32.1-143.8-153.9 131.2 53.5 64.8 115.4 58 59 A E - 0 0 103 -2,-0.3 193,-2.5 2,-0.1 2,-0.6 -0.748 18.0-128.7-100.7 144.9 50.9 67.3 114.0 59 60 A I B C 250 0C 57 -2,-0.3 191,-0.2 191,-0.2 520,-0.0 -0.839 360.0 360.0 -87.7 122.4 51.5 70.5 112.0 60 61 A Y 0 0 117 189,-1.7 -2,-0.1 -2,-0.6 187,-0.1 -0.260 360.0 360.0 52.6 360.0 49.6 73.3 113.8 61 ! 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 62 66 A A > 0 0 20 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 21.0 50.4 78.5 118.7 63 67 A S H > + 0 0 89 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.887 360.0 42.0 -59.7 -60.7 48.3 79.8 121.6 64 68 A S H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.871 117.6 52.6 -51.3 -40.9 50.1 78.5 124.7 65 69 A L H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.941 110.6 42.5 -64.6 -50.4 53.4 79.4 123.0 66 70 A R H X S+ 0 0 40 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.869 116.4 49.6 -68.1 -34.7 52.6 83.1 122.2 67 71 A K H X S+ 0 0 108 -4,-2.5 4,-3.0 -5,-0.3 5,-0.2 0.965 113.8 46.7 -60.9 -50.2 51.0 83.5 125.6 68 72 A E H X S+ 0 0 39 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.854 118.8 39.4 -62.8 -42.0 54.2 82.0 127.2 69 73 A V H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 6,-0.2 0.877 115.4 51.7 -75.2 -43.0 56.6 84.0 125.1 70 74 A A H X>S+ 0 0 1 -4,-2.8 5,-2.6 -5,-0.3 4,-0.8 0.930 113.9 45.7 -59.3 -44.4 54.5 87.3 125.4 71 75 A D H ><5S+ 0 0 88 -4,-3.0 3,-0.7 -5,-0.2 -2,-0.2 0.917 108.1 55.9 -61.9 -47.2 54.4 86.8 129.2 72 76 A F H 3<5S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.844 119.2 33.3 -57.0 -33.4 58.1 86.0 129.4 73 77 A Y H 3<5S- 0 0 16 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.469 107.0-120.7-100.7 -3.0 58.9 89.3 127.7 74 78 A Q T <<5 + 0 0 133 -4,-0.8 2,-0.2 -3,-0.7 -3,-0.2 0.818 68.1 136.4 65.0 33.1 56.0 91.4 129.1 75 79 A L < - 0 0 13 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.632 62.8-101.2-104.5 163.7 54.8 92.1 125.5 76 80 A E > - 0 0 93 -2,-0.2 3,-2.1 1,-0.1 4,-0.1 -0.667 32.8-122.7 -78.0 143.1 51.3 92.0 124.1 77 81 A E G > S+ 0 0 63 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.835 109.8 64.0 -57.4 -35.4 50.6 88.8 122.2 78 82 A E G 3 S+ 0 0 145 1,-0.3 -1,-0.3 3,-0.0 159,-0.2 0.492 89.4 69.4 -71.3 -1.1 49.8 90.7 119.0 79 83 A E G < S+ 0 0 0 -3,-2.1 153,-2.3 158,-0.1 2,-0.4 0.394 91.3 79.9 -93.1 5.5 53.4 92.0 118.9 80 84 A L E < -D 231 0D 1 -3,-1.8 2,-0.4 151,-0.2 151,-0.2 -0.893 51.6-175.6-116.7 138.0 54.6 88.5 118.1 81 85 A I E -D 230 0D 0 149,-1.8 149,-2.1 -2,-0.4 2,-0.4 -0.998 16.9-149.6-123.0 136.7 54.8 86.5 114.9 82 86 A F E +D 229 0D 2 -2,-0.4 2,-0.3 147,-0.2 147,-0.3 -0.867 18.2 178.7-109.5 147.8 56.0 82.9 115.0 83 87 A T E -D 228 0D 1 145,-2.8 145,-3.1 -2,-0.4 2,-2.5 -0.921 44.5 -98.0-148.3 151.2 57.8 81.3 112.1 84 88 A A S S- 0 0 32 -2,-0.3 4,-0.3 163,-0.2 143,-0.3 -0.422 101.2 -32.5 -78.3 70.2 59.4 77.9 111.2 85 89 A G S >> S- 0 0 0 -2,-2.5 4,-1.0 141,-0.1 3,-0.7 0.099 77.3 -85.9 93.1 149.7 62.9 79.3 112.0 86 90 A V H 3> S+ 0 0 10 1,-0.2 4,-2.5 141,-0.2 5,-0.2 0.778 122.9 68.7 -54.8 -28.8 64.3 82.8 111.7 87 91 A D H 3> S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 96.9 50.1 -63.5 -41.9 65.2 82.0 108.1 88 92 A E H <> S+ 0 0 27 -3,-0.7 4,-3.0 -4,-0.3 -1,-0.2 0.865 109.1 52.4 -59.2 -40.0 61.5 81.8 107.1 89 93 A L H X S+ 0 0 0 -4,-1.0 4,-2.9 2,-0.2 -2,-0.2 0.937 107.8 51.4 -62.8 -47.2 60.9 85.2 108.7 90 94 A I H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.899 112.7 45.6 -51.2 -49.0 63.9 86.7 106.7 91 95 A E H X S+ 0 0 14 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.924 111.4 53.1 -62.3 -47.7 62.3 85.3 103.5 92 96 A L H X S+ 0 0 6 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.917 109.2 49.4 -48.3 -52.7 58.8 86.6 104.6 93 97 A L H X S+ 0 0 1 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.882 110.9 48.3 -57.7 -43.5 60.3 90.1 105.1 94 98 A T H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.800 109.7 53.7 -73.1 -26.5 62.0 90.2 101.7 95 99 A R H < S+ 0 0 9 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.759 110.7 45.3 -80.8 -24.9 58.8 89.0 100.0 96 100 A V H < S+ 0 0 0 -4,-1.5 266,-2.4 -5,-0.2 -1,-0.2 0.694 128.3 21.3 -87.2 -17.2 56.7 91.7 101.4 97 101 A L H < S+ 0 0 4 -4,-1.1 2,-0.5 264,-0.2 -2,-0.2 0.466 103.2 75.1-134.2 -4.5 59.1 94.6 100.8 98 102 A L < + 0 0 0 -4,-1.6 2,-0.3 -5,-0.1 -1,-0.1 -0.955 42.7 132.8-124.3 132.2 61.6 93.9 98.1 99 103 A D S > S- 0 0 28 -2,-0.5 3,-2.3 23,-0.1 25,-0.3 -0.876 70.8 -64.5-150.9-169.0 61.4 93.8 94.3 100 104 A T T 3 S+ 0 0 94 1,-0.3 22,-0.1 21,-0.3 24,-0.0 0.684 128.8 53.3 -55.6 -21.8 63.2 95.1 91.2 101 105 A T T 3 S+ 0 0 83 22,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.367 102.0 71.7 -98.3 5.6 62.4 98.8 92.1 102 106 A T < - 0 0 19 -3,-2.3 22,-2.3 20,-0.0 2,-0.3 -0.664 59.1-154.1-114.8 167.5 63.8 98.7 95.7 103 107 A N E -ef 124 149D 4 45,-2.1 47,-1.9 -2,-0.2 48,-0.7 -0.942 6.5-158.9-131.5 165.3 67.1 98.5 97.4 104 108 A T E -ef 125 151D 0 20,-2.3 22,-3.0 -2,-0.3 2,-0.4 -0.968 11.2-136.8-138.6 148.7 68.1 97.2 100.8 105 109 A V E +ef 126 152D 0 46,-2.2 48,-2.8 -2,-0.3 2,-0.3 -0.938 31.0 149.3-118.3 139.1 71.1 98.0 103.0 106 110 A X E -e 127 0D 0 20,-2.0 22,-3.1 -2,-0.4 48,-0.1 -0.975 41.4-101.4-154.8 158.0 73.3 95.6 104.9 107 111 A A E -e 128 0D 1 46,-0.5 3,-0.2 -2,-0.3 29,-0.1 -0.352 42.0-106.6 -75.9 160.8 76.8 95.1 106.2 108 112 A T E S+e 129 0D 51 20,-2.0 22,-2.5 1,-0.3 222,-0.1 -0.978 99.0 29.8-140.8 132.1 79.4 92.8 104.5 109 113 A P S S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 52,-0.3 0.504 92.6 125.7 -77.3 141.3 80.3 90.1 105.6 110 114 A T S S- 0 0 17 -3,-0.2 5,-0.1 50,-0.1 48,-0.0 -0.831 71.1 -37.9-142.5-177.4 77.1 89.2 107.4 111 115 A F >> - 0 0 45 48,-0.3 3,-1.1 -2,-0.2 4,-0.5 -0.262 57.7-137.1 -47.3 123.9 74.6 86.3 107.5 112 116 A V H 3> S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.695 92.3 72.8 -61.7 -23.7 74.4 85.2 103.9 113 117 A Q H 3> S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.767 87.6 61.2 -68.4 -27.0 70.6 84.8 103.9 114 118 A Y H <> S+ 0 0 1 -3,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.947 113.0 37.5 -59.3 -46.4 69.8 88.5 103.9 115 119 A R H X S+ 0 0 87 -4,-0.5 4,-2.9 -3,-0.3 5,-0.2 0.938 113.6 55.7 -73.5 -51.4 71.7 88.9 100.6 116 120 A Q H X S+ 0 0 29 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.907 112.2 42.2 -41.4 -56.7 70.4 85.7 99.1 117 121 A N H X S+ 0 0 7 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.806 112.1 54.8 -70.6 -30.0 66.8 86.6 99.6 118 122 A A H X>S+ 0 0 0 -4,-1.4 5,-1.8 -5,-0.2 4,-0.7 0.932 108.9 48.2 -65.3 -47.2 67.3 90.1 98.5 119 123 A L H <5S+ 0 0 26 -4,-2.9 3,-0.4 2,-0.2 -2,-0.2 0.865 109.4 52.2 -60.1 -41.7 68.8 89.0 95.2 120 124 A I H <5S+ 0 0 5 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.943 108.0 50.9 -61.6 -47.8 66.0 86.5 94.5 121 125 A E H <5S- 0 0 8 -4,-1.8 -21,-0.3 -5,-0.1 -1,-0.3 0.658 118.7-117.6 -65.9 -15.0 63.4 89.2 95.0 122 126 A G T <5 + 0 0 15 -4,-0.7 -3,-0.2 -3,-0.4 -23,-0.1 0.473 61.9 149.0 93.5 4.6 65.4 91.2 92.6 123 127 A A < - 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0 0 53 -5,-1.8 -1,-0.2 1,-0.2 3,-0.1 -0.786 39.1-154.1-102.8 147.1 30.6 66.7 122.3 382 29 B T S S+ 0 0 125 -2,-0.3 -1,-0.2 1,-0.3 2,-0.1 0.713 77.9 23.4 -78.9-109.6 32.6 63.5 122.8 383 30 B K S S- 0 0 162 1,-0.0 2,-0.5 2,-0.0 -1,-0.3 -0.367 70.1-169.6 -62.3 124.2 34.1 62.1 119.6 384 31 B I - 0 0 33 -3,-0.1 2,-0.5 -2,-0.1 292,-0.2 -0.982 11.6-146.2-113.4 133.6 34.5 64.9 117.0 385 32 B T E -m 676 0F 28 290,-2.4 292,-2.9 -2,-0.5 2,-0.6 -0.882 5.0-146.1-107.0 129.0 35.4 63.7 113.6 386 33 B K E +m 677 0F 95 -2,-0.5 292,-0.1 290,-0.2 290,-0.0 -0.834 32.6 154.2 -98.0 120.6 37.6 65.9 111.4 387 34 B L + 0 0 3 290,-2.7 306,-2.3 -2,-0.6 292,-0.5 -0.142 47.3 94.1-137.6 42.0 36.9 65.8 107.7 388 35 B S S S+ 0 0 14 290,-0.3 2,-0.3 304,-0.2 290,-0.1 0.646 75.7 53.4-109.8 -26.5 38.2 69.2 106.6 389 36 B S S S- 0 0 43 2,-0.1 304,-0.1 304,-0.0 2,-0.1 -0.862 81.5-124.8-111.6 152.3 41.8 68.5 105.4 390 37 B N + 0 0 4 -2,-0.3 2,-0.3 2,-0.1 264,-0.1 -0.035 60.6 134.7 -96.2 35.9 42.6 65.9 102.8 391 38 B E S S- 0 0 62 1,-0.1 182,-0.2 185,-0.1 183,-0.1 -0.622 77.7 -84.6 -70.9 139.3 45.1 63.9 104.9 392 39 B N > - 0 0 6 181,-1.7 3,-1.4 180,-0.3 -1,-0.1 -0.293 37.5-152.8 -49.9 116.1 44.4 60.2 104.5 393 40 B P T 3 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 303,-0.1 0.717 93.3 60.1 -68.2 -22.3 41.6 59.6 107.2 394 41 B L T 3 S- 0 0 79 1,-0.3 2,-0.3 301,-0.1 -2,-0.1 0.526 103.3-138.6 -83.2 -6.2 42.8 56.0 107.4 395 42 B G < - 0 0 30 -3,-1.4 -1,-0.3 6,-0.0 2,-0.2 -0.699 38.0 -42.3 92.8-139.4 46.3 57.0 108.5 396 43 B T - 0 0 27 -2,-0.3 180,-0.1 1,-0.2 179,-0.1 -0.615 69.5 -68.2-118.6 174.4 49.4 55.3 107.2 397 44 B S > - 0 0 6 178,-0.3 4,-2.5 -2,-0.2 -1,-0.2 -0.261 43.9-118.9 -46.9 152.2 50.7 51.8 106.4 398 45 B K H > S+ 0 0 180 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.826 118.8 54.4 -62.8 -37.4 51.2 49.6 109.5 399 46 B K H > S+ 0 0 130 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.903 110.1 44.6 -65.6 -41.7 54.8 49.4 108.4 400 47 B V H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.905 111.2 54.7 -67.2 -41.1 55.0 53.2 108.3 401 48 B A H X S+ 0 0 41 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.876 103.0 56.6 -57.2 -39.8 53.2 53.3 111.7 402 49 B A H X S+ 0 0 53 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.805 105.4 51.4 -63.3 -33.6 55.8 51.0 113.2 403 50 B I H >< S+ 0 0 24 -4,-1.0 3,-0.6 -3,-0.5 4,-0.2 0.928 109.4 49.3 -68.9 -47.8 58.6 53.4 112.3 404 51 B Q H >< S+ 0 0 29 -4,-1.9 3,-2.1 1,-0.2 -349,-1.2 0.971 112.0 47.2 -52.5 -56.5 56.8 56.4 113.9 405 52 B A H 3< S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.685 110.5 57.3 -60.3 -16.6 56.2 54.4 117.2 406 53 B N T << S+ 0 0 144 -3,-0.6 2,-0.4 -4,-0.5 -1,-0.3 0.360 96.3 77.5 -94.5 0.9 59.9 53.4 117.0 407 54 B S < - 0 0 22 -3,-2.1 -352,-2.0 -4,-0.2 2,-0.4 -0.934 62.1-150.9-124.1 137.7 61.4 56.9 116.9 408 55 B S B >> -B 54 0B 36 -2,-0.4 3,-1.9 -354,-0.2 4,-0.6 -0.877 22.0-134.5-101.6 134.4 61.9 59.5 119.6 409 56 B V T 34 S+ 0 0 0 -356,-1.7 -185,-0.2 -359,-0.6 -358,-0.1 0.006 100.2 81.9 -72.0 32.9 61.8 63.2 118.7 410 57 B E T 34 S+ 0 0 105 -2,-0.6 -1,-0.3 -360,-0.2 -359,-0.1 0.386 96.2 34.9-118.0 -8.1 65.0 63.1 120.8 411 58 B T T <4 S+ 0 0 107 -3,-1.9 -2,-0.2 -361,-0.1 -360,-0.0 0.353 92.8 124.7-120.0 -6.5 67.3 61.9 118.0 412 59 B E < + 0 0 24 -4,-0.6 2,-0.3 193,-0.1 -189,-0.1 -0.261 30.5 157.0 -66.4 142.3 65.5 63.8 115.3 413 60 B I - 0 0 73 -189,-0.0 193,-3.0 -2,-0.0 194,-0.3 -0.967 47.3-107.5-158.2 159.1 67.4 66.3 113.0 414 61 B Y 0 0 65 -2,-0.3 191,-0.2 191,-0.3 -2,-0.0 -0.888 360.0 360.0 -96.9 104.4 67.3 68.1 109.6 415 62 B P 0 0 68 0, 0.0 -398,-0.2 0, 0.0 -1,-0.1 0.819 360.0 360.0 -53.1 360.0 70.1 66.3 107.5 416 ! 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 0.0 417 66 B A > 0 0 60 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 123.9 68.9 61.8 101.4 418 67 B S H > + 0 0 95 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.947 360.0 61.4 -53.6 -49.8 70.4 59.6 98.7 419 68 B S H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.870 110.6 36.1 -41.0 -54.5 68.1 56.9 100.2 420 69 B L H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.863 116.7 51.2 -78.9 -38.2 64.9 58.8 99.4 421 70 B R H X S+ 0 0 58 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.934 116.3 43.1 -57.8 -45.7 66.0 60.3 96.1 422 71 B K H X S+ 0 0 109 -4,-3.2 4,-3.2 2,-0.2 5,-0.2 0.936 113.1 50.3 -70.6 -49.4 67.1 56.8 95.0 423 72 B E H X S+ 0 0 39 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.884 115.0 43.7 -55.5 -45.9 64.0 55.0 96.3 424 73 B V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.846 114.2 49.6 -71.8 -35.0 61.6 57.5 94.6 425 74 B A H <>S+ 0 0 1 -4,-2.1 5,-2.5 -5,-0.2 4,-0.3 0.920 111.5 49.4 -72.5 -42.1 63.6 57.5 91.3 426 75 B D H ><5S+ 0 0 95 -4,-3.2 3,-0.6 3,-0.2 -1,-0.2 0.842 107.8 55.5 -60.2 -34.5 63.6 53.7 91.3 427 76 B F H 3<5S+ 0 0 72 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.916 117.5 33.2 -68.4 -42.5 59.8 53.7 92.0 428 77 B Y T 3<5S- 0 0 12 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.221 108.8-119.2 -94.2 14.4 59.0 55.9 88.9 429 78 B Q T < 5S+ 0 0 157 -3,-0.6 2,-0.2 -4,-0.3 -3,-0.2 0.885 70.9 132.8 47.0 47.3 61.9 54.5 86.7 430 79 B L < - 0 0 15 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.668 63.3 -96.8-118.8 170.9 63.4 58.0 86.5 431 80 B E > - 0 0 70 -2,-0.2 3,-2.3 1,-0.1 4,-0.0 -0.724 27.7-128.4 -87.4 142.3 66.9 59.6 86.9 432 81 B E G > S+ 0 0 76 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.801 109.3 68.9 -58.3 -28.7 67.6 61.1 90.3 433 82 B E G 3 S+ 0 0 113 1,-0.3 -1,-0.3 3,-0.0 159,-0.1 0.656 91.7 60.8 -62.5 -17.5 68.6 64.2 88.4 434 83 B E G < S+ 0 0 2 -3,-2.3 153,-1.9 158,-0.1 2,-0.4 0.307 94.0 81.4 -94.4 9.7 64.9 64.6 87.5 435 84 B L E < -N 586 0G 1 -3,-1.7 2,-0.4 151,-0.2 151,-0.2 -0.918 49.2-176.7-120.4 140.1 63.7 65.0 91.2 436 85 B I E -N 585 0G 0 149,-1.9 149,-2.8 -2,-0.4 2,-0.3 -0.998 15.8-148.9-130.4 137.5 63.6 67.8 93.6 437 86 B F E +N 584 0G 24 -2,-0.4 2,-0.3 147,-0.2 147,-0.2 -0.804 18.9 172.6-109.4 149.3 62.5 67.4 97.2 438 87 B T E -N 583 0G 1 145,-2.6 145,-3.0 -2,-0.3 2,-1.8 -0.917 45.8 -95.6-154.3 159.5 60.8 70.0 99.2 439 88 B A S S- 0 0 25 -2,-0.3 4,-0.3 143,-0.2 143,-0.3 -0.567 99.1 -32.0 -91.5 78.3 59.1 70.4 102.6 440 89 B G S > S- 0 0 0 -2,-1.8 4,-0.9 141,-0.2 3,-0.4 0.063 76.1 -90.1 86.5 154.9 55.6 69.8 101.3 441 90 B V H > S+ 0 0 10 1,-0.2 4,-2.2 141,-0.2 5,-0.1 0.697 122.1 69.8 -71.4 -21.7 54.3 70.8 98.0 442 91 B D H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 98.8 51.2 -58.7 -41.3 53.2 74.2 99.3 443 92 B E H > S+ 0 0 29 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.875 107.4 51.7 -64.3 -40.0 57.0 75.0 99.5 444 93 B L H X S+ 0 0 0 -4,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.901 107.1 53.3 -62.3 -42.0 57.5 74.0 95.9 445 94 B I H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.929 109.7 49.2 -58.3 -47.2 54.7 76.3 94.9 446 95 B E H X S+ 0 0 9 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.890 111.6 48.6 -53.7 -48.0 56.5 79.1 96.7 447 96 B L H >X S+ 0 0 3 -4,-2.2 4,-1.6 1,-0.2 3,-0.5 0.941 107.0 55.2 -64.3 -49.2 59.8 78.3 95.0 448 97 B L H 3X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.857 110.1 47.1 -48.8 -41.6 58.3 78.2 91.6 449 98 B T H 3X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.764 108.5 53.9 -78.8 -25.3 56.9 81.7 92.0 450 99 B R H << S+ 0 0 6 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.749 111.9 44.0 -79.6 -23.5 60.1 83.2 93.3 451 100 B V H < S+ 0 0 0 -4,-1.6 -445,-2.2 -3,-0.2 -1,-0.2 0.674 129.8 19.5 -91.8 -18.2 62.2 82.0 90.4 452 101 B L H < S+ 0 0 1 -4,-0.8 2,-0.3 -5,-0.2 -2,-0.2 0.582 103.5 75.7-132.5 -19.4 59.7 82.9 87.6 453 102 B L < + 0 0 0 -4,-1.7 2,-0.3 -5,-0.2 -447,-0.1 -0.815 47.9 126.7-109.5 148.4 57.1 85.5 88.6 454 103 B D > - 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