==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION 30-OCT-99 1D9Z . COMPND 2 MOLECULE: EXCINUCLEASE UVRABC COMPONENT UVRB; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CALDOTENAX; . AUTHOR K.THEIS,P.J.CHEN,M.SKORVAGA,B.VAN HOUTEN,C.KISKER . 590 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 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 . 53 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 2 2 0 0 1 1 1 0 4 2 2 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 5 3 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 . 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 1 0 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 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 2 A E 0 0 134 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-146.0 53.8 40.4 33.2 2 3 A G + 0 0 29 1,-0.2 2,-0.5 132,-0.1 130,-0.0 0.606 360.0 127.1 140.2 43.4 54.2 42.5 36.4 3 4 A R - 0 0 180 131,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.939 43.7-144.6-131.0 115.7 51.0 44.1 37.6 4 5 A F - 0 0 17 -2,-0.5 2,-0.6 49,-0.2 79,-0.1 -0.571 11.6-166.8 -76.3 127.7 49.6 43.8 41.2 5 6 A Q - 0 0 94 -2,-0.3 2,-0.9 2,-0.0 77,-0.4 -0.918 4.4-162.4-119.5 101.2 45.8 43.8 41.4 6 7 A L - 0 0 51 -2,-0.6 74,-0.2 74,-0.1 73,-0.1 -0.729 7.1-169.6 -90.8 98.6 44.6 44.3 45.0 7 8 A V + 0 0 73 72,-2.1 -2,-0.0 -2,-0.9 0, 0.0 -0.336 17.3 152.7 -75.6 165.4 41.0 43.2 45.4 8 9 A A - 0 0 40 1,-0.1 71,-0.0 -2,-0.0 -2,-0.0 -0.596 41.8-144.5 166.9 133.6 39.1 44.1 48.7 9 10 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.947 86.2 45.6 -73.4 -51.7 35.6 44.7 50.1 10 11 A Y S S- 0 0 127 1,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.416 78.1-129.2 -70.4-150.2 36.4 47.4 52.6 11 12 A E - 0 0 146 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.944 45.1 -65.7-159.8 158.3 38.5 50.5 52.3 12 13 A P + 0 0 44 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.414 65.7 167.7 -56.9 109.2 41.3 52.0 54.4 13 14 A Q > + 0 0 105 -2,-0.5 3,-1.2 396,-0.1 397,-0.1 0.222 44.8 32.3 -97.2-136.2 39.6 52.9 57.6 14 15 A G T 3 S- 0 0 15 1,-0.2 396,-0.1 2,-0.1 29,-0.0 0.271 127.0 -46.4 17.4-135.8 41.2 53.9 60.9 15 16 A D T 3> S+ 0 0 33 394,-0.3 4,-1.7 1,-0.2 -1,-0.2 -0.018 100.5 125.0-109.3 30.7 44.5 55.7 60.4 16 17 A Q H <> + 0 0 14 -3,-1.2 4,-2.8 393,-0.2 -1,-0.2 0.922 66.3 54.8 -51.1 -52.7 45.6 53.1 57.8 17 18 A P H > S+ 0 0 64 0, 0.0 4,-0.8 0, 0.0 5,-0.4 0.937 104.7 50.6 -52.8 -50.1 46.2 55.7 55.1 18 19 A Q H > S+ 0 0 68 3,-0.1 4,-1.0 1,-0.1 -2,-0.2 0.922 117.5 44.7 -54.0 -44.0 48.6 57.8 57.1 19 20 A A H >X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 3,-1.5 0.999 112.5 46.9 -60.9 -76.7 50.4 54.5 57.8 20 21 A I H >X S+ 0 0 7 -4,-2.8 4,-1.5 1,-0.3 3,-1.3 0.872 116.0 43.1 -26.2 -87.6 50.4 52.9 54.4 21 22 A A H 3X S+ 0 0 56 -4,-0.8 4,-1.5 1,-0.3 -1,-0.3 0.663 108.8 59.7 -39.5 -31.0 51.6 56.0 52.5 22 23 A K H X S+ 0 0 4 -4,-1.5 3,-3.0 1,-0.2 4,-1.2 0.972 108.6 48.1 -40.1 -73.0 55.6 53.6 50.8 25 26 A D H 3X S+ 0 0 80 -4,-1.5 4,-3.3 1,-0.3 -1,-0.2 0.851 110.7 55.7 -35.2 -49.4 57.2 57.0 50.5 26 27 A G H 3<>S+ 0 0 1 -4,-1.9 5,-1.1 2,-0.2 -1,-0.3 0.678 104.7 49.9 -61.5 -26.0 59.9 55.6 52.8 27 28 A L H XX5S+ 0 0 6 -3,-3.0 3,-2.7 -4,-1.3 4,-0.8 0.961 113.2 47.2 -70.4 -66.1 60.7 52.7 50.5 28 29 A R H 3<5S+ 0 0 164 -4,-1.2 -2,-0.2 1,-0.3 -3,-0.2 0.850 102.3 61.1 -41.1 -51.0 61.0 55.0 47.6 29 30 A R T 3<5S- 0 0 168 -4,-3.3 -1,-0.3 -5,-0.3 -3,-0.1 0.458 123.6-109.7 -60.8 10.0 63.2 57.4 49.4 30 31 A G T <45 + 0 0 57 -3,-2.7 2,-0.4 1,-0.2 -3,-0.2 0.959 59.4 160.6 60.9 63.4 65.5 54.4 49.6 31 32 A V << - 0 0 35 -5,-1.1 -1,-0.2 -4,-0.8 3,-0.1 -0.896 31.6-152.2-115.1 144.9 65.4 53.4 53.3 32 33 A K S S+ 0 0 120 -2,-0.4 354,-2.0 1,-0.2 2,-0.4 0.985 74.7 31.5 -77.2 -69.5 66.4 50.0 54.7 33 34 A H E +a 386 0A 19 367,-0.3 2,-0.3 352,-0.2 -1,-0.2 -0.852 58.0 166.8-103.5 135.9 64.4 49.4 57.9 34 35 A Q E -a 387 0A 20 352,-0.7 354,-2.2 -2,-0.4 2,-0.5 -0.998 20.7-145.9-138.5 139.8 60.9 50.7 58.7 35 36 A T E -ab 388 404A 1 368,-0.5 370,-1.2 -2,-0.3 2,-0.7 -0.916 1.2-151.6-119.7 124.9 58.7 49.6 61.6 36 37 A L E -ab 389 405A 0 352,-3.1 354,-2.2 -2,-0.5 2,-1.0 -0.763 7.6-164.1 -90.0 114.6 54.9 49.3 61.6 37 38 A L E + b 0 406A 17 368,-1.7 370,-2.1 -2,-0.7 2,-0.5 -0.711 22.5 166.5 -99.4 88.7 53.5 49.8 65.1 38 39 A G E - b 0 407A 0 -2,-1.0 370,-0.2 368,-0.2 3,-0.1 -0.898 30.2-131.1-109.5 128.8 50.0 48.5 64.8 39 40 A A > - 0 0 0 368,-1.5 3,-1.4 -2,-0.5 4,-0.1 -0.245 44.1 -78.0 -68.1 169.4 47.6 47.7 67.7 40 41 A T T 3 S+ 0 0 32 1,-0.3 -1,-0.1 2,-0.1 370,-0.1 -0.153 113.8 9.2 -68.5 155.9 45.8 44.4 67.9 41 42 A G T 3 S+ 0 0 41 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.573 91.9 115.8 47.9 26.0 42.7 44.1 65.7 42 43 A T S < S- 0 0 1 -3,-1.4 367,-0.2 368,-0.2 -1,-0.1 0.337 89.3-101.8 -99.4 1.6 43.5 47.3 63.8 43 44 A G > + 0 0 33 -4,-0.1 4,-0.6 -5,-0.1 -4,-0.1 0.967 59.1 158.8 76.5 83.7 44.0 45.5 60.6 44 45 A K H > S+ 0 0 32 2,-0.2 4,-3.3 3,-0.1 5,-0.3 0.845 70.2 62.3 -97.4 -52.6 47.7 45.1 59.7 45 46 A T H > S+ 0 0 32 1,-0.2 4,-1.4 2,-0.2 -1,-0.0 0.811 112.3 41.0 -40.8 -41.0 47.5 42.2 57.3 46 47 A F H > S+ 0 0 12 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.955 109.5 54.0 -77.2 -52.7 45.5 44.5 55.0 47 48 A T H X S+ 0 0 0 -4,-0.6 4,-1.5 1,-0.2 3,-0.5 0.934 109.3 54.9 -46.0 -47.4 47.3 47.7 55.5 48 49 A I H X S+ 0 0 15 -4,-3.3 4,-2.4 1,-0.2 3,-0.3 0.937 100.4 54.4 -53.7 -50.0 50.4 45.7 54.4 49 50 A S H X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.3 -1,-0.2 0.832 105.1 58.0 -57.2 -31.6 49.0 44.4 51.2 50 51 A N H X S+ 0 0 18 -4,-1.7 4,-1.7 -3,-0.5 -1,-0.2 0.952 106.4 45.2 -63.0 -51.5 48.3 48.0 50.2 51 52 A V H >X S+ 0 0 4 -4,-1.5 4,-1.4 -3,-0.3 3,-0.6 0.957 110.1 57.3 -57.3 -49.3 51.9 49.0 50.5 52 53 A I H >X S+ 0 0 4 -4,-2.4 3,-1.0 1,-0.3 4,-0.7 0.895 109.0 44.6 -42.1 -58.4 52.9 45.9 48.7 53 54 A A H 3< S+ 0 0 16 -4,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.767 106.7 59.0 -65.9 -25.8 50.8 46.9 45.7 54 55 A Q H << S+ 0 0 97 -4,-1.7 -1,-0.3 -3,-0.6 -2,-0.2 0.790 114.1 38.1 -74.9 -23.6 51.9 50.5 45.7 55 56 A V H << S- 0 0 24 -4,-1.4 -1,-0.2 -3,-1.0 -2,-0.2 0.450 91.7-150.0-102.8 -4.4 55.5 49.3 45.2 56 57 A N < + 0 0 59 -4,-0.7 -3,-0.1 -3,-0.2 -4,-0.1 0.847 48.1 130.7 29.3 74.6 54.8 46.4 42.8 57 58 A K - 0 0 32 -5,-0.5 2,-0.2 78,-0.1 -1,-0.1 -0.895 60.7-102.5-141.5 165.3 57.8 44.3 44.0 58 59 A P - 0 0 1 0, 0.0 273,-2.1 0, 0.0 2,-0.3 -0.655 43.9-175.7 -97.8 148.1 58.0 40.6 45.0 59 60 A T E -cd 136 331A 1 76,-1.9 78,-1.9 -2,-0.2 2,-0.5 -0.985 29.1-139.1-147.4 160.7 58.2 39.7 48.6 60 61 A L E -cd 137 332A 0 271,-1.8 273,-1.8 -2,-0.3 2,-0.7 -0.980 17.4-155.3-119.8 125.6 58.6 37.0 51.2 61 62 A V E -cd 138 333A 4 76,-3.1 78,-2.2 -2,-0.5 2,-0.7 -0.917 12.1-156.5-103.8 107.4 56.4 37.3 54.3 62 63 A I E -cd 139 334A 1 271,-2.4 273,-1.5 -2,-0.7 2,-0.2 -0.786 11.6-175.7 -88.9 117.5 58.1 35.4 57.2 63 64 A A - 0 0 0 76,-2.9 78,-0.2 -2,-0.7 273,-0.1 -0.644 29.7-123.0-102.4 162.4 55.9 34.2 59.9 64 65 A H S S+ 0 0 34 -2,-0.2 2,-0.3 76,-0.2 76,-0.1 0.250 82.1 19.5 -95.8 17.4 57.2 32.5 63.1 65 66 A N S > S- 0 0 28 1,-0.2 4,-2.7 74,-0.1 5,-0.3 -0.923 81.2 -97.6-174.5 155.8 55.3 29.2 63.0 66 67 A K H > S+ 0 0 70 -2,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.857 116.9 47.0 -41.1 -64.1 53.4 26.8 60.8 67 68 A T H >> S+ 0 0 96 1,-0.2 3,-1.7 2,-0.2 4,-1.7 0.944 113.6 46.4 -48.4 -63.6 49.9 28.0 61.8 68 69 A L H 3> S+ 0 0 33 1,-0.3 4,-1.8 2,-0.2 5,-0.4 0.918 106.7 57.3 -47.1 -49.0 50.6 31.7 61.4 69 70 A A H 3X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -1,-0.3 0.822 109.8 52.3 -51.2 -32.9 52.3 31.1 58.1 70 71 A G H XX S+ 0 0 22 -3,-1.7 4,-1.2 -4,-1.4 3,-0.9 0.976 105.1 46.5 -66.4 -63.2 49.0 29.6 57.2 71 72 A Q H 3X S+ 0 0 131 -4,-1.7 4,-2.1 1,-0.3 5,-0.2 0.965 113.3 52.1 -46.1 -56.1 46.5 32.3 58.2 72 73 A L H 3X S+ 0 0 17 -4,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.791 106.0 59.0 -48.3 -38.3 48.6 34.8 56.4 73 74 A Y H X S+ 0 0 57 -4,-1.2 3,-2.1 1,-0.2 4,-1.9 0.909 116.7 57.6 -43.5 -57.8 44.8 32.3 52.6 75 76 A E H >X S+ 0 0 63 -4,-2.1 4,-1.6 1,-0.3 3,-0.5 0.922 107.9 45.2 -35.7 -65.1 44.3 35.9 53.8 76 77 A L H 3X S+ 0 0 3 -4,-2.1 4,-1.4 1,-0.3 -1,-0.3 0.654 108.3 62.0 -58.0 -20.9 46.8 37.2 51.2 77 78 A K H << S+ 0 0 81 -3,-2.1 -1,-0.3 -4,-1.2 3,-0.2 0.954 101.1 48.1 -68.2 -52.6 45.1 34.9 48.7 78 79 A E H << S+ 0 0 137 -4,-1.9 -2,-0.2 -3,-0.5 -1,-0.1 0.822 112.1 53.4 -57.5 -33.3 41.7 36.7 49.0 79 80 A F H < S+ 0 0 8 -4,-1.6 -72,-2.1 -5,-0.3 -1,-0.2 0.883 126.2 16.8 -67.9 -46.0 43.6 39.9 48.6 80 81 A F < + 0 0 2 -4,-1.4 3,-0.4 -3,-0.2 -1,-0.3 -0.804 63.1 152.9-132.7 92.1 45.3 38.9 45.3 81 82 A P S S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.330 77.0 59.2 -96.0 -2.1 43.8 35.9 43.6 82 83 A H S S+ 0 0 114 -77,-0.4 2,-0.2 -5,-0.1 -76,-0.1 0.088 103.5 58.9-110.3 13.5 45.1 37.1 40.2 83 84 A N S S- 0 0 23 -3,-0.4 2,-0.7 -6,-0.1 52,-0.1 -0.728 97.5 -72.2-131.8-176.4 48.8 37.1 41.2 84 85 A A E +e 135 0A 5 50,-2.4 52,-3.8 -2,-0.2 2,-0.5 -0.747 47.9 166.0 -90.3 112.1 51.4 34.7 42.5 85 86 A V E +e 136 0A 15 -2,-0.7 52,-0.2 50,-0.2 2,-0.2 -0.908 9.9 177.0-129.8 105.1 51.0 33.6 46.1 86 87 A E E -e 137 0A 33 50,-3.3 52,-2.2 -2,-0.5 2,-0.5 -0.689 26.0-137.1-111.2 164.3 53.0 30.6 47.3 87 88 A Y E -e 138 0A 34 -2,-0.2 2,-1.0 50,-0.2 52,-0.2 -0.712 18.3-172.2-122.8 83.1 53.5 28.7 50.7 88 89 A F E +e 139 0A 2 50,-1.4 52,-0.9 -2,-0.5 2,-0.2 -0.558 26.2 140.2 -82.0 107.7 57.1 27.8 51.5 89 90 A V - 0 0 3 -2,-1.0 2,-0.3 50,-0.2 -2,-0.0 -0.550 27.9-155.5-127.5-169.5 57.3 25.6 54.5 90 91 A S > - 0 0 12 -2,-0.2 3,-1.8 32,-0.0 2,-1.1 -0.992 37.6 -85.0-164.1 173.0 59.4 22.6 55.5 91 92 A Y T 3 S+ 0 0 63 -2,-0.3 3,-0.2 1,-0.3 4,-0.0 -0.045 105.9 83.8 -79.9 35.1 59.8 19.4 57.7 92 93 A Y T 3 S+ 0 0 69 -2,-1.1 2,-0.8 1,-0.1 -1,-0.3 0.550 78.2 70.0-100.9 -25.3 61.2 21.4 60.6 93 94 A D S < S- 0 0 21 -3,-1.8 -1,-0.1 -28,-0.0 -2,-0.1 -0.227 121.9 -1.7 -85.7 42.4 57.5 22.1 61.4 94 95 A Y S S+ 0 0 168 -2,-0.8 -2,-0.1 1,-0.3 -3,-0.1 -0.404 103.9 63.3 179.1 -94.0 57.2 18.4 62.5 95 96 A Y S S- 0 0 62 1,-0.1 -1,-0.3 18,-0.1 17,-0.1 0.470 77.0 -76.2 -54.5-171.0 59.7 15.6 62.4 96 97 A Q - 0 0 121 15,-0.9 2,-2.5 13,-0.1 15,-0.3 -0.823 27.2-134.3-104.6 125.2 63.1 14.7 64.0 97 98 A P - 0 0 79 0, 0.0 13,-0.1 0, 0.0 11,-0.1 -0.363 48.2-104.0 -73.0 70.8 66.4 16.3 63.1 98 99 A E + 0 0 14 -2,-2.5 2,-0.2 11,-0.1 12,-0.2 0.546 67.7 156.1 2.0 83.9 68.4 13.0 63.0 99 100 A A - 0 0 29 9,-0.2 9,-1.2 10,-0.2 2,-0.3 -0.475 34.9-126.0-114.6-171.4 70.2 13.6 66.3 100 101 A Y E -G 107 0B 19 254,-0.2 7,-0.2 7,-0.2 5,-0.1 -0.884 2.4-150.9-150.4 122.7 71.9 11.4 69.0 101 102 A V E > -G 106 0B 59 5,-1.7 5,-2.5 -2,-0.3 -2,-0.0 -0.749 16.6-169.7 -88.6 100.6 71.5 10.9 72.7 102 103 A P T > 5S+ 0 0 36 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.917 79.2 51.2 -55.9 -54.9 75.0 9.8 73.9 103 104 A Q T 3 5S+ 0 0 163 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.975 117.1 38.7 -52.2 -62.9 74.2 8.8 77.5 104 105 A T T 3 5S- 0 0 98 1,-0.1 -1,-0.3 2,-0.1 -3,-0.1 0.256 106.2-138.2 -69.7 10.9 71.2 6.6 76.5 105 106 A D T < 5 + 0 0 122 -3,-2.0 2,-0.4 1,-0.1 -1,-0.1 0.759 51.3 150.9 27.4 61.7 73.5 5.7 73.7 106 107 A T E < -G 101 0B 61 -5,-2.5 -5,-1.7 2,-0.0 2,-0.2 -0.976 36.7-149.8-131.4 112.6 70.4 5.9 71.5 107 108 A Y E -G 100 0B 73 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.615 4.9-162.7 -82.5 147.9 70.4 6.8 67.7 108 109 A I - 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0 0 84 0, 0.0 128,-0.2 0, 0.0 -1,-0.1 0.064 27.1-126.9 -47.8 154.4 46.6 45.0 96.7 424 427 A T S > S+ 0 0 38 126,-0.2 3,-1.6 125,-0.1 2,-0.4 0.742 85.6 95.8 -83.7 -22.0 47.2 41.3 97.0 425 428 A K T 3 S+ 0 0 191 1,-0.3 125,-0.1 125,-0.1 0, 0.0 -0.490 103.1 2.3 -69.2 119.6 45.4 41.2 100.3 426 429 A G T 3> S+ 0 0 53 -2,-0.4 4,-0.9 1,-0.0 -1,-0.3 0.733 90.8 142.6 75.1 22.5 41.8 40.1 99.9 427 430 A Q H <> + 0 0 30 -3,-1.6 4,-1.8 1,-0.2 -2,-0.1 0.790 63.8 48.9 -67.1 -28.7 42.6 39.7 96.2 428 431 A I H > S+ 0 0 36 -4,-0.2 4,-1.0 2,-0.2 5,-0.2 0.940 108.8 46.6 -81.6 -48.3 40.4 36.7 95.7 429 432 A D H > S+ 0 0 123 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.723 115.7 51.6 -65.9 -18.7 37.1 37.7 97.3 430 433 A D H X S+ 0 0 59 -4,-0.9 4,-2.3 2,-0.2 3,-0.4 0.952 106.9 49.6 -78.4 -53.7 37.5 40.9 95.4 431 434 A L H < S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.551 109.3 55.2 -63.1 -13.3 38.1 39.3 92.1 432 435 A I H >X S+ 0 0 11 -4,-1.0 4,-2.5 2,-0.1 3,-0.7 0.818 108.2 46.5 -83.3 -41.4 35.0 37.2 92.8 433 436 A G H >X S+ 0 0 39 -4,-1.0 4,-1.7 -3,-0.4 3,-0.6 0.999 111.7 49.8 -63.8 -51.4 32.8 40.2 93.3 434 437 A E H 3< S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.524 116.0 48.3 -65.5 -1.6 34.1 41.9 90.2 435 438 A I H X> S+ 0 0 4 -3,-0.7 3,-1.2 -5,-0.2 4,-0.6 0.744 101.8 55.9-105.1 -42.3 33.3 38.6 88.5 436 439 A R H XX S+ 0 0 121 -4,-2.5 3,-2.5 -3,-0.6 4,-1.5 0.981 103.9 59.3 -56.2 -49.5 29.8 37.8 89.7 437 440 A E H 3< S+ 0 0 113 -4,-1.7 -1,-0.3 1,-0.3 4,-0.1 0.596 100.8 54.6 -54.4 -17.5 28.8 41.2 88.3 438 441 A R H <4>S+ 0 0 32 -3,-1.2 5,-4.7 2,-0.2 -1,-0.3 0.589 104.1 53.1 -91.0 -21.2 29.9 40.2 84.8 439 442 A V H X<5S+ 0 0 62 -3,-2.5 3,-1.3 -4,-0.6 -2,-0.2 0.779 104.9 56.7 -79.1 -32.5 27.8 37.1 84.7 440 443 A E T 3<5S+ 0 0 138 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.606 111.4 42.8 -74.1 -15.9 24.9 39.4 85.6 441 444 A R T 3 5S- 0 0 155 2,-0.1 -1,-0.3 -4,-0.1 -2,-0.2 -0.023 119.4-109.9-114.5 19.6 25.6 41.4 82.5 442 445 A N T < 5S+ 0 0 119 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.860 72.9 136.8 53.4 46.5 26.2 38.4 80.3 443 446 A E < - 0 0 39 -5,-4.7 2,-0.2 68,-0.0 68,-0.2 -0.927 45.1-132.7-127.5 145.9 30.0 38.9 80.0 444 447 A R E -l 511 0E 12 66,-3.2 68,-1.8 -2,-0.4 69,-1.2 -0.631 14.3-150.3 -94.5 158.3 33.0 36.6 80.3 445 448 A T E -l 513 0E 2 49,-3.2 2,-0.3 -2,-0.2 69,-0.2 -0.651 3.6-155.5-121.7 168.8 36.3 36.9 82.1 446 449 A L E -l 514 0E 1 67,-0.9 69,-3.1 -2,-0.2 2,-0.3 -0.978 12.0-167.8-146.9 126.1 39.9 35.7 81.8 447 450 A V E -lm 515 497E 0 49,-3.0 51,-1.1 -2,-0.3 2,-0.4 -0.839 2.3-165.5-120.4 158.6 42.5 35.1 84.5 448 451 A T E +lm 516 498E 5 67,-0.8 69,-2.3 -2,-0.3 70,-0.2 -0.997 9.0 170.6-145.4 139.1 46.2 34.6 84.6 449 452 A T - 0 0 1 49,-1.2 3,-0.1 -2,-0.4 69,-0.1 -0.477 33.4-126.1-126.3-161.8 48.7 33.4 87.2 450 453 A L S S+ 0 0 63 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.661 86.3 53.5-120.2 -39.7 52.3 32.4 87.3 451 454 A T S >> S- 0 0 74 1,-0.1 3,-2.2 48,-0.0 4,-1.9 -0.837 70.3-137.1-105.3 142.2 52.3 28.9 88.9 452 455 A K H 3> S+ 0 0 88 -2,-0.4 4,-0.9 1,-0.3 -1,-0.1 0.567 110.4 55.3 -71.0 -7.1 50.3 25.9 87.8 453 456 A K H 3> S+ 0 0 153 2,-0.2 4,-0.6 3,-0.1 -1,-0.3 0.342 104.1 52.9-103.6 -0.5 49.6 25.3 91.4 454 457 A M H <4 S+ 0 0 46 -3,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.737 109.4 47.7 -99.1 -36.9 48.2 28.8 91.8 455 458 A A H >X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 3,-1.5 0.960 114.7 46.7 -64.8 -49.2 45.8 28.4 88.9 456 459 A E H 3X S+ 0 0 71 -4,-0.9 4,-1.3 1,-0.3 5,-0.3 0.957 107.1 57.2 -56.6 -48.2 44.8 25.0 90.4 457 460 A D H 3< S+ 0 0 107 -4,-0.6 4,-0.4 1,-0.2 -1,-0.3 0.644 115.5 39.9 -56.3 -18.5 44.4 26.7 93.8 458 461 A L H <> S+ 0 0 4 -3,-1.5 4,-2.7 -4,-0.5 5,-0.2 0.878 99.6 64.1 -97.2 -63.4 42.0 29.0 92.1 459 462 A T H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.786 112.7 40.8 -26.3 -55.4 39.8 27.1 89.6 460 463 A D H X S+ 0 0 93 -4,-1.3 4,-3.3 2,-0.2 -1,-0.2 0.971 110.5 55.5 -65.8 -49.1 38.4 25.2 92.6 461 464 A Y H 4 S+ 0 0 116 -4,-0.4 -2,-0.2 -5,-0.3 -1,-0.2 0.864 112.2 47.7 -49.9 -39.7 38.1 28.2 94.8 462 465 A L H >< S+ 0 0 1 -4,-2.7 3,-2.5 2,-0.2 4,-0.4 0.950 110.0 46.8 -67.8 -55.2 36.1 29.7 92.0 463 466 A K H >< S+ 0 0 119 -4,-2.5 3,-2.1 1,-0.3 4,-0.3 0.913 108.3 59.1 -55.3 -38.2 33.7 26.8 91.4 464 467 A E T 3< S+ 0 0 158 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.475 100.8 57.6 -68.8 -1.6 33.3 26.7 95.1 465 468 A A T < S- 0 0 22 -3,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.480 125.8 -99.3-104.7 -8.2 32.0 30.3 94.8 466 469 A G S < S+ 0 0 65 -3,-2.1 2,-0.3 -4,-0.4 -3,-0.2 0.932 77.3 129.3 87.7 57.6 29.2 29.3 92.4 467 470 A I - 0 0 21 -4,-0.3 2,-0.6 -5,-0.2 -1,-0.3 -0.987 65.4-113.4-146.1 137.5 30.7 30.1 89.0 468 471 A K - 0 0 106 -2,-0.3 26,-2.2 23,-0.1 27,-1.7 -0.600 51.7-169.4 -67.8 111.8 31.1 28.3 85.7 469 472 A V - 0 0 9 -2,-0.6 27,-0.1 24,-0.2 -1,-0.0 -0.817 15.9-134.6-116.1 157.0 34.9 28.0 85.6 470 473 A A - 0 0 11 -2,-0.3 -1,-0.2 1,-0.1 26,-0.1 0.452 38.1 -61.3 -80.7-145.6 37.5 27.0 83.0 471 474 A Y - 0 0 54 26,-0.3 26,-0.4 1,-0.1 -12,-0.2 0.040 14.7-157.0 -93.2-163.9 40.6 24.8 83.2 472 475 A L + 0 0 27 1,-0.1 2,-0.6 24,-0.1 -16,-0.2 0.286 65.2 95.4-152.5 -14.2 44.0 24.5 84.9 473 476 A H - 0 0 69 1,-0.1 3,-0.4 -18,-0.1 -1,-0.1 -0.755 58.2-153.1 -95.7 118.2 46.1 22.4 82.5 474 477 A S S S+ 0 0 33 -2,-0.6 2,-1.6 1,-0.2 -1,-0.1 0.929 85.1 37.0 -47.9 -79.9 48.3 24.2 80.0 475 478 A E + 0 0 124 1,-0.1 2,-0.9 6,-0.0 -1,-0.2 -0.569 63.6 161.3 -83.6 78.1 48.7 21.8 77.0 476 479 A I - 0 0 18 -2,-1.6 5,-0.4 -3,-0.4 2,-0.3 -0.316 64.8 -93.2 -93.5 54.6 45.2 20.3 76.8 477 480 A K - 0 0 139 -2,-0.9 -1,-0.2 1,-0.2 0, 0.0 -0.573 38.0-102.5 74.0-136.6 45.9 19.2 73.2 478 481 A T S > S+ 0 0 98 -2,-0.3 4,-1.9 -3,-0.1 -1,-0.2 0.185 111.9 61.5-158.2 -24.1 44.7 21.7 70.6 479 482 A L H > S+ 0 0 127 2,-0.2 4,-1.3 3,-0.1 -2,-0.1 0.961 113.1 32.9 -77.7 -56.7 41.5 19.9 69.5 480 483 A E H > S+ 0 0 90 -4,-0.3 4,-2.0 2,-0.2 5,-0.2 0.789 116.5 64.1 -70.7 -25.6 39.6 20.0 72.8 481 484 A R H > S+ 0 0 58 -5,-0.4 4,-1.4 2,-0.2 3,-0.5 0.974 104.7 40.3 -60.9 -54.5 41.4 23.3 73.3 482 485 A I H X S+ 0 0 76 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.837 112.3 63.3 -63.8 -29.2 39.7 25.0 70.4 483 486 A E H X S+ 0 0 84 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.874 104.0 42.3 -64.3 -40.4 36.6 23.1 71.7 484 487 A I H X S+ 0 0 24 -4,-2.0 4,-1.4 -3,-0.5 -1,-0.2 0.716 105.7 61.4 -85.5 -16.6 36.5 24.9 75.1 485 488 A I H >X S+ 0 0 22 -4,-1.4 4,-1.9 2,-0.2 3,-0.8 0.970 109.3 45.2 -63.4 -49.0 37.2 28.4 73.6 486 489 A R H 3< S+ 0 0 24 -4,-1.7 -2,-0.2 1,-0.3 6,-0.2 0.909 107.8 58.7 -56.8 -43.8 34.0 27.8 71.7 487 490 A D H 3<>S+ 0 0 17 -4,-1.5 5,-1.4 1,-0.2 6,-0.7 0.828 106.6 49.0 -57.0 -34.1 32.5 26.5 75.0 488 491 A L H X<5S+ 0 0 1 -4,-1.4 2,-2.8 -3,-0.8 3,-1.6 0.971 101.0 57.4 -75.8 -53.6 33.3 29.9 76.6 489 492 A R T 3<5S+ 0 0 24 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.1 -0.195 108.0 53.7 -74.0 53.6 31.9 32.3 74.1 490 493 A L T 3 5S- 0 0 110 -2,-2.8 -1,-0.2 -3,-0.5 -2,-0.2 0.382 120.3 -90.2-157.0 -20.1 28.5 30.6 74.4 491 494 A G T < 5S+ 0 0 24 -3,-1.6 -3,-0.1 2,-0.4 -2,-0.1 0.325 92.9 114.1 116.0 -5.3 27.5 30.6 78.1 492 495 A K S S- 0 0 63 -3,-0.4 3,-0.7 1,-0.1 -1,-0.0 -0.668 76.7-109.5 -75.1 98.4 48.2 31.4 73.3 504 507 A E T 3 S+ 0 0 102 -2,-1.1 -1,-0.1 1,-0.2 -2,-0.0 0.359 98.7 56.8 -26.0 151.5 46.4 32.2 70.1 505 508 A G T 3 S+ 0 0 46 -3,-0.1 2,-0.9 -20,-0.0 -1,-0.2 0.015 77.4 104.2 106.8 -27.8 42.7 31.6 69.7 506 509 A L < + 0 0 15 -3,-0.7 2,-0.6 -5,-0.2 -2,-0.1 -0.171 36.7 115.2 -83.2 48.8 42.0 33.8 72.7 507 510 A D + 0 0 50 -2,-0.9 -1,-0.1 31,-0.0 30,-0.1 -0.638 45.8 161.2-111.4 64.1 40.8 36.8 70.7 508 511 A I - 0 0 5 -2,-0.6 3,-0.5 29,-0.2 32,-0.3 -0.801 34.3-160.9 -96.7 134.7 37.2 36.6 72.2 509 512 A P S S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -65,-0.1 0.817 84.2 68.0 -82.8 -27.9 34.7 39.4 72.1 510 513 A E S S+ 0 0 43 -67,-0.1 -66,-3.2 31,-0.1 2,-0.6 0.522 82.6 100.2 -70.8 -1.8 32.3 38.3 74.8 511 514 A V E +l 444 0E 0 -3,-0.5 29,-0.3 -68,-0.2 -66,-0.2 -0.829 37.8 162.8 -97.7 122.0 35.1 39.0 77.3 512 515 A S E + 0 0 0 -68,-1.8 33,-2.2 -2,-0.6 2,-0.4 0.571 59.3 48.3-108.2 -22.6 35.0 42.2 79.2 513 516 A L E -ln 445 545E 0 -69,-1.2 -67,-0.9 31,-0.2 2,-0.4 -0.975 55.7-168.8-130.0 142.6 37.4 41.7 82.1 514 517 A V E -ln 446 546E 1 31,-1.6 33,-1.5 -2,-0.4 2,-0.4 -0.969 8.5-155.5-134.2 123.0 40.9 40.4 82.4 515 518 A A E -ln 447 547E 0 -69,-3.1 -67,-0.8 -2,-0.4 2,-0.5 -0.768 8.3-170.7-102.6 135.8 42.8 39.5 85.6 516 519 A I E > -ln 448 548E 2 31,-2.0 33,-1.7 -2,-0.4 3,-0.8 -0.867 7.1-172.9-121.8 98.0 46.6 39.5 86.1 517 520 A L T 3 S+ 0 0 1 -69,-2.3 -68,-0.2 -2,-0.5 3,-0.1 0.617 76.7 30.5 -73.2 -18.0 47.3 37.9 89.5 518 521 A D T > + 0 0 34 -70,-0.2 3,-2.2 1,-0.1 -1,-0.2 -0.238 68.4 153.6-133.2 49.3 51.1 38.4 89.9 519 522 A A T < S+ 0 0 0 30,-1.0 31,-0.2 -3,-0.8 38,-0.1 0.791 72.8 46.8 -44.7 -42.9 51.7 41.6 88.0 520 523 A D T 3 S+ 0 0 19 29,-0.4 -1,-0.3 -3,-0.1 30,-0.1 0.441 94.3 100.9 -87.1 1.6 54.8 42.6 90.0 521 524 A K S < S- 0 0 93 -3,-2.2 2,-0.4 1,-0.1 -3,-0.0 0.022 78.5 -91.0 -76.9-177.2 56.5 39.3 89.9 522 525 A E + 0 0 166 3,-0.0 2,-0.3 5,-0.0 3,-0.1 -0.841 66.6 101.1-101.3 137.8 59.4 38.0 87.7 523 526 A G S > S- 0 0 42 -2,-0.4 3,-0.6 1,-0.1 -73,-0.0 -0.918 73.5-105.9 166.6 165.6 58.8 36.3 84.4 524 527 A F G > S+ 0 0 152 -2,-0.3 3,-1.1 1,-0.2 6,-0.3 0.834 120.1 59.1 -79.0 -34.7 58.7 36.5 80.7 525 528 A L G 3 S+ 0 0 30 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.161 104.4 52.7 -80.0 18.3 54.9 36.5 81.0 526 529 A R G < S+ 0 0 8 -3,-0.6 -1,-0.3 -6,-0.1 2,-0.2 -0.038 85.8 119.2-139.7 32.9 55.1 39.6 83.1 527 530 A S S <> S- 0 0 33 -3,-1.1 4,-3.5 29,-0.1 5,-0.4 -0.627 79.1 -98.8-104.2 163.4 57.2 41.9 80.9 528 531 A E H > S+ 0 0 72 1,-0.2 4,-1.4 -2,-0.2 5,-0.2 0.848 126.2 35.8 -41.8 -52.5 56.7 45.3 79.3 529 532 A R H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.926 116.7 50.8 -72.3 -45.9 55.9 43.5 76.1 530 533 A S H > S+ 0 0 5 -6,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.857 110.3 50.6 -64.6 -36.0 54.1 40.5 77.4 531 534 A L H X S+ 0 0 0 -4,-3.5 4,-2.3 2,-0.2 3,-0.2 0.975 106.1 52.4 -66.8 -55.7 51.7 42.5 79.6 532 535 A I H X S+ 0 0 22 -4,-1.4 4,-2.2 -5,-0.4 3,-0.4 0.939 110.8 51.1 -41.8 -51.2 50.6 44.9 76.9 533 536 A Q H < S+ 0 0 41 -4,-1.8 4,-0.5 1,-0.3 -1,-0.2 0.921 107.5 50.4 -58.2 -43.5 49.8 41.9 74.8 534 537 A T H >< S+ 0 0 11 -4,-1.8 3,-0.6 1,-0.2 -1,-0.3 0.786 107.3 58.5 -65.3 -27.5 47.7 40.3 77.6 535 538 A I H >< S+ 0 0 4 -4,-2.3 3,-3.0 -3,-0.4 -2,-0.2 0.973 92.6 63.6 -68.1 -48.2 45.9 43.6 77.8 536 539 A G G >< S+ 0 0 7 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.679 84.7 76.8 -49.3 -14.7 44.7 43.6 74.2 537 540 A R G < S+ 0 0 32 -3,-0.6 -1,-0.3 -4,-0.5 3,-0.2 0.568 93.4 54.4 -74.6 -5.1 42.7 40.5 75.1 538 541 A A G < S+ 0 0 0 -3,-3.0 -1,-0.3 1,-0.1 3,-0.2 0.088 89.5 75.9-113.4 21.5 40.4 43.0 76.7 539 542 A A < + 0 0 3 -3,-1.7 -1,-0.1 1,-0.1 -2,-0.1 0.110 66.9 85.9-119.4 21.7 39.8 45.3 73.7 540 543 A R S S+ 0 0 37 -29,-0.3 45,-0.4 -32,-0.3 2,-0.3 0.312 91.6 59.7 -97.3 8.5 37.4 43.1 71.8 541 544 A N S > S- 0 0 7 -3,-0.2 3,-0.6 -126,-0.2 -126,-0.4 -0.890 81.8-124.4-137.7 162.6 34.7 44.7 73.9 542 545 A A T 3 S+ 0 0 39 -2,-0.3 -30,-0.1 1,-0.2 -3,-0.0 0.530 111.0 42.5 -85.5 -15.9 33.2 48.1 74.6 543 546 A N T 3 S+ 0 0 95 -32,-0.1 2,-0.4 2,-0.1 -1,-0.2 -0.225 78.9 164.2-123.3 42.7 33.7 47.7 78.4 544 547 A G < + 0 0 8 -3,-0.6 -126,-1.1 -129,-0.2 2,-0.3 -0.480 8.3 171.1 -65.9 125.7 37.1 46.3 78.5 545 548 A H E -kn 418 513E 27 -33,-2.2 -31,-1.6 -2,-0.4 2,-0.4 -0.952 18.6-157.8-134.2 149.9 38.7 46.5 81.9 546 549 A V E -kn 419 514E 0 -128,-1.8 -126,-3.0 -2,-0.3 2,-0.5 -0.991 1.0-163.7-130.4 127.5 41.9 45.1 83.4 547 550 A I E -kn 420 515E 0 -33,-1.5 -31,-2.0 -2,-0.4 2,-0.6 -0.923 4.8-164.2-106.8 125.9 42.7 44.6 87.0 548 551 A M E -kn 421 516E 0 -128,-2.6 -126,-1.8 -2,-0.5 2,-0.6 -0.957 7.8-153.6-109.5 114.9 46.3 44.0 88.0 549 552 A Y E +k 422 0E 1 -33,-1.7 -30,-1.0 -2,-0.6 -29,-0.4 -0.822 38.7 127.6 -89.4 119.4 46.7 42.6 91.6 550 553 A A - 0 0 6 -128,-2.0 -126,-0.2 -2,-0.6 -125,-0.1 -0.931 58.5-133.5-158.8 178.7 50.1 43.6 93.0 551 554 A D S S+ 0 0 110 -2,-0.3 2,-0.3 -128,-0.2 -1,-0.1 0.413 90.2 18.2-116.6 -20.1 52.2 45.0 95.9 552 555 A T S S- 0 0 88 2,-0.0 2,-0.7 -129,-0.0 -1,-0.2 -0.937 76.9-109.5-148.1 170.0 54.5 47.3 93.9 553 556 A I - 0 0 94 -2,-0.3 5,-0.1 -3,-0.1 -33,-0.1 -0.755 33.0-153.5-116.0 92.7 54.7 48.9 90.5 554 557 A T > - 0 0 31 -2,-0.7 4,-2.7 1,-0.1 5,-0.1 -0.110 27.4-115.0 -58.0 158.8 57.4 47.3 88.4 555 558 A K H > S+ 0 0 174 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.804 120.3 54.1 -63.7 -30.6 59.1 49.4 85.6 556 559 A S H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.971 106.5 49.1 -67.8 -53.4 57.5 46.9 83.2 557 560 A M H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.929 110.1 54.0 -50.1 -52.1 54.1 47.5 84.6 558 561 A E H X S+ 0 0 91 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.954 106.7 48.6 -44.7 -63.3 54.6 51.2 84.3 559 562 A I H X S+ 0 0 63 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.874 112.7 49.0 -46.9 -52.6 55.5 51.1 80.7 560 563 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 3,-0.3 0.994 114.6 42.9 -54.0 -66.0 52.5 49.0 79.8 561 564 A I H X S+ 0 0 35 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.875 112.2 54.3 -47.5 -50.0 50.0 51.1 81.7 562 565 A Q H X S+ 0 0 101 -4,-3.1 4,-1.8 -5,-0.2 -1,-0.2 0.924 113.1 42.7 -50.7 -52.5 51.5 54.4 80.4 563 566 A E H X S+ 0 0 47 -4,-2.2 4,-3.0 -3,-0.3 5,-0.3 0.974 110.0 53.8 -62.1 -53.8 51.2 53.3 76.8 564 567 A T H X S+ 0 0 7 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.907 110.4 51.8 -47.1 -48.7 47.7 51.8 77.0 565 568 A K H >X S+ 0 0 142 -4,-2.4 4,-2.1 2,-0.2 3,-1.3 0.975 111.4 42.0 -49.5 -74.5 46.6 55.1 78.5 566 569 A R H 3X S+ 0 0 86 -4,-1.8 4,-2.0 1,-0.3 -1,-0.2 0.793 114.0 55.0 -41.0 -46.3 48.0 57.4 75.7 567 570 A R H 3X S+ 0 0 9 -4,-3.0 4,-1.4 -5,-0.2 -1,-0.3 0.920 109.4 46.4 -55.3 -48.7 46.8 54.9 73.2 568 571 A R H X S+ 0 0 55 -4,-2.1 4,-2.4 1,-0.2 3,-0.8 0.972 108.0 46.7 -52.5 -55.7 43.2 58.9 74.7 570 573 A I H 3X S+ 0 0 48 -4,-2.0 4,-0.8 1,-0.3 -1,-0.2 0.829 108.1 54.1 -62.7 -29.9 43.9 59.2 71.1 571 574 A Q H 3X S+ 0 0 3 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.3 0.844 112.4 47.5 -69.0 -32.0 41.4 56.7 70.0 572 575 A E H S+ 0 0 16 -4,-1.7 5,-1.6 2,-0.2 4,-0.4 0.687 110.3 57.9 -65.7 -11.3 35.7 59.0 67.9 576 579 A R H ><5S+ 0 0 198 -4,-1.2 3,-2.2 2,-0.2 -2,-0.2 0.963 102.7 45.1 -75.9 -70.2 34.9 62.6 68.8 577 580 A K H 3<5S+ 0 0 162 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.1 0.653 124.1 39.9 -47.9 -23.1 35.9 64.5 65.6 578 581 A H T 3<5S- 0 0 82 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.500 103.3-121.8-112.4 -6.0 34.1 61.7 63.7 579 582 A G T < 5 + 0 0 67 -3,-2.2 2,-0.4 -4,-0.4 -3,-0.2 0.878 54.4 152.3 66.2 42.8 31.0 60.9 65.6 580 583 A I < - 0 0 60 -5,-1.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.872 33.5-154.4-110.3 138.8 31.6 57.2 66.2 581 584 A V - 0 0 118 -2,-0.4 2,-0.1 -169,-0.0 -167,-0.1 -0.943 30.2-115.2-110.0 114.2 30.2 55.3 69.2 582 585 A P - 0 0 43 0, 0.0 2,-0.4 0, 0.0 -169,-0.1 -0.262 38.4-177.3 -55.3 124.2 32.3 52.2 70.0 583 586 A R - 0 0 183 -171,-0.8 -169,-0.1 -2,-0.1 2,-0.1 -0.981 29.2-103.7-127.8 138.7 30.4 49.0 69.5 584 587 A T - 0 0 47 -2,-0.4 -43,-0.1 1,-0.1 -44,-0.1 -0.325 36.2-113.7 -63.1 134.3 31.6 45.4 70.2 585 588 A V - 0 0 47 -45,-0.4 2,-0.3 -2,-0.1 -1,-0.1 -0.193 27.8-145.4 -61.6 153.4 32.7 43.2 67.3 586 589 A K + 0 0 177 -77,-0.0 2,-0.3 -76,-0.0 -1,-0.1 -0.899 17.7 179.1-123.2 150.6 30.5 40.2 66.5 587 590 A K - 0 0 94 -2,-0.3 2,-0.1 0, 0.0 -79,-0.0 -0.957 29.8-107.8-144.3 152.3 31.7 36.8 65.3 588 591 A E - 0 0 132 -2,-0.3 2,-0.6 1,-0.0 0, 0.0 -0.434 22.0-131.4 -82.6 159.6 29.9 33.6 64.4 589 592 A I + 0 0 64 -2,-0.1 -1,-0.0 1,-0.1 -103,-0.0 -0.792 35.3 176.0-114.9 87.6 30.1 30.5 66.6 590 593 A R - 0 0 144 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.576 28.8 -88.8 -67.1-147.9 30.8 27.5 64.3 591 594 A D 0 0 155 1,-0.0 -1,-0.1 0, 0.0 -108,-0.0 -0.997 360.0 360.0-137.3 144.0 31.5 23.8 65.1 592 595 A V 0 0 108 -2,-0.3 -109,-0.1 -109,-0.1 -110,-0.1 0.426 360.0 360.0 -87.6 360.0 34.7 21.8 65.8