==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-JAN-97 2TRS . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.RHEE,K.D.PARRIS,C.C.HYDE,S.A.AHMED,E.W.MILES,D.R.DAVIES . 652 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 506 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 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 . 44 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 2 1 1 2 4 2 1 2 4 2 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 4 2 2 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 . 4 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 3 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 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 57 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -89.5 39.5 21.3 30.6 2 2 A E T >> + 0 0 129 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.597 360.0 78.6 -52.3 -40.8 36.0 22.8 30.6 3 3 A R H 3> S+ 0 0 81 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.810 93.5 56.0 -45.2 -33.8 36.1 26.2 28.9 4 4 A Y H <> S+ 0 0 4 -3,-1.1 4,-2.6 2,-0.2 5,-0.3 0.935 100.8 56.2 -66.8 -47.3 36.2 24.5 25.5 5 5 A E H <> S+ 0 0 125 -3,-0.8 4,-2.9 -4,-0.3 5,-0.2 0.921 110.4 46.0 -51.2 -49.4 33.0 22.5 26.0 6 6 A N H X S+ 0 0 76 -4,-1.3 4,-3.1 1,-0.2 5,-0.3 0.922 111.4 51.7 -61.0 -47.0 31.1 25.7 26.7 7 7 A L H X S+ 0 0 20 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.929 115.0 39.7 -58.3 -49.0 32.6 27.6 23.8 8 8 A F H X S+ 0 0 28 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.923 116.7 52.2 -69.7 -39.8 31.7 24.9 21.2 9 9 A A H X S+ 0 0 53 -4,-2.9 4,-1.3 -5,-0.3 -2,-0.2 0.889 116.3 38.4 -61.4 -40.9 28.3 24.3 22.9 10 10 A Q H X S+ 0 0 109 -4,-3.1 4,-2.0 -5,-0.2 -2,-0.2 0.865 114.0 54.3 -82.5 -29.4 27.4 28.0 22.8 11 11 A L H X>S+ 0 0 4 -4,-2.6 5,-1.8 -5,-0.3 4,-0.7 0.910 102.4 61.8 -64.2 -38.0 28.9 28.6 19.4 12 12 A N H ><5S+ 0 0 92 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.944 104.8 44.2 -50.8 -57.8 26.7 25.7 18.3 13 13 A D H 3<5S+ 0 0 110 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.891 112.4 52.5 -58.8 -40.5 23.5 27.6 19.2 14 14 A R H 3<5S- 0 0 116 -4,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.587 103.9-134.7 -69.1 -9.8 24.9 30.8 17.5 15 15 A R T <<5 + 0 0 172 -3,-1.8 2,-0.2 -4,-0.7 248,-0.2 0.903 63.1 131.8 46.4 49.2 25.6 28.7 14.4 16 16 A E < - 0 0 45 -5,-1.8 2,-0.3 246,-0.1 -1,-0.2 -0.647 55.5-127.5-115.5 170.0 28.9 30.4 14.3 17 17 A G - 0 0 0 244,-1.7 208,-0.3 -2,-0.2 2,-0.3 -0.866 30.2-103.1-117.5 158.9 32.3 28.9 13.9 18 18 A A E -a 225 0A 0 206,-2.4 208,-2.5 -2,-0.3 2,-0.5 -0.598 23.6-160.7 -83.8 141.9 35.3 29.5 16.3 19 19 A F E -a 226 0A 0 -2,-0.3 27,-2.3 25,-0.2 28,-0.6 -0.924 11.5-178.7-124.9 106.5 38.1 31.9 15.4 20 20 A V E -a 227 0A 2 206,-1.2 208,-1.5 -2,-0.5 28,-0.2 -0.919 12.7-153.8-101.3 108.0 41.2 31.2 17.5 21 21 A P E -a 228 0A 0 0, 0.0 28,-1.8 0, 0.0 2,-0.4 -0.528 9.3-140.4 -71.7 155.8 44.1 33.6 16.7 22 22 A F E +e 49 0B 19 206,-2.4 2,-0.3 26,-0.2 28,-0.2 -0.976 27.3 168.2-116.4 134.6 47.7 32.3 17.4 23 23 A V E -e 50 0B 1 26,-1.7 28,-2.7 -2,-0.4 2,-0.5 -0.990 35.3-119.5-144.9 147.3 50.3 34.7 19.0 24 24 A T E > -e 51 0B 1 -2,-0.3 3,-0.9 26,-0.2 2,-0.2 -0.767 35.3-118.4 -84.7 132.7 53.7 34.2 20.5 25 25 A L T 3 S+ 0 0 1 26,-3.0 5,-0.1 -2,-0.5 46,-0.1 -0.549 97.5 20.4 -68.0 128.8 53.8 35.4 24.1 26 26 A G T 3 S+ 0 0 0 3,-0.2 -1,-0.2 -2,-0.2 50,-0.1 0.146 81.3 159.4 102.0 -20.6 56.3 38.2 24.4 27 27 A D S < S- 0 0 0 -3,-0.9 -1,-0.2 1,-0.3 -3,-0.1 -0.697 80.0 -9.1 -84.0 119.0 56.6 39.3 20.8 28 28 A P S S- 0 0 31 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 -0.986 136.0 -27.3 -90.4 -3.8 57.7 42.2 20.7 29 29 A G > - 0 0 8 1,-0.2 4,-2.4 46,-0.1 -3,-0.2 -0.970 60.2-103.3-164.8 161.2 57.6 43.0 24.4 30 30 A I H > S+ 0 0 37 -2,-0.3 4,-2.7 44,-0.3 3,-0.5 0.963 115.3 42.7 -57.6 -58.8 55.6 42.0 27.4 31 31 A E H > S+ 0 0 115 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.868 118.4 46.1 -59.0 -39.1 53.3 45.0 27.8 32 32 A Q H > S+ 0 0 83 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.789 108.5 53.6 -84.9 -23.3 52.6 45.2 24.1 33 33 A S H >X S+ 0 0 0 -4,-2.4 4,-2.2 -3,-0.5 3,-0.6 0.962 108.6 52.7 -70.7 -44.6 52.0 41.5 23.7 34 34 A L H 3X S+ 0 0 28 -4,-2.7 4,-1.8 1,-0.3 -2,-0.2 0.881 107.5 50.4 -58.1 -39.5 49.4 41.8 26.5 35 35 A K H 3X S+ 0 0 120 -4,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.837 107.3 55.7 -69.1 -26.5 47.7 44.7 24.6 36 36 A I H S+ 0 0 1 -4,-1.9 5,-2.2 2,-0.2 4,-0.3 0.896 112.9 43.3 -67.2 -46.8 42.2 40.3 19.8 41 41 A I H ><5S+ 0 0 30 -4,-1.6 3,-2.2 -3,-0.5 -2,-0.2 0.974 113.8 50.3 -64.6 -52.5 39.6 39.2 22.3 42 42 A D T 3<5S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.565 109.9 54.3 -67.1 -10.9 37.8 42.6 22.1 43 43 A A T 3 5S- 0 0 13 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.2 0.464 133.1 -79.3-101.6 -4.2 37.8 42.2 18.3 44 44 A G T < 5 + 0 0 25 -3,-2.2 2,-0.5 -4,-0.3 -25,-0.2 0.580 68.5 156.2 124.8 8.9 36.1 38.7 18.3 45 45 A A < - 0 0 8 -5,-2.2 -1,-0.2 -4,-0.2 -25,-0.2 -0.526 25.5-161.7 -70.7 120.0 38.6 36.0 19.1 46 46 A D S S- 0 0 18 -27,-2.3 2,-0.3 -2,-0.5 -26,-0.2 0.811 71.4 -8.0 -70.1 -32.0 36.7 33.0 20.4 47 47 A A S S- 0 0 1 -28,-0.6 2,-0.4 48,-0.2 50,-0.2 -0.919 72.6-119.9-156.0 165.6 39.7 31.3 22.1 48 48 A L E - f 0 97B 1 48,-2.7 50,-2.0 -2,-0.3 2,-0.4 -0.911 9.5-162.3-118.2 146.1 43.4 31.9 22.1 49 49 A E E -ef 22 98B 3 -28,-1.8 -26,-1.7 -2,-0.4 2,-0.4 -1.000 22.8-170.3-119.8 117.7 46.3 29.7 21.0 50 50 A L E -ef 23 99B 0 48,-2.9 50,-3.3 -2,-0.4 2,-0.4 -0.914 11.6-151.0-117.4 139.6 49.5 31.0 22.6 51 51 A G E -ef 24 100B 4 -28,-2.7 -26,-3.0 -2,-0.4 50,-0.1 -0.885 7.7-145.4-107.1 140.0 53.1 30.0 21.8 52 52 A V - 0 0 9 48,-1.2 2,-0.2 -2,-0.4 -26,-0.1 -0.847 40.1 -95.4 -94.4 138.8 55.9 30.2 24.4 53 53 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 28,-0.1 -0.350 46.1-178.7 -58.4 115.0 59.3 31.1 22.8 54 54 A F - 0 0 2 -2,-0.2 501,-0.1 1,-0.1 18,-0.1 -0.939 28.0-136.2-109.4 143.0 61.4 28.0 22.0 55 55 A S S S+ 0 0 39 -2,-0.4 -1,-0.1 1,-0.2 500,-0.1 0.937 96.9 40.2 -63.7 -38.2 64.9 28.3 20.5 56 56 A D - 0 0 2 368,-0.0 2,-2.0 377,-0.0 -1,-0.2 -0.470 69.0-173.5-118.9 65.0 64.5 25.5 18.0 57 57 A P > + 0 0 5 0, 0.0 3,-1.5 0, 0.0 8,-0.1 -0.299 4.3 179.6 -57.1 75.6 61.0 25.7 16.4 58 58 A L T 3 S+ 0 0 4 -2,-2.0 44,-0.0 1,-0.2 483,-0.0 0.739 80.6 38.8 -45.5 -34.9 61.1 22.4 14.3 59 59 A A T 3 S+ 0 0 14 123,-0.1 124,-2.0 2,-0.1 2,-0.6 0.329 100.2 91.3-104.6 10.8 57.5 22.9 13.0 60 60 A D < - 0 0 9 -3,-1.5 377,-0.1 122,-0.3 124,-0.1 -0.891 59.0-155.0-119.9 120.2 57.6 26.6 12.6 61 61 A G >> - 0 0 1 -2,-0.6 4,-1.8 122,-0.2 3,-0.7 -0.027 48.2 -61.3 -77.9-166.6 58.5 28.4 9.5 62 62 A P H 3> S+ 0 0 66 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.693 121.0 52.0 -65.5 -41.3 59.9 31.9 9.3 63 63 A T H 3> S+ 0 0 9 120,-0.3 4,-2.8 1,-0.2 121,-0.1 0.911 117.0 41.6 -61.7 -42.2 57.3 34.4 10.7 64 64 A I H <> S+ 0 0 9 -3,-0.7 4,-3.0 119,-0.2 -1,-0.2 0.861 112.6 55.1 -75.1 -35.3 56.9 32.5 13.9 65 65 A Q H X S+ 0 0 21 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.939 112.1 43.3 -62.6 -39.9 60.7 31.9 14.0 66 66 A N H X S+ 0 0 82 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.940 111.1 56.2 -70.7 -38.2 61.1 35.7 13.8 67 67 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.931 108.2 47.4 -55.2 -49.0 58.3 36.1 16.3 68 68 A N H X S+ 0 0 9 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.933 109.4 53.2 -60.4 -43.5 60.3 33.9 18.7 69 69 A L H X S+ 0 0 93 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.872 106.4 54.9 -59.8 -35.0 63.4 35.9 18.0 70 70 A R H X S+ 0 0 35 -4,-2.4 4,-2.2 2,-0.2 3,-0.3 0.952 108.8 44.4 -64.4 -50.4 61.4 39.0 18.9 71 71 A A H X>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.3 4,-0.7 0.890 111.0 56.6 -64.3 -35.7 60.3 37.7 22.4 72 72 A F H <5S+ 0 0 64 -4,-2.5 3,-0.5 2,-0.2 -1,-0.3 0.872 108.1 45.4 -62.0 -38.9 63.8 36.5 23.0 73 73 A A H <5S+ 0 0 94 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.872 110.7 55.8 -68.6 -36.3 65.2 40.1 22.3 74 74 A A H <5S- 0 0 38 -4,-2.2 -44,-0.3 -5,-0.1 -2,-0.2 0.566 117.8-117.9 -67.8 -17.0 62.4 41.3 24.6 75 75 A G T <5 + 0 0 36 -4,-0.7 2,-0.6 -3,-0.5 -3,-0.2 0.544 52.8 163.7 92.2 14.4 63.7 39.0 27.4 76 76 A V < - 0 0 3 -5,-2.4 -1,-0.2 -50,-0.1 -2,-0.1 -0.464 13.5-175.0 -74.8 107.1 60.6 36.8 27.7 77 77 A T > - 0 0 46 -2,-0.6 4,-1.6 1,-0.1 3,-0.3 -0.672 43.2 -97.9 -88.4 159.6 61.5 33.6 29.6 78 78 A P H > S+ 0 0 22 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.865 126.8 51.5 -25.4 -51.3 59.2 30.6 30.2 79 79 A A H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.908 105.9 50.7 -70.0 -39.8 58.6 32.1 33.7 80 80 A Q H > S+ 0 0 55 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.754 108.0 57.3 -68.9 -19.1 57.6 35.5 32.4 81 81 A C H >X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 3,-0.5 0.983 106.9 45.9 -67.6 -54.4 55.2 33.7 30.0 82 82 A F H 3X S+ 0 0 21 -4,-2.0 4,-2.0 1,-0.3 -2,-0.2 0.810 110.3 55.2 -54.7 -34.9 53.5 32.0 32.9 83 83 A E H 3X S+ 0 0 135 -4,-1.9 4,-0.9 2,-0.2 -1,-0.3 0.879 110.7 44.1 -65.9 -40.0 53.4 35.4 34.6 84 84 A M H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 3,-1.3 0.984 114.5 44.2 -65.4 -54.6 45.4 37.2 31.0 89 89 A R H >< S+ 0 0 25 -4,-2.3 3,-0.6 1,-0.3 -2,-0.2 0.904 105.4 63.3 -57.4 -43.8 43.2 34.7 32.9 90 90 A E H 3< S+ 0 0 154 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.733 117.4 28.7 -57.3 -22.7 42.8 37.2 35.8 91 91 A K H << S+ 0 0 92 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.517 125.9 42.8-117.0 -5.7 41.1 39.6 33.5 92 92 A H << + 0 0 32 -4,-1.4 3,-0.3 -3,-0.6 -1,-0.2 -0.587 67.2 174.0-137.0 80.4 39.5 37.2 30.9 93 93 A P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.508 71.3 36.0 -71.6 -6.7 38.0 34.4 33.0 94 94 A T S S+ 0 0 96 2,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.695 80.2 103.0-121.9 -28.5 36.2 32.5 30.4 95 95 A I S S- 0 0 14 -3,-0.3 2,-0.3 1,-0.1 -48,-0.2 -0.402 76.6-115.0 -63.0 130.7 38.0 32.6 27.0 96 96 A P - 0 0 2 0, 0.0 -48,-2.7 0, 0.0 2,-0.5 -0.648 28.4-158.4 -70.5 129.6 39.8 29.2 26.5 97 97 A I E -f 48 0B 2 -2,-0.3 27,-2.4 25,-0.2 28,-1.2 -0.968 9.4-174.9-105.0 121.2 43.6 29.5 26.4 98 98 A G E -fg 49 125B 0 -50,-2.0 -48,-2.9 -2,-0.5 2,-0.4 -0.897 15.7-140.8-112.9 146.9 45.6 26.7 24.7 99 99 A L E -fg 50 126B 0 26,-1.9 28,-3.0 -2,-0.4 2,-0.7 -0.923 1.8-146.9-108.4 134.9 49.4 26.6 24.8 100 100 A L E +fg 51 127B 25 -50,-3.3 -48,-1.2 -2,-0.4 2,-0.2 -0.910 34.6 177.7-100.5 110.7 51.5 25.6 21.8 101 101 A M E - g 0 128B 6 26,-3.5 28,-2.9 -2,-0.7 2,-0.4 -0.701 31.3-138.3-115.7 163.9 54.6 23.8 23.2 102 102 A Y >> - 0 0 9 -2,-0.2 4,-0.8 26,-0.2 3,-0.7 -0.964 35.6-113.0-115.5 150.0 57.8 22.0 22.2 103 103 A A H 3> S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.3 3,-0.3 0.666 107.1 54.2 -59.8 -33.4 58.8 19.0 24.1 104 104 A N H 3> S+ 0 0 0 436,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.922 104.2 56.3 -75.2 -40.8 61.9 20.1 25.9 105 105 A L H <4 S+ 0 0 16 -3,-0.7 4,-0.3 1,-0.2 -1,-0.2 0.803 113.2 42.1 -54.9 -34.0 60.3 23.1 27.5 106 106 A V H < S+ 0 0 1 -4,-0.8 8,-0.3 -3,-0.3 3,-0.3 0.885 117.7 47.1 -78.3 -43.9 57.6 20.8 29.0 107 107 A F H >< S+ 0 0 44 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.794 87.9 92.4 -70.3 -30.0 60.3 18.1 30.0 108 108 A N T 3< S+ 0 0 25 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.791 103.5 11.2 -35.1 -66.9 62.8 20.5 31.6 109 109 A N T 3 S- 0 0 136 1,-0.4 -1,-0.3 -4,-0.3 4,-0.1 0.121 135.5 -53.1-110.6 28.8 61.8 20.5 35.2 110 110 A G <> - 0 0 31 -3,-1.7 4,-1.7 -4,-0.1 -1,-0.4 0.138 42.5-118.6 105.7 130.9 59.4 17.6 35.1 111 111 A I H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.955 115.7 47.2 -60.5 -50.9 56.5 16.9 32.9 112 112 A D H > S+ 0 0 66 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.907 108.4 54.8 -64.9 -38.4 54.1 16.8 35.8 113 113 A A H > S+ 0 0 54 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.873 107.0 52.6 -63.5 -33.1 55.5 20.0 37.3 114 114 A F H X S+ 0 0 17 -4,-1.7 4,-1.9 -8,-0.3 -1,-0.2 0.944 109.5 46.5 -67.4 -45.1 54.8 21.7 34.0 115 115 A Y H X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.876 108.8 59.0 -68.4 -28.4 51.2 20.6 33.8 116 116 A A H X S+ 0 0 33 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.882 106.0 44.3 -65.1 -41.5 50.8 21.7 37.4 117 117 A R H X S+ 0 0 97 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.841 111.1 56.9 -76.8 -25.8 51.8 25.3 36.8 118 118 A C H X>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 4,-1.2 0.961 110.4 43.0 -62.6 -49.2 49.5 25.2 33.8 119 119 A E H ><5S+ 0 0 80 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.947 113.2 52.8 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77.9 -99.7 148.9-161.1 48.6 21.0 4.5 180 180 A S S S+ 0 0 30 -2,-0.2 2,-0.3 2,-0.1 261,-0.2 -0.915 70.9 49.4-139.3 166.1 52.1 19.8 5.2 181 181 A G S S- 0 0 12 259,-0.8 2,-0.3 -2,-0.3 101,-0.1 -0.803 88.9 -44.1 110.9-151.2 55.3 21.7 6.1 182 182 A V S S- 0 0 27 -2,-0.3 -122,-0.3 1,-0.1 -2,-0.1 -0.903 74.8 -67.6-127.4 152.5 56.0 24.3 8.7 183 183 A T + 0 0 13 -124,-2.0 -120,-0.3 -2,-0.3 2,-0.3 0.038 66.1 134.2 -46.7 134.3 54.0 27.4 9.6 184 184 A G - 0 0 7 3,-0.1 24,-0.4 -122,-0.1 46,-0.1 -0.970 60.7-118.2-174.3 157.8 53.6 30.3 7.1 185 185 A A S S+ 0 0 35 -2,-0.3 2,-0.3 45,-0.2 -2,-0.1 -0.194 102.6 58.6 -95.2 41.1 51.1 32.8 5.5 186 186 A E 0 0 104 1,-0.3 22,-0.1 24,-0.0 44,-0.0 -0.905 360.0 360.0-160.4 156.7 51.9 31.2 2.1 187 187 A N 0 0 139 -2,-0.3 -1,-0.3 21,-0.1 -3,-0.1 0.971 360.0 360.0 70.8 360.0 51.6 27.5 1.0 188 ! 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 0.0 189 194 A H > 0 0 159 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -47.6 36.1 16.7 4.6 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Q H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.668 108.4 52.7 -73.8 -26.2 70.8 5.0 2.6 357 95 B A H X S+ 0 0 1 -4,-1.3 4,-2.5 -3,-0.3 5,-0.2 0.857 109.0 49.4 -80.2 -36.3 70.9 6.1 -1.0 358 96 B L H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 5,-0.2 0.940 113.7 48.7 -65.0 -41.6 70.2 2.5 -2.1 359 97 B L H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.931 110.0 52.1 -58.3 -44.0 67.3 2.5 0.6 360 98 B A H <>S+ 0 0 0 -4,-1.9 5,-2.5 1,-0.2 3,-0.5 0.956 113.5 41.2 -59.0 -48.8 66.1 5.8 -0.9 361 99 B K H ><5S+ 0 0 78 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.827 110.0 59.1 -73.3 -26.0 66.0 4.4 -4.5 362 100 B R H 3<5S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.828 104.8 51.0 -66.2 -29.4 64.5 1.1 -3.2 363 101 B M T 3<5S- 0 0 24 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.135 123.0-111.4 -91.3 20.2 61.6 3.1 -1.8 364 102 B G T < 5 + 0 0 70 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.687 68.3 150.2 56.7 25.0 61.3 4.8 -5.3 365 103 B K < - 0 0 14 -5,-2.5 81,-0.2 -6,-0.2 -1,-0.2 -0.450 28.0-176.0 -86.7 164.3 62.5 8.2 -3.9 366 104 B S + 0 0 44 79,-2.0 25,-2.5 -2,-0.1 2,-0.3 0.478 58.0 58.2-142.9 -7.5 64.4 10.7 -6.0 367 105 B E E -st 391 446F 55 78,-0.7 80,-2.1 23,-0.2 2,-0.4 -0.870 61.8-155.7-120.3 163.3 65.5 13.7 -4.0 368 106 B I E -st 392 447F 0 23,-1.9 25,-2.4 -2,-0.3 2,-0.4 -0.990 2.2-161.6-138.3 136.3 67.8 13.6 -1.0 369 107 B I E +st 393 448F 0 78,-2.4 80,-3.4 -2,-0.4 2,-0.3 -0.931 20.2 161.7-113.4 148.2 68.0 16.2 1.8 370 108 B A E -st 394 449F 0 23,-1.6 25,-1.5 -2,-0.4 2,-0.3 -0.977 26.2-142.0-157.5 167.7 71.0 16.3 4.1 371 109 B E E -s 395 0F 5 78,-0.5 2,-0.3 -2,-0.3 25,-0.2 -0.917 18.1-171.1-131.3 153.8 72.7 18.7 6.6 372 110 B T E +s 396 0F 0 23,-2.2 25,-0.6 -2,-0.3 28,-0.1 -0.983 22.5 173.1-152.3 149.2 76.4 19.1 7.1 373 111 B G S S+ 0 0 0 -2,-0.3 192,-0.2 23,-0.1 191,-0.1 0.571 93.8 31.4-121.1 -59.5 78.7 20.9 9.5 374 112 B A S S- 0 0 0 190,-0.3 33,-0.2 191,-0.1 191,-0.1 0.580 107.9-122.5 -76.3 -6.6 82.3 19.8 8.7 375 113 B G S > S+ 0 0 0 189,-0.1 4,-2.6 32,-0.1 5,-0.2 0.129 87.3 108.8 89.7 -16.2 81.0 19.6 5.1 376 114 B Q H > S+ 0 0 6 279,-1.1 4,-1.5 1,-0.3 -26,-0.1 0.715 78.8 43.1 -69.9 -26.5 82.1 15.9 4.9 377 115 B H H > S+ 0 0 0 278,-0.6 4,-1.5 2,-0.2 -1,-0.3 0.781 112.2 57.5 -88.2 -25.7 78.6 14.4 5.0 378 116 B G H >> S+ 0 0 0 277,-0.2 4,-2.8 2,-0.2 3,-0.6 0.981 109.3 43.9 -58.8 -54.0 77.6 17.1 2.5 379 117 B V H 3X S+ 0 0 1 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.913 112.4 52.4 -59.9 -47.4 80.3 15.9 0.1 380 118 B A H 3X S+ 0 0 1 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.792 111.8 45.6 -65.3 -24.4 79.4 12.2 0.7 381 119 B S H S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 5,-1.7 0.975 111.3 47.4 -62.7 -56.3 73.5 11.1 -5.4 386 124 B A H <5S+ 0 0 64 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.918 115.0 48.6 -55.1 -43.6 75.6 11.8 -8.6 387 125 B L H <5S+ 0 0 70 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.969 120.9 33.4 -60.3 -51.5 76.6 8.2 -8.6 388 126 B L H <5S- 0 0 49 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.486 109.4-107.1 -91.7 -3.0 73.0 6.9 -8.2 389 127 B G T <5S+ 0 0 48 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.768 71.2 135.6 86.9 27.7 70.8 9.4 -10.1 390 128 B L < - 0 0 17 -5,-1.7 2,-0.4 -6,-0.2 -1,-0.3 -0.717 53.4-124.2-104.0 154.0 69.2 11.2 -7.1 391 129 B K E -s 367 0F 122 -25,-2.5 -23,-1.9 -2,-0.3 2,-0.4 -0.827 31.3-154.0 -98.6 146.6 68.9 15.0 -6.8 392 130 B C E -s 368 0F 15 23,-0.4 25,-2.6 -2,-0.4 2,-0.4 -0.936 21.9-179.7-138.4 124.9 70.4 16.5 -3.7 393 131 B R E -su 369 417F 38 -25,-2.4 -23,-1.6 -2,-0.4 2,-0.3 -0.960 15.1-167.8-118.3 138.9 69.9 19.6 -1.4 394 132 B I E -su 370 418F 0 23,-3.1 25,-3.1 -2,-0.4 2,-0.4 -0.871 13.4-145.6-125.2 151.0 72.0 20.3 1.6 395 133 B Y E +su 371 419F 14 -25,-1.5 -23,-2.2 -2,-0.3 2,-0.3 -0.977 25.2 167.7-117.1 135.2 71.8 22.7 4.5 396 134 B M E -su 372 420F 0 23,-1.7 25,-1.9 -2,-0.4 2,-0.4 -0.995 27.4-122.8-145.6 144.6 75.0 24.1 6.0 397 135 B G E >> - u 0 421F 0 -25,-0.6 4,-1.7 -2,-0.3 3,-1.7 -0.771 25.1-108.6-102.3 143.3 75.5 26.9 8.4 398 136 B A H 3> S+ 0 0 26 23,-2.3 4,-2.1 -2,-0.4 5,-0.1 0.631 111.4 45.1 -28.1 -54.9 77.6 30.1 8.0 399 137 B K H 3> S+ 0 0 105 27,-0.9 4,-2.9 1,-0.2 -1,-0.3 0.849 115.9 49.0 -74.4 -23.7 80.6 29.5 10.3 400 138 B D H <> S+ 0 0 0 -3,-1.7 4,-2.1 26,-0.2 -2,-0.2 0.907 107.0 54.2 -73.9 -42.4 81.0 25.9 9.0 401 139 B V H < S+ 0 0 27 -4,-1.7 7,-0.2 2,-0.2 3,-0.2 0.949 115.8 42.6 -50.7 -51.8 80.8 27.2 5.4 402 140 B E H >< S+ 0 0 107 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.989 116.3 44.7 -57.6 -67.4 83.7 29.5 6.4 403 141 B R H 3< S+ 0 0 39 -4,-2.9 245,-0.3 1,-0.3 -1,-0.2 0.667 125.3 34.1 -52.6 -25.4 85.7 27.0 8.5 404 142 B Q T >X + 0 0 2 -4,-2.1 3,-1.5 -3,-0.2 4,-1.2 -0.003 66.5 144.2-127.8 32.0 85.3 24.3 5.8 405 143 B S H <> + 0 0 68 -3,-1.6 4,-1.5 1,-0.2 5,-0.2 0.726 68.6 67.7 -44.3 -32.6 85.3 26.1 2.4 406 144 B P H 3> S+ 0 0 44 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.952 105.6 41.6 -41.7 -55.2 87.2 23.2 0.7 407 145 B N H <> S+ 0 0 1 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 0.809 103.1 68.6 -73.0 -27.3 84.2 21.0 1.2 408 146 B V H X S+ 0 0 25 -4,-1.2 4,-1.7 -7,-0.2 -1,-0.2 0.920 109.3 35.1 -58.2 -47.0 81.8 23.7 0.2 409 147 B F H X S+ 0 0 133 -4,-1.5 4,-3.0 -3,-0.3 5,-0.2 0.845 110.8 58.0 -84.4 -29.9 83.1 23.6 -3.5 410 148 B R H X S+ 0 0 70 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.970 113.1 45.6 -54.6 -45.9 83.8 19.8 -3.8 411 149 B M H <>S+ 0 0 0 -4,-2.2 5,-1.1 1,-0.2 -2,-0.2 0.915 112.2 49.9 -61.0 -48.5 80.1 19.6 -2.9 412 150 B R H ><5S+ 0 0 110 -4,-1.7 3,-2.4 -5,-0.2 4,-0.5 0.963 105.5 56.0 -59.6 -51.3 79.1 22.3 -5.3 413 151 B L H 3<5S+ 0 0 137 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.838 100.3 59.1 -53.4 -36.6 81.0 20.7 -8.3 414 152 B M T 3<5S- 0 0 70 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.365 124.5-103.1 -78.6 11.5 79.2 17.4 -8.0 415 153 B G T < 5S+ 0 0 66 -3,-2.4 -23,-0.4 1,-0.2 2,-0.4 0.896 70.6 144.1 75.6 42.6 75.9 19.3 -8.5 416 154 B A < - 0 0 4 -5,-1.1 2,-0.6 -4,-0.5 -1,-0.2 -0.873 50.1-121.1-111.2 145.7 74.4 19.6 -5.0 417 155 B E E -u 393 0F 88 -25,-2.6 -23,-3.1 -2,-0.4 2,-0.8 -0.742 19.0-157.2 -85.5 120.6 72.5 22.6 -3.8 418 156 B V E -u 394 0F 7 -2,-0.6 -23,-0.2 -25,-0.2 -25,-0.0 -0.887 5.2-164.4 -96.8 110.2 74.1 24.2 -0.6 419 157 B I E -u 395 0F 48 -25,-3.1 -23,-1.7 -2,-0.8 2,-1.2 -0.885 20.5-137.0 -96.8 110.4 71.3 26.1 1.0 420 158 B P E -u 396 0F 68 0, 0.0 -23,-0.2 0, 0.0 -25,-0.1 -0.546 18.1-142.9 -90.2 89.8 73.3 28.3 3.4 421 159 B V E +u 397 0F 6 -25,-1.9 -23,-2.3 -2,-1.2 10,-0.1 -0.142 46.2 139.8 -63.7 132.9 71.7 28.4 6.8 422 160 B H + 0 0 133 -25,-0.2 2,-0.5 8,-0.1 3,-0.2 -0.454 23.2 137.4-168.7 72.5 71.5 31.3 9.0 423 161 B S S S- 0 0 33 1,-0.1 3,-0.4 -2,-0.0 11,-0.1 -0.951 91.4 -39.6-121.1 98.1 68.0 30.9 10.3 424 162 B G S S+ 0 0 53 -2,-0.5 2,-0.8 1,-0.2 -1,-0.1 -0.294 137.0 9.8 72.7-145.3 69.1 31.9 13.7 425 163 B S S S- 0 0 51 -3,-0.2 -1,-0.2 1,-0.1 4,-0.1 0.262 84.5-141.4 -52.1 0.3 72.4 30.5 15.0 426 164 B A + 0 0 14 -2,-0.8 -27,-0.9 -3,-0.4 2,-0.3 0.858 56.0 106.7 35.7 78.0 73.7 29.1 11.7 427 165 B T S > S- 0 0 19 -29,-0.1 4,-2.5 -28,-0.1 3,-0.2 -0.922 91.1 -70.9-158.4-179.2 75.4 25.9 12.6 428 166 B L H > S+ 0 0 8 -2,-0.3 4,-3.3 139,-0.3 5,-0.2 0.885 131.2 58.6 -49.4 -47.0 74.7 22.2 12.4 429 167 B K H > S+ 0 0 11 138,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.940 111.4 42.0 -48.2 -48.6 72.0 22.6 15.0 430 168 B D H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.827 112.8 51.7 -73.5 -30.7 70.3 25.1 12.6 431 169 B A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.969 107.1 54.6 -66.7 -52.6 70.9 23.0 9.6 432 170 B C H X S+ 0 0 3 -4,-3.3 4,-1.5 1,-0.2 -2,-0.2 0.822 110.6 46.1 -43.2 -46.2 69.4 19.9 11.3 433 171 B N H X S+ 0 0 1 -4,-1.5 4,-2.6 -5,-0.2 3,-0.3 0.954 111.2 50.5 -69.6 -51.3 66.2 21.9 12.0 434 172 B E H X S+ 0 0 38 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.805 109.1 53.0 -56.5 -32.2 66.0 23.3 8.5 435 173 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.863 109.3 47.1 -72.7 -38.9 66.4 19.9 7.0 436 174 B L H X S+ 0 0 4 -4,-1.5 4,-1.7 -3,-0.3 -2,-0.2 0.922 109.6 54.3 -68.2 -43.3 63.5 18.4 9.1 437 175 B R H >X S+ 0 0 8 -4,-2.6 3,-0.7 2,-0.2 4,-0.6 0.967 112.2 44.1 -51.2 -57.1 61.2 21.4 8.3 438 176 B D H >X S+ 0 0 33 -4,-1.9 4,-2.2 1,-0.3 3,-1.9 0.934 112.1 52.1 -56.1 -52.2 61.8 20.8 4.4 439 177 B W H 3X S+ 0 0 8 -4,-2.3 4,-1.8 1,-0.3 -1,-0.3 0.771 97.0 68.0 -63.1 -19.7 61.4 17.0 4.8 440 178 B S H << S+ 0 0 4 -4,-1.7 -259,-0.8 -3,-0.7 -1,-0.3 0.768 113.0 32.3 -66.1 -26.7 58.0 17.7 6.6 441 179 B G H << S+ 0 0 27 -3,-1.9 3,-0.4 -4,-0.6 -2,-0.2 0.875 125.7 41.2 -82.5 -61.9 56.8 18.9 3.2 442 180 B S H >X S+ 0 0 24 -4,-2.2 3,-2.6 1,-0.2 4,-1.7 0.543 73.0 117.3 -68.0 -12.5 58.8 16.6 0.8 443 181 B Y T 3< S+ 0 0 21 -4,-1.8 -1,-0.2 1,-0.3 5,-0.1 0.461 70.1 57.9 -47.5 -9.2 58.7 13.2 2.5 444 182 B E T 34 S+ 0 0 125 -3,-0.4 -1,-0.3 -2,-0.4 -2,-0.1 0.688 124.7 18.4 -97.2 -18.1 56.8 11.4 -0.2 445 183 B T T <4 S+ 0 0 58 -3,-2.6 -79,-2.0 1,-0.1 -78,-0.7 0.700 120.3 65.0-105.5 -49.4 59.4 12.1 -3.0 446 184 B A E < -t 367 0F 1 -4,-1.7 2,-0.4 -81,-0.2 -78,-0.2 -0.556 62.7-151.9 -82.6 136.9 62.4 13.0 -0.9 447 185 B H E -t 368 0F 3 -80,-2.1 -78,-2.4 -2,-0.2 2,-0.7 -0.862 18.5-132.8-102.1 141.9 64.5 10.9 1.5 448 186 B Y E -t 369 0F 0 -2,-0.4 2,-1.3 -80,-0.2 -78,-0.2 -0.852 12.1-157.8 -94.1 109.4 66.3 12.7 4.4 449 187 B M E -t 370 0F 1 -80,-3.4 -78,-0.5 -2,-0.7 2,-0.2 -0.752 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-2,-0.2 0.908 113.1 48.5 -55.6 -51.4 92.4 26.6 9.4 649 387 B V H >< S+ 0 0 22 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.841 109.0 55.7 -65.4 -31.4 95.4 25.1 11.3 650 388 B H H 3< S+ 0 0 114 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.838 98.3 61.3 -70.0 -31.0 97.8 27.3 9.4 651 389 B D T << S+ 0 0 106 -4,-1.4 2,-0.8 -3,-0.6 -1,-0.2 0.365 86.4 81.4 -81.5 10.2 95.9 30.4 10.5 652 390 B I < 0 0 89 -3,-1.1 -1,-0.2 -4,-0.1 -4,-0.0 -0.907 360.0 360.0-112.3 88.0 96.8 29.4 14.1 653 391 B L 0 0 176 -2,-0.8 -3,-0.0 0, 0.0 0, 0.0 -0.946 360.0 360.0-147.7 360.0 100.3 30.9 14.1 654 ! 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 0.0 655 398 B X 0 0 17 0, 0.0 -279,-1.1 0, 0.0 -278,-0.6 0.000 360.0 360.0 360.0 360.0 79.3 15.8 10.0