==== 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 OXIDOREDUCTASE 21-JAN-05 1WXD . COMPND 2 MOLECULE: SHIKIMATE 5-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR B.BAGAUTDINOV,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMI . 526 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0.2 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 . 25 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.9 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 0 0 2 0 2 0 1 6 4 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 8 0 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 M 0 0 130 0, 0.0 509,-0.1 0, 0.0 508,-0.1 0.000 360.0 360.0 360.0 131.7 17.8 23.5 39.0 2 2 A L + 0 0 4 507,-0.7 30,-1.7 1,-0.2 2,-0.5 0.982 360.0 161.0 57.0 74.3 19.1 23.1 35.5 3 3 A R E +a 32 0A 99 28,-0.2 52,-1.5 50,-0.1 53,-1.0 -0.990 11.7 169.2-123.9 121.0 21.9 20.6 35.6 4 4 A F E +ab 33 56A 0 28,-3.2 30,-1.6 -2,-0.5 2,-0.3 -0.664 9.2 179.7-121.5-180.0 22.7 19.0 32.3 5 5 A A E -ab 34 57A 0 51,-0.6 53,-2.1 28,-0.3 2,-0.6 -0.946 30.3-116.9-175.6 156.3 25.4 16.9 30.8 6 6 A V E -ab 35 58A 0 28,-1.3 30,-2.3 -2,-0.3 2,-0.6 -0.936 29.4-152.9-106.3 117.8 26.6 15.2 27.6 7 7 A L E +ab 36 59A 0 51,-3.2 53,-2.4 -2,-0.6 2,-0.3 -0.826 38.1 120.9 -95.1 122.3 26.7 11.4 28.1 8 8 A G E -a 37 0A 0 28,-1.0 30,-3.1 -2,-0.6 3,-0.3 -0.988 60.3-101.7-168.9 169.2 29.2 9.6 25.9 9 9 A H S S+ 0 0 87 52,-2.9 31,-0.1 1,-0.5 2,-0.1 -0.810 114.2 14.5-144.0 95.7 32.2 7.3 25.6 10 10 A P S S+ 0 0 102 0, 0.0 -1,-0.5 0, 0.0 51,-0.1 0.554 74.6 142.8 -91.4 171.1 34.4 9.3 25.1 11 11 A V > + 0 0 10 -3,-0.3 3,-2.7 -2,-0.1 -2,-0.1 0.209 31.2 124.9-143.8 4.1 33.3 12.8 25.8 12 12 A A T 3 S+ 0 0 75 1,-0.3 23,-0.1 -4,-0.0 25,-0.0 0.742 85.8 28.7 -40.3 -38.5 36.5 14.1 27.2 13 13 A H T 3 S+ 0 0 133 3,-0.0 -1,-0.3 248,-0.0 -2,-0.0 0.023 83.1 151.1-118.5 29.7 36.7 17.0 24.7 14 14 A S < - 0 0 30 -3,-2.7 4,-0.3 1,-0.1 21,-0.1 -0.269 39.5-149.5 -59.0 143.7 33.0 17.6 24.0 15 15 A L S > S+ 0 0 3 1,-0.1 4,-2.3 2,-0.1 5,-0.2 0.511 80.3 89.6 -93.4 -4.0 32.3 21.2 23.0 16 16 A S H > S+ 0 0 6 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.951 79.6 55.9 -56.5 -54.4 28.8 21.0 24.5 17 17 A P H > S+ 0 0 32 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.890 111.1 47.2 -47.2 -41.4 29.8 22.1 28.0 18 18 A A H > S+ 0 0 34 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.948 113.5 45.6 -66.0 -50.1 31.3 25.2 26.5 19 19 A M H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.934 117.0 44.0 -59.2 -49.2 28.2 26.0 24.3 20 20 A H H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.817 105.7 60.0 -68.8 -31.9 25.7 25.4 27.0 21 21 A A H X S+ 0 0 55 -4,-1.9 4,-2.1 -5,-0.4 -1,-0.2 0.930 110.7 45.1 -60.0 -40.4 27.7 27.3 29.6 22 22 A F H X S+ 0 0 49 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.843 109.3 55.4 -69.1 -36.2 27.2 30.2 27.2 23 23 A A H X S+ 0 0 0 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.973 111.0 43.3 -60.3 -56.5 23.5 29.4 26.7 24 24 A L H <>S+ 0 0 6 -4,-2.8 5,-3.0 1,-0.2 3,-0.4 0.934 118.3 45.0 -54.0 -51.9 22.8 29.6 30.4 25 25 A E H ><5S+ 0 0 138 -4,-2.1 3,-2.1 -5,-0.3 -2,-0.2 0.931 110.3 52.3 -60.8 -49.5 24.8 32.7 30.9 26 26 A S H 3<5S+ 0 0 51 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.746 113.9 46.4 -59.9 -23.1 23.5 34.5 27.8 27 27 A L T 3<5S- 0 0 54 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.310 114.9-116.7-100.8 5.5 20.0 33.8 29.2 28 28 A G T < 5 + 0 0 63 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.915 67.4 142.4 59.9 43.4 20.8 34.9 32.7 29 29 A L < - 0 0 13 -5,-3.0 2,-0.4 -6,-0.1 -1,-0.2 -0.901 48.6-132.5-118.2 146.7 20.2 31.4 34.1 30 30 A E + 0 0 162 -2,-0.4 2,-0.3 -3,-0.1 -5,-0.0 -0.791 56.3 90.5 -96.0 138.3 22.0 29.5 36.8 31 31 A G - 0 0 38 -2,-0.4 2,-0.3 -10,-0.0 -28,-0.2 -0.981 54.6-111.9 165.7-172.1 23.1 26.0 36.1 32 32 A S E -a 3 0A 54 -30,-1.7 -28,-3.2 -2,-0.3 2,-0.3 -0.982 7.2-163.9-151.6 160.0 25.7 23.6 34.7 33 33 A Y E +a 4 0A 15 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.3 -0.887 22.1 176.5-148.8 109.6 26.5 21.2 31.9 34 34 A E E -a 5 0A 99 -30,-1.6 -28,-1.3 -2,-0.3 2,-0.4 -0.876 34.1-112.1-122.1 152.2 29.3 18.8 32.3 35 35 A A E -a 6 0A 43 -2,-0.3 2,-0.5 -30,-0.2 -28,-0.2 -0.669 31.8-167.7 -79.2 128.3 30.7 16.0 30.2 36 36 A W E -a 7 0A 68 -30,-2.3 -28,-1.0 -2,-0.4 -1,-0.0 -0.866 19.3-132.7-124.3 98.1 30.1 12.6 31.9 37 37 A D E +a 8 0A 73 -2,-0.5 -28,-0.2 -30,-0.2 -30,-0.1 -0.195 33.1 176.4 -47.9 127.6 32.0 9.7 30.4 38 38 A T - 0 0 0 -30,-3.1 5,-0.1 8,-0.0 -1,-0.1 -0.814 17.8-154.2-146.4 101.8 29.5 6.8 30.0 39 39 A P > - 0 0 45 0, 0.0 3,-0.8 0, 0.0 4,-0.3 -0.275 36.9-103.6 -68.3 160.5 30.3 3.4 28.4 40 40 A L G > S+ 0 0 77 1,-0.3 3,-1.3 2,-0.2 -31,-0.0 0.873 122.2 50.0 -52.3 -44.0 27.5 1.5 26.8 41 41 A E G 3 S+ 0 0 163 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.790 107.7 55.6 -67.5 -27.6 27.2 -0.9 29.7 42 42 A A G <> S+ 0 0 34 -3,-0.8 4,-1.9 1,-0.2 -1,-0.3 0.396 84.2 87.5 -84.9 3.5 27.1 2.0 32.1 43 43 A L H <> S+ 0 0 2 -3,-1.3 4,-2.4 -4,-0.3 5,-0.3 0.937 78.1 57.9 -80.0 -34.7 24.1 3.6 30.5 44 44 A P H > S+ 0 0 56 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.942 114.4 41.5 -52.6 -41.8 21.2 1.8 32.3 45 45 A G H > S+ 0 0 39 -4,-0.3 4,-1.6 2,-0.2 3,-0.4 0.894 110.9 57.1 -72.0 -39.0 22.6 3.1 35.5 46 46 A R H >X S+ 0 0 43 -4,-1.9 4,-2.5 1,-0.2 3,-0.6 0.948 103.8 51.6 -56.5 -52.9 23.4 6.5 34.1 47 47 A L H 3X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.3 -1,-0.2 0.789 105.6 56.4 -57.2 -29.5 19.8 7.2 33.1 48 48 A K H 3X S+ 0 0 139 -4,-0.9 4,-0.7 -3,-0.4 -1,-0.3 0.896 109.0 45.9 -69.9 -38.1 18.6 6.3 36.6 49 49 A E H XX S+ 0 0 80 -4,-1.6 4,-1.1 -3,-0.6 3,-1.0 0.904 108.8 57.6 -67.3 -41.1 20.9 8.9 38.0 50 50 A V H >X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.3 3,-1.0 0.922 101.1 55.6 -52.5 -50.0 19.6 11.3 35.3 51 51 A R H 3< S+ 0 0 69 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.744 110.8 46.2 -56.4 -27.1 16.0 10.8 36.5 52 52 A R H << S+ 0 0 216 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.622 132.6 4.4 -96.6 -13.2 17.0 11.9 40.0 53 53 A A H << S+ 0 0 42 -4,-1.1 2,-0.5 -3,-1.0 -2,-0.2 0.509 102.8 84.9-151.3 -4.1 19.1 15.0 39.3 54 54 A F < - 0 0 7 -4,-2.8 -50,-0.2 -5,-0.3 -1,-0.1 -0.915 47.8-159.5-115.4 133.1 19.3 16.1 35.7 55 55 A R S S- 0 0 11 -52,-1.5 34,-2.9 -2,-0.5 2,-0.3 0.853 80.2 -24.3 -70.0 -34.8 16.8 18.3 33.8 56 56 A G E -bC 4 88A 0 -53,-1.0 -51,-0.6 32,-0.2 2,-0.3 -0.974 56.8-155.8-172.6 159.2 18.2 16.9 30.6 57 57 A V E -bC 5 87A 1 30,-1.9 30,-3.1 -2,-0.3 2,-0.3 -0.985 14.8-134.5-144.3 153.6 21.1 15.3 28.8 58 58 A N E -bC 6 86A 4 -53,-2.1 -51,-3.2 -2,-0.3 2,-0.4 -0.808 23.7-145.8-102.9 149.5 22.6 15.0 25.3 59 59 A L E +b 7 0A 3 26,-1.7 -51,-0.2 -2,-0.3 2,-0.2 -0.960 21.3 169.4-120.9 136.9 23.7 11.6 24.1 60 60 A T >> + 0 0 47 -53,-2.4 3,-3.1 -2,-0.4 4,-0.7 -0.552 40.9 6.5-126.4-168.0 26.7 10.8 21.8 61 61 A L T 34 S+ 0 0 99 1,-0.3 -52,-2.9 -2,-0.2 -1,-0.2 -0.282 123.5 3.0 -57.2 135.1 28.6 7.8 20.7 62 62 A P T 34 S+ 0 0 53 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 -0.590 123.4 60.0-116.1 55.0 27.9 5.1 21.4 63 63 A L T <> S+ 0 0 0 -3,-3.1 4,-2.2 -56,-0.2 -2,-0.2 0.685 71.6 91.2-109.0 -25.0 24.6 5.7 23.3 64 64 A K T < S+ 0 0 40 -4,-0.7 20,-2.7 1,-0.2 4,-0.4 0.783 98.2 34.2 -43.8 -39.7 22.2 7.4 20.9 65 65 A E T 4 S+ 0 0 102 18,-0.2 3,-0.5 2,-0.1 4,-0.3 0.828 115.8 51.4 -91.0 -33.7 20.7 4.1 19.6 66 66 A A T >4 S+ 0 0 40 -4,-0.2 3,-0.7 1,-0.2 4,-0.4 0.740 97.1 74.3 -74.2 -21.0 20.7 1.9 22.7 67 67 A A G >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.834 77.2 73.6 -60.3 -38.8 19.0 4.7 24.7 68 68 A L G > S+ 0 0 33 -3,-0.5 3,-1.4 -4,-0.4 -1,-0.2 0.838 91.3 55.6 -45.8 -45.3 15.6 4.2 23.1 69 69 A A G < S+ 0 0 90 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.726 105.4 54.0 -64.9 -21.4 14.9 1.1 25.1 70 70 A H G < S+ 0 0 72 -3,-1.9 2,-0.3 -4,-0.4 -1,-0.3 0.033 93.4 93.2-102.6 27.9 15.5 2.8 28.4 71 71 A L < - 0 0 23 -3,-1.4 24,-0.2 1,-0.1 3,-0.1 -0.858 67.7-139.6-122.1 157.1 13.1 5.7 27.9 72 72 A D S S+ 0 0 61 22,-1.9 2,-0.3 -2,-0.3 23,-0.2 0.796 91.4 6.5 -79.4 -30.2 9.4 6.4 28.8 73 73 A W E -d 95 0A 35 21,-1.4 23,-2.9 264,-0.0 2,-0.4 -0.989 61.8-163.6-153.8 144.9 8.6 8.0 25.5 74 74 A V E -d 96 0A 20 -2,-0.3 23,-0.2 21,-0.2 5,-0.1 -0.998 30.1-111.3-135.0 130.5 10.4 8.6 22.2 75 75 A S > - 0 0 0 21,-2.7 4,-2.8 -2,-0.4 5,-0.2 -0.173 27.0-115.7 -59.2 149.9 9.4 11.1 19.5 76 76 A P H > S+ 0 0 68 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.901 118.3 47.8 -52.2 -42.6 8.1 9.8 16.2 77 77 A E H > S+ 0 0 42 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.913 110.8 49.1 -66.3 -44.7 11.2 11.3 14.4 78 78 A A H >>S+ 0 0 0 18,-0.2 4,-2.2 1,-0.2 5,-0.8 0.881 111.6 51.6 -63.1 -35.8 13.6 9.9 16.9 79 79 A Q H <5S+ 0 0 124 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.941 112.1 44.5 -65.7 -47.9 12.0 6.5 16.5 80 80 A R H <5S+ 0 0 162 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.944 116.3 45.6 -60.7 -50.3 12.2 6.6 12.7 81 81 A I H <5S- 0 0 1 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.860 104.8-137.5 -61.7 -34.3 15.8 7.8 12.8 82 82 A G T <5 + 0 0 19 -4,-2.2 2,-0.3 -5,-0.3 -14,-0.2 0.551 68.1 89.5 87.8 8.8 16.5 5.2 15.5 83 83 A A < - 0 0 4 -5,-0.8 2,-0.5 -6,-0.2 -18,-0.2 -0.997 56.9-154.3-143.9 145.0 18.5 7.5 17.6 84 84 A V + 0 0 0 -20,-2.7 14,-0.2 -2,-0.3 -17,-0.2 -0.965 17.0 167.5-117.4 126.4 18.1 9.9 20.5 85 85 A N S S+ 0 0 4 12,-1.4 -26,-1.7 -2,-0.5 2,-0.4 0.477 70.6 51.7-111.5 -9.9 20.6 12.7 21.0 86 86 A T E -CE 58 97A 0 11,-2.0 11,-3.1 -28,-0.2 2,-0.4 -0.972 60.9-174.8-136.8 123.7 18.4 14.7 23.5 87 87 A V E -CE 57 96A 0 -30,-3.1 -30,-1.9 -2,-0.4 2,-0.4 -0.932 7.7-159.1-117.1 137.3 16.7 13.5 26.7 88 88 A L E -CE 56 95A 1 7,-2.4 7,-2.3 -2,-0.4 2,-0.5 -0.954 5.8-153.3-116.3 132.5 14.4 15.5 28.9 89 89 A Q E + E 0 94A 9 -34,-2.9 2,-0.4 -2,-0.4 5,-0.2 -0.924 22.2 161.9-109.6 124.9 13.7 14.6 32.5 90 90 A V E > S- E 0 93A 0 3,-2.1 3,-3.1 -2,-0.5 416,-0.1 -0.989 73.7 -12.4-141.1 129.5 10.4 15.6 34.1 91 91 A E T 3 S- 0 0 45 -2,-0.4 3,-0.1 1,-0.3 -40,-0.1 0.819 127.1 -59.5 48.1 33.6 8.9 14.1 37.2 92 92 A G T 3 S+ 0 0 24 1,-0.3 -1,-0.3 -41,-0.2 2,-0.2 0.388 111.6 122.6 80.0 -6.1 11.5 11.4 36.9 93 93 A R E < - E 0 90A 63 -3,-3.1 -3,-2.1 -42,-0.1 2,-0.5 -0.642 54.5-138.6 -89.2 149.8 10.2 10.3 33.5 94 94 A L E - E 0 89A 0 -2,-0.2 -22,-1.9 -5,-0.2 -21,-1.4 -0.935 15.6-170.9-114.9 128.3 12.6 10.3 30.5 95 95 A F E -dE 73 88A 1 -7,-2.3 -7,-2.4 -2,-0.5 2,-0.4 -0.957 12.1-146.0-118.9 131.6 11.6 11.6 27.0 96 96 A G E +dE 74 87A 0 -23,-2.9 -21,-2.7 -2,-0.4 2,-0.3 -0.826 22.3 165.8-104.3 134.3 13.8 11.1 23.9 97 97 A F E - E 0 86A 0 -11,-3.1 -11,-2.0 -2,-0.4 -12,-1.4 -0.853 30.2-131.2-133.2 169.1 14.1 13.5 21.0 98 98 A N + 0 0 4 -2,-0.3 -14,-0.1 -14,-0.2 5,-0.1 -0.947 24.9 168.1-127.1 110.5 16.4 14.0 18.1 99 99 A T > + 0 0 0 -2,-0.5 4,-1.7 2,-0.1 5,-0.1 0.436 67.3 80.6 -98.8 -0.6 17.7 17.6 17.5 100 100 A D H > S+ 0 0 19 3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.942 93.7 47.0 -68.0 -46.5 20.3 16.5 15.0 101 101 A A H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -2,-0.1 0.974 120.3 34.8 -61.1 -59.7 17.8 16.3 12.2 102 102 A P H > S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.890 117.4 56.9 -64.8 -33.5 16.1 19.6 12.8 103 103 A G H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.903 102.3 54.6 -62.1 -40.8 19.4 21.1 13.8 104 104 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.937 109.2 47.5 -59.0 -47.0 21.0 20.1 10.5 105 105 A L H X S+ 0 0 35 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.883 111.5 49.0 -63.7 -40.6 18.3 21.9 8.5 106 106 A E H X S+ 0 0 67 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.911 109.4 54.4 -65.0 -41.5 18.5 25.1 10.6 107 107 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.925 109.6 46.0 -57.0 -47.7 22.3 25.1 10.3 108 108 A L H <>S+ 0 0 1 -4,-2.1 5,-2.7 2,-0.2 4,-0.2 0.947 115.1 48.2 -59.8 -49.4 22.1 24.9 6.5 109 109 A K H ><5S+ 0 0 155 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.963 114.5 43.2 -55.0 -60.7 19.5 27.7 6.4 110 110 A A H 3<5S+ 0 0 71 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.841 110.1 58.4 -57.4 -36.1 21.3 30.1 8.8 111 111 A G T 3<5S- 0 0 29 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.436 118.8-109.1 -76.1 2.3 24.6 29.4 6.9 112 112 A G T < 5S+ 0 0 42 -3,-2.0 -3,-0.2 -4,-0.2 -2,-0.1 0.892 76.3 133.6 73.4 37.6 23.1 30.5 3.7 113 113 A I < - 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0 0 1 -2,-1.0 4,-2.2 -3,-0.3 5,-0.2 -0.143 39.8-104.0 -71.9 169.8 -13.2 27.4 57.1 477 213 B R H > S+ 0 0 108 -25,-0.6 4,-3.6 -28,-0.3 5,-0.3 0.912 121.3 60.8 -62.9 -40.1 -15.2 26.1 60.0 478 214 B F H > S+ 0 0 1 -26,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.911 110.0 39.3 -51.1 -49.9 -13.5 22.7 59.4 479 215 B L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.836 115.3 52.5 -72.3 -34.5 -10.1 24.2 60.1 480 216 B R H X S+ 0 0 151 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.952 113.1 43.8 -66.5 -47.9 -11.3 26.4 62.9 481 217 B E H X S+ 0 0 31 -4,-3.6 4,-2.3 1,-0.2 -2,-0.2 0.962 114.8 50.0 -60.5 -49.3 -13.0 23.5 64.7 482 218 B A H <>S+ 0 0 0 -4,-2.4 5,-2.0 -5,-0.3 -1,-0.2 0.880 111.8 48.4 -55.4 -42.3 -9.9 21.3 64.1 483 219 B K H ><5S+ 0 0 105 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.918 110.5 50.6 -64.9 -43.5 -7.6 24.1 65.4 484 220 B A H 3<5S+ 0 0 87 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.840 106.4 57.1 -62.7 -32.7 -9.9 24.4 68.5 485 221 B K T 3<5S- 0 0 90 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.379 122.6-106.1 -80.7 4.4 -9.6 20.7 69.0 486 222 B G T < 5S+ 0 0 62 -3,-1.7 -22,-0.2 1,-0.3 -3,-0.2 0.379 74.2 137.0 90.0 -5.6 -5.8 20.9 69.1 487 223 B L < - 0 0 7 -5,-2.0 -1,-0.3 -6,-0.2 -22,-0.3 -0.398 60.2-110.5 -74.2 151.4 -5.1 19.4 65.7 488 224 B K E -t 465 0D 103 -24,-2.2 -22,-2.9 -2,-0.1 2,-0.3 -0.606 42.5-157.2 -78.1 144.3 -2.4 21.0 63.5 489 225 B V E -t 466 0D 38 -2,-0.2 2,-0.3 -24,-0.2 -22,-0.2 -0.883 20.3-170.9-128.2 159.1 -4.0 22.7 60.5 490 226 B Q E -t 467 0D 16 -24,-1.4 -22,-1.6 -2,-0.3 -118,-0.0 -0.977 19.8-135.7-146.9 129.9 -3.1 23.8 57.0 491 227 B T - 0 0 10 -2,-0.3 4,-0.4 -24,-0.2 -20,-0.1 -0.068 32.9-102.6 -72.2-177.1 -5.2 26.0 54.7 492 228 B G S > S+ 0 0 3 -22,-0.4 4,-1.5 -18,-0.3 3,-0.2 0.630 104.2 81.0 -85.9 -12.3 -5.6 25.1 51.0 493 229 B L H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.902 82.2 59.3 -61.5 -46.5 -3.1 27.7 49.7 494 230 B P H > S+ 0 0 13 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.900 108.4 46.7 -50.0 -44.0 0.1 25.8 50.3 495 231 B M H > S+ 0 0 22 -4,-0.4 4,-2.6 -3,-0.2 5,-0.3 0.900 112.1 50.3 -64.5 -41.8 -1.1 23.0 48.1 496 232 B L H X S+ 0 0 28 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.916 111.7 49.0 -61.8 -44.2 -2.1 25.5 45.4 497 233 B A H X S+ 0 0 1 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.896 113.7 45.5 -63.4 -42.7 1.3 27.2 45.7 498 234 B W H X S+ 0 0 45 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.872 109.5 51.7 -72.2 -38.7 3.2 23.9 45.4 499 235 B Q H X S+ 0 0 10 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.895 114.5 47.2 -64.8 -35.0 1.2 22.5 42.5 500 236 B G H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.920 112.1 46.8 -70.3 -45.6 1.9 25.8 40.7 501 237 B A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.880 114.0 49.6 -64.1 -37.2 5.6 25.8 41.5 502 238 B L H X S+ 0 0 30 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.885 109.0 51.8 -68.3 -39.9 5.9 22.2 40.4 503 239 B A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.919 109.6 49.6 -61.6 -44.8 4.0 22.9 37.2 504 240 B F H X>S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.5 0.919 110.0 50.7 -60.8 -43.4 6.4 25.8 36.4 505 241 B R H X5S+ 0 0 86 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.913 108.0 53.5 -59.4 -44.0 9.4 23.5 37.1 506 242 B L H <5S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.929 113.2 44.1 -55.8 -47.1 7.9 21.0 34.7 507 243 B W H <5S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.882 136.5 6.6 -68.0 -42.8 7.7 23.7 32.0 508 244 B T H <5S- 0 0 4 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.2 0.563 91.9-115.1-120.4 -13.9 11.1 25.3 32.5 509 245 B G S < - 0 0 87 1,-0.2 4,-2.0 -2,-0.1 5,-0.2 -0.338 36.7-150.1 -53.8 114.3 9.8 30.0 45.6 514 250 B P H > S+ 0 0 19 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.809 96.9 56.4 -58.3 -29.8 6.6 28.2 46.8 515 251 B S H > S+ 0 0 83 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.928 107.9 46.3 -67.1 -45.7 6.4 30.7 49.6 516 252 B G H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.827 110.8 54.2 -64.9 -32.0 6.4 33.6 47.2 517 253 B M H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.910 110.1 46.3 -67.1 -43.4 3.8 31.7 45.1 518 254 B E H X S+ 0 0 50 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.936 111.9 50.3 -65.1 -46.2 1.5 31.4 48.2 519 255 B E H X S+ 0 0 116 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.898 109.6 50.8 -59.2 -41.9 2.0 35.0 49.1 520 256 B A H X S+ 0 0 15 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.899 111.0 50.8 -61.1 -39.7 1.1 36.1 45.5 521 257 B A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.919 110.2 47.4 -63.5 -46.5 -1.9 33.9 45.9 522 258 B R H X>S+ 0 0 68 -4,-2.7 4,-2.5 2,-0.2 5,-1.4 0.915 110.3 51.9 -62.3 -45.3 -3.0 35.5 49.2 523 259 B R H <5S+ 0 0 209 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.916 109.8 50.3 -57.8 -43.5 -2.5 39.0 47.8 524 260 B A H <5S+ 0 0 52 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.909 111.9 47.7 -61.1 -42.2 -4.7 38.0 44.8 525 261 B L H <5S- 0 0 35 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.828 105.8-134.2 -66.9 -32.4 -7.3 36.7 47.3 526 262 B G T <5 0 0 65 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.1 0.669 360.0 360.0 84.9 19.4 -7.1 39.9 49.3 527 263 B V < 0 0 108 -5,-1.4 -1,-0.3 -53,-0.0 -2,-0.1 -0.615 360.0 360.0-117.7 360.0 -6.9 38.0 52.6