==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 24-DEC-02 1J21 . COMPND 2 MOLECULE: ARGININOSUCCINATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.GOTO,K.HIROTSU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 1520 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1105 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 11.8 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 . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.1 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 . 87 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 549 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.1 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 3 0 4 4 0 1 4 2 5 1 11 4 0 4 0 0 4 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 4 8 0 0 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 8 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 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 93 0, 0.0 26,-3.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 131.1 23.3 67.0 75.8 2 2 A K E -a 27 0A 63 105,-0.3 108,-1.2 24,-0.2 107,-0.7 -0.902 360.0-165.1-118.3 146.3 19.5 67.5 75.5 3 3 A I E -ab 28 110A 0 24,-2.3 26,-2.4 -2,-0.3 2,-0.8 -0.992 13.6-145.4-133.8 125.5 17.1 65.5 73.4 4 4 A V E -ab 29 111A 0 106,-2.4 108,-2.3 -2,-0.4 2,-0.4 -0.815 24.5-161.7 -91.8 111.7 13.5 66.7 72.5 5 5 A L E -ab 30 112A 0 24,-2.2 26,-2.3 -2,-0.8 2,-1.3 -0.810 23.1-130.1-100.9 132.7 11.4 63.5 72.4 6 6 A A E -a 31 0A 15 106,-2.5 2,-0.6 -2,-0.4 108,-0.3 -0.696 38.9-170.1 -77.8 101.6 8.0 63.3 70.7 7 7 A Y + 0 0 2 24,-2.6 26,-0.1 -2,-1.3 41,-0.1 -0.885 25.1 174.7-105.6 116.2 6.3 61.7 73.8 8 8 A S - 0 0 75 -2,-0.6 -1,-0.1 24,-0.1 3,-0.1 0.498 49.7-115.7 -95.1 -7.8 2.8 60.4 73.4 9 9 A G S S+ 0 0 12 1,-0.2 -2,-0.1 35,-0.1 23,-0.0 0.332 72.6 121.2 93.1 -8.0 2.6 58.9 76.8 10 10 A G S > S- 0 0 35 1,-0.0 4,-1.1 4,-0.0 -1,-0.2 -0.008 79.1 -89.0 -78.9-172.3 2.3 55.2 75.9 11 11 A L H > S+ 0 0 34 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.958 120.6 48.5 -63.4 -52.8 4.6 52.3 76.8 12 12 A D H > S+ 0 0 48 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.918 112.6 44.8 -57.5 -50.9 7.0 52.6 73.9 13 13 A T H > S+ 0 0 11 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.793 114.0 52.4 -65.9 -25.5 7.7 56.3 74.1 14 14 A S H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.913 111.1 45.7 -73.1 -42.9 8.1 55.8 77.9 15 15 A I H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.898 112.1 53.0 -63.3 -40.2 10.6 53.0 77.3 16 16 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.851 103.5 56.8 -64.2 -34.9 12.2 55.3 74.7 17 17 A L H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.957 111.6 41.5 -63.3 -47.0 12.5 58.0 77.3 18 18 A K H X S+ 0 0 46 -4,-1.9 4,-2.1 1,-0.2 5,-0.3 0.938 114.0 53.4 -63.1 -47.0 14.5 55.7 79.6 19 19 A W H X S+ 0 0 26 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.894 107.8 50.0 -54.3 -46.7 16.5 54.4 76.8 20 20 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 6,-0.8 0.870 108.6 53.0 -62.9 -39.2 17.6 57.8 75.6 21 21 A K H X S+ 0 0 74 -4,-1.6 4,-1.1 -5,-0.2 5,-0.4 0.958 118.8 33.4 -61.9 -51.6 18.7 58.9 79.1 22 22 A E H < S+ 0 0 130 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.922 121.0 48.1 -71.7 -45.2 20.9 55.9 79.6 23 23 A T H < S+ 0 0 63 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.816 129.6 21.5 -67.1 -34.3 22.1 55.5 76.0 24 24 A Y H < S- 0 0 65 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.452 91.9-134.2-113.8 -2.9 22.9 59.1 75.4 25 25 A R < + 0 0 222 -4,-1.1 2,-0.3 -5,-0.3 -4,-0.2 0.928 60.8 147.2 47.8 45.2 23.4 60.2 79.0 26 26 A A - 0 0 5 -6,-0.8 2,-0.5 -5,-0.4 -24,-0.2 -0.770 59.9-111.0-114.8 157.7 21.3 63.1 77.9 27 27 A E E -a 2 0A 77 -26,-3.3 -24,-2.3 -2,-0.3 2,-0.6 -0.754 38.6-144.3 -83.7 126.3 18.7 65.3 79.5 28 28 A V E -a 3 0A 0 -2,-0.5 26,-2.2 24,-0.3 27,-1.0 -0.864 12.9-164.4-105.7 121.5 15.3 64.4 77.9 29 29 A I E -ac 4 55A 0 -26,-2.4 -24,-2.2 -2,-0.6 2,-0.2 -0.888 17.7-146.8-101.2 111.7 12.7 67.1 77.2 30 30 A A E -ac 5 56A 1 25,-2.6 27,-2.9 -2,-0.7 2,-0.4 -0.562 12.3-167.5 -82.7 141.0 9.3 65.4 76.5 31 31 A F E +ac 6 57A 3 -26,-2.3 -24,-2.6 -2,-0.2 2,-0.4 -0.994 6.4 179.4-130.7 126.4 6.8 67.0 74.1 32 32 A T E - c 0 58A 4 25,-2.4 27,-1.7 -2,-0.4 2,-0.4 -0.993 11.4-157.3-127.0 130.3 3.2 65.9 73.9 33 33 A A E - c 0 59A 11 -2,-0.4 2,-0.8 25,-0.2 27,-0.2 -0.870 13.4-139.3-111.6 143.8 0.8 67.5 71.5 34 34 A D E + c 0 60A 28 25,-2.9 27,-2.1 -2,-0.4 28,-0.3 -0.886 38.0 152.1 -99.6 106.4 -3.0 67.5 71.7 35 35 A I S S- 0 0 10 -2,-0.8 139,-3.0 137,-0.2 140,-0.3 0.007 79.7 -75.3-120.7 22.9 -4.2 67.0 68.1 36 36 A G S S+ 0 0 23 137,-0.3 137,-0.1 3,-0.1 -2,-0.1 0.720 82.9 141.6 92.1 24.0 -7.5 65.4 69.0 37 37 A Q - 0 0 45 2,-0.1 136,-0.1 136,-0.1 3,-0.1 0.663 67.3-120.7 -69.3 -17.4 -6.4 61.9 70.1 38 38 A G S S+ 0 0 75 1,-0.3 2,-0.3 134,-0.0 -1,-0.1 0.737 73.5 116.1 84.4 22.6 -8.9 62.1 72.8 39 39 A E S S- 0 0 126 0, 0.0 2,-1.2 0, 0.0 -1,-0.3 -0.810 76.7-101.8-119.1 160.9 -6.5 61.6 75.7 40 40 A E >> - 0 0 101 -2,-0.3 3,-1.4 1,-0.2 4,-1.0 -0.711 29.7-165.9 -85.6 100.8 -5.5 64.0 78.5 41 41 A V H >> S+ 0 0 7 -2,-1.2 4,-2.6 1,-0.3 3,-0.7 0.851 85.5 63.6 -54.9 -34.2 -2.2 65.4 77.3 42 42 A E H 3> S+ 0 0 78 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.835 99.0 53.5 -60.4 -31.4 -1.6 66.7 80.8 43 43 A E H <> S+ 0 0 129 -3,-1.4 4,-1.7 2,-0.2 -1,-0.3 0.773 109.1 49.3 -73.8 -24.3 -1.5 63.1 82.2 44 44 A A H S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 4,-0.9 0.909 107.4 46.7 -61.0 -42.2 7.0 61.9 81.4 49 49 A L H ><5S+ 0 0 78 -4,-1.1 3,-0.7 3,-0.2 -1,-0.2 0.919 113.4 48.7 -65.5 -41.7 8.3 63.7 84.5 50 50 A R H 3<5S+ 0 0 171 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.875 110.3 53.1 -63.0 -38.0 7.6 60.5 86.5 51 51 A T H 3<5S- 0 0 12 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.650 131.6 -88.1 -74.2 -16.4 9.5 58.5 83.8 52 52 A G T <<5 + 0 0 20 -4,-0.9 -24,-0.3 -3,-0.7 -3,-0.2 0.463 69.0 152.1 126.9 -0.2 12.5 60.8 84.0 53 53 A A < - 0 0 10 -5,-2.8 -1,-0.2 1,-0.2 -24,-0.2 -0.318 41.9-142.9 -63.1 145.2 12.2 63.8 81.7 54 54 A S S S+ 0 0 57 -26,-2.2 2,-0.3 1,-0.3 -25,-0.2 0.603 89.1 3.5 -81.3 -12.5 14.1 66.9 82.7 55 55 A K E -c 29 0A 85 -27,-1.0 -25,-2.6 -7,-0.1 2,-0.4 -0.933 66.9-152.9-168.7 145.8 11.1 68.8 81.4 56 56 A A E -c 30 0A 8 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.997 9.6-168.9-132.3 130.6 7.7 68.0 79.9 57 57 A I E -c 31 0A 25 -27,-2.9 -25,-2.4 -2,-0.4 2,-0.4 -0.942 4.6-178.8-119.8 141.7 5.8 70.2 77.5 58 58 A A E -c 32 0A 23 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.986 6.8-177.8-141.8 125.9 2.2 69.7 76.4 59 59 A L E -c 33 0A 58 -27,-1.7 -25,-2.9 -2,-0.4 2,-0.9 -0.959 30.9-127.4-130.1 145.9 0.4 72.0 73.9 60 60 A D E +c 34 0A 106 -2,-0.4 4,-0.2 -27,-0.2 3,-0.2 -0.811 37.9 163.9 -88.1 106.9 -3.1 72.2 72.5 61 61 A L > + 0 0 10 -27,-2.1 4,-2.3 -2,-0.9 -1,-0.1 0.097 36.1 110.3-114.0 22.5 -2.4 72.2 68.8 62 62 A K H > S+ 0 0 64 -28,-0.3 4,-2.2 2,-0.2 5,-0.2 0.898 81.0 45.6 -64.2 -42.8 -5.9 71.3 67.5 63 63 A E H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.936 115.0 45.7 -67.5 -48.0 -6.6 74.7 65.9 64 64 A E H > S+ 0 0 33 -4,-0.2 4,-2.8 1,-0.2 5,-0.3 0.899 112.0 55.9 -61.6 -39.1 -3.1 75.1 64.3 65 65 A F H X>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 4,-1.2 0.950 115.1 33.9 -56.8 -56.5 -3.6 71.5 63.1 66 66 A V H <>S+ 0 0 0 -4,-2.2 5,-3.1 3,-0.2 -2,-0.2 0.924 124.4 44.1 -68.5 -44.8 -6.9 72.0 61.2 67 67 A R H <5S+ 0 0 108 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.910 124.5 29.1 -68.5 -46.4 -6.1 75.6 60.1 68 68 A D H <5S+ 0 0 69 -4,-2.8 -1,-0.2 -5,-0.3 -3,-0.2 0.495 136.6 15.5 -97.3 -4.2 -2.5 75.2 58.9 69 69 A F T X5S+ 0 0 2 -4,-1.2 4,-1.4 -5,-0.3 -3,-0.2 0.624 124.4 41.5-131.3 -55.4 -2.4 71.6 57.8 70 70 A V H > S+ 0 0 10 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.873 114.0 49.7 -61.7 -35.0 -4.7 73.7 53.1 73 73 A M H <>S+ 0 0 5 -4,-1.4 5,-1.5 1,-0.2 3,-0.4 0.875 109.9 49.2 -70.3 -39.3 -4.7 69.9 52.2 74 74 A M H ><5S+ 0 0 21 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.864 101.1 62.9 -68.8 -36.1 -8.4 69.8 51.8 75 75 A R H 3<5S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.833 102.1 54.3 -55.8 -31.1 -8.3 72.9 49.5 76 76 A A T 3<5S- 0 0 0 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.525 109.4-125.5 -80.8 -8.5 -6.2 70.7 47.2 77 77 A G T < 5 - 0 0 11 -3,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.815 41.8-171.3 65.9 30.6 -8.8 67.9 47.1 78 78 A A < + 0 0 6 -5,-1.5 2,-0.4 7,-0.1 -1,-0.2 -0.367 18.1 161.3 -64.7 120.8 -6.1 65.5 48.3 79 79 A V > - 0 0 26 -2,-0.2 3,-0.6 -3,-0.1 2,-0.4 -0.969 30.2-139.1-140.9 120.1 -7.0 61.8 48.3 80 80 A Y B >> S-E 84 0B 3 4,-3.0 4,-1.9 -2,-0.4 3,-1.7 -0.699 79.2 -17.7 -86.2 130.8 -4.3 59.1 48.3 81 81 A E T 34 S- 0 0 19 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.834 122.5 -59.5 42.3 48.7 -4.9 56.1 46.1 82 82 A G T <4 S+ 0 0 32 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.189 133.4 30.2 75.6 -16.8 -8.6 56.8 45.6 83 83 A Y T <4 S+ 0 0 49 -3,-1.7 2,-0.5 1,-0.1 -2,-0.2 0.628 79.0 103.2-141.3 -34.8 -9.7 56.7 49.3 84 84 A Y B < -E 80 0B 6 -4,-1.9 -4,-3.0 1,-0.2 -2,-0.1 -0.444 43.5-165.5 -67.3 114.1 -7.2 57.7 52.0 85 85 A L - 0 0 27 -2,-0.5 -1,-0.2 -6,-0.2 -7,-0.1 0.294 40.7-119.8 -81.2 9.6 -8.0 61.1 53.3 86 86 A L > + 0 0 0 -6,-0.1 4,-1.9 3,-0.1 5,-0.3 0.759 51.6 161.8 60.5 35.2 -4.5 61.2 54.9 87 87 A G T 4 S+ 0 0 0 1,-0.2 4,-0.3 2,-0.2 88,-0.2 0.875 79.3 31.8 -51.8 -47.8 -5.5 61.6 58.6 88 88 A T T >> S+ 0 0 6 1,-0.1 4,-1.5 2,-0.1 3,-0.8 0.873 112.8 65.5 -78.7 -37.9 -2.2 60.5 60.0 89 89 A S T 34 S+ 0 0 0 1,-0.2 3,-0.2 2,-0.2 -2,-0.2 0.886 103.5 41.4 -51.5 -52.9 -0.1 61.9 57.1 90 90 A I T 3< S+ 0 0 0 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.591 109.6 61.7 -75.4 -10.6 -0.8 65.7 57.6 91 91 A A T X> S+ 0 0 0 -3,-0.8 4,-1.4 -4,-0.3 3,-0.6 0.863 91.3 64.6 -81.6 -37.9 -0.5 65.4 61.4 92 92 A R H 3X S+ 0 0 41 -4,-1.5 4,-2.2 1,-0.2 5,-0.3 0.858 95.0 56.6 -55.2 -42.9 3.1 64.3 61.5 93 93 A P H 3> S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.867 105.4 53.6 -59.1 -36.3 4.7 67.5 60.0 94 94 A L H <> S+ 0 0 0 -3,-0.6 4,-1.7 -4,-0.5 -2,-0.2 0.908 108.3 48.4 -66.2 -43.1 3.1 69.5 62.7 95 95 A I H X S+ 0 0 17 -4,-1.4 4,-1.9 1,-0.2 3,-0.4 0.973 114.4 45.2 -61.0 -54.3 4.5 67.4 65.5 96 96 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.866 106.3 61.2 -57.5 -38.9 8.0 67.5 64.0 97 97 A K H X S+ 0 0 70 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.923 108.9 43.0 -54.9 -44.4 7.7 71.3 63.4 98 98 A H H X S+ 0 0 14 -4,-1.7 4,-3.0 -3,-0.4 5,-0.3 0.833 107.5 58.8 -72.7 -32.1 7.3 71.7 67.2 99 99 A L H X S+ 0 0 2 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.954 109.6 44.5 -61.0 -47.5 10.1 69.3 68.1 100 100 A V H X S+ 0 0 4 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.879 114.2 49.4 -63.7 -39.4 12.6 71.4 66.1 101 101 A R H X S+ 0 0 73 -4,-1.6 4,-2.0 -5,-0.3 -2,-0.2 0.954 114.0 44.3 -65.3 -50.1 11.2 74.7 67.5 102 102 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.923 111.0 54.9 -60.7 -43.5 11.4 73.4 71.1 103 103 A A H X>S+ 0 0 2 -4,-2.8 5,-2.7 -5,-0.3 4,-0.7 0.881 107.8 51.1 -56.5 -37.9 14.8 72.0 70.4 104 104 A E H <5S+ 0 0 109 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.892 113.1 44.4 -65.4 -42.2 15.8 75.5 69.3 105 105 A E H <5S+ 0 0 119 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.828 116.3 44.5 -72.2 -36.3 14.5 77.1 72.5 106 106 A E H <5S- 0 0 34 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.472 110.1-116.0 -88.9 -5.4 15.9 74.5 74.9 107 107 A G T <5 + 0 0 61 -4,-0.7 2,-0.4 -5,-0.3 -105,-0.3 0.884 58.7 160.2 71.9 36.1 19.3 74.4 73.3 108 108 A A < - 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0 0 82 -2,-0.5 -1,-0.1 24,-0.1 36,-0.1 0.704 49.3-115.2 -95.3 -23.8 35.8 48.6 31.6 1158 9 D G S S+ 0 0 14 1,-0.3 -2,-0.1 35,-0.1 23,-0.0 0.354 72.0 120.7 107.5 -4.6 39.6 48.1 31.6 1159 10 D G S > S- 0 0 32 1,-0.1 4,-1.0 4,-0.0 -1,-0.3 -0.074 79.2 -88.1 -83.3-173.5 40.7 51.3 33.2 1160 11 D L H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.931 121.7 48.7 -60.9 -49.5 42.8 52.0 36.4 1161 12 D D H > S+ 0 0 46 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.936 112.0 44.5 -60.6 -51.9 39.8 52.0 38.7 1162 13 D T H > S+ 0 0 13 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.716 114.7 53.2 -67.9 -17.1 38.1 48.8 37.6 1163 14 D S H X S+ 0 0 0 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.921 109.7 45.3 -79.2 -47.6 41.5 47.2 37.6 1164 15 D I H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.922 114.3 51.9 -57.4 -42.8 42.2 48.4 41.2 1165 16 D I H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.833 103.7 56.2 -63.1 -35.2 38.7 47.1 42.0 1166 17 D L H X S+ 0 0 0 -4,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.933 112.9 41.0 -64.4 -43.6 39.4 43.8 40.4 1167 18 D K H >X S+ 0 0 40 -4,-2.0 4,-2.4 1,-0.2 3,-0.5 0.936 112.8 55.3 -65.9 -48.4 42.4 43.3 42.8 1168 19 D W H 3X S+ 0 0 25 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.881 105.2 52.6 -52.2 -44.2 40.4 44.8 45.7 1169 20 D L H 3X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 6,-0.6 0.837 109.5 49.1 -63.5 -35.2 37.6 42.2 45.2 1170 21 D K H > - 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0 0 8 -5,-3.2 -1,-0.3 -6,-0.2 -24,-0.2 -0.317 39.5-146.7 -60.9 140.1 40.4 37.6 36.7 1203 54 D S S S+ 0 0 60 -26,-1.0 2,-0.3 1,-0.3 -25,-0.2 0.670 87.5 8.5 -80.9 -16.8 39.6 33.9 36.6 1204 55 D K E -m 1178 0M 85 -27,-0.8 -25,-2.4 -7,-0.1 2,-0.4 -0.883 68.1-161.6-164.2 129.0 37.6 34.4 33.5 1205 56 D A E -m 1179 0M 9 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.945 7.2-169.3-118.5 137.2 37.1 37.4 31.2 1206 57 D I E -m 1180 0M 26 -27,-2.4 -25,-2.5 -2,-0.4 2,-0.4 -0.966 3.1-172.3-125.7 141.5 34.3 37.9 28.8 1207 58 D A E -m 1181 0M 23 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -1.000 7.4-176.1-134.7 131.5 33.9 40.5 26.1 1208 59 D L E -m 1182 0M 53 -27,-1.6 -25,-2.9 -2,-0.4 2,-0.9 -0.986 28.4-129.0-133.2 142.1 30.8 41.0 24.0 1209 60 D D E +m 1183 0M 110 -2,-0.4 4,-0.2 -27,-0.2 3,-0.1 -0.785 37.7 162.9 -86.1 105.8 29.9 43.2 21.1 1210 61 D L > + 0 0 12 -27,-2.3 4,-3.0 -2,-0.9 5,-0.2 0.280 34.5 110.7-112.4 13.5 26.7 44.9 22.3 1211 62 D K H > S+ 0 0 54 -28,-0.4 4,-2.2 1,-0.2 5,-0.2 0.903 82.5 46.2 -52.7 -48.5 26.3 47.9 20.0 1212 63 D E H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.904 114.7 46.1 -63.5 -43.9 23.3 46.5 18.1 1213 64 D E H > S+ 0 0 28 -4,-0.2 4,-2.5 2,-0.2 5,-0.4 0.908 110.5 56.4 -64.9 -40.6 21.5 45.4 21.3 1214 65 D F H X>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 4,-1.0 0.946 116.8 32.2 -55.0 -53.5 22.3 48.8 22.8 1215 66 D V H <>S+ 0 0 0 -4,-2.2 5,-2.7 3,-0.2 -2,-0.2 0.910 123.0 46.7 -73.7 -42.7 20.7 50.8 20.0 1216 67 D R H <5S+ 0 0 112 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.933 124.6 26.1 -66.8 -50.3 17.9 48.4 19.1 1217 68 D D H <5S+ 0 0 68 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.2 0.461 136.7 17.7 -98.5 0.1 16.6 47.5 22.6 1218 69 D F T X5S+ 0 0 2 -4,-1.0 4,-1.8 -5,-0.4 -3,-0.2 0.604 122.5 41.7-132.2 -59.4 17.5 50.6 24.6 1219 70 D V H > S+ 0 0 12 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.929 115.4 48.3 -57.4 -40.0 12.6 52.4 22.6 1222 73 D M H <>S+ 0 0 4 -4,-1.8 5,-1.4 1,-0.2 3,-0.5 0.868 109.8 50.6 -66.0 -39.7 13.7 55.5 24.6 1223 74 D M H ><5S+ 0 0 19 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.876 99.5 64.6 -68.4 -37.0 13.9 57.7 21.5 1224 75 D R H 3<5S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.822 101.3 52.8 -53.7 -32.0 10.3 56.7 20.5 1225 76 D A T 3<5S- 0 0 0 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.619 111.1-122.8 -80.6 -12.6 9.2 58.4 23.7 1226 77 D G T < 5 - 0 0 9 -3,-1.9 2,-0.2 -4,-0.4 -3,-0.2 0.833 41.7-168.0 72.8 32.9 10.9 61.6 22.9 1227 78 D A < + 0 0 7 -5,-1.4 2,-0.3 7,-0.1 -1,-0.2 -0.352 19.0 160.2 -62.9 122.0 12.8 61.3 26.2 1228 79 D V - 0 0 26 219,-0.2 3,-0.5 -2,-0.2 2,-0.5 -0.944 30.4-138.7-146.4 120.9 14.7 64.4 27.3 1229 80 D Y B >> S-O 1233 0N 4 4,-2.9 4,-2.2 -2,-0.3 3,-1.2 -0.689 76.9 -21.0 -87.2 127.1 15.9 65.1 30.8 1230 81 D E T 34 S- 0 0 22 -2,-0.5 2,-0.7 1,-0.3 -1,-0.2 0.872 120.7 -56.7 43.5 54.3 15.5 68.6 32.2 1231 82 D G T 34 S+ 0 0 34 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 -0.036 133.7 28.5 79.2 -33.7 15.3 70.3 28.8 1232 83 D Y T <4 S+ 0 0 52 -3,-1.2 2,-0.6 -2,-0.7 -2,-0.2 0.646 80.4 103.9-135.2 -20.9 18.6 69.2 27.2 1233 84 D Y B < -O 1229 0N 3 -4,-2.2 -4,-2.9 1,-0.1 -2,-0.1 -0.571 41.9-166.2 -79.6 118.5 20.0 65.8 28.3 1234 85 D L - 0 0 29 -2,-0.6 -1,-0.1 -6,-0.2 -7,-0.1 0.251 42.7-117.8 -83.5 12.8 19.5 63.0 25.8 1235 86 D L > + 0 0 0 -6,-0.1 4,-1.8 1,-0.1 5,-0.2 0.799 52.1 163.1 57.4 38.2 20.4 60.4 28.4 1236 87 D G T 4 S+ 0 0 0 1,-0.2 4,-0.3 2,-0.2 88,-0.2 0.883 79.0 30.5 -53.0 -45.7 23.5 59.0 26.7 1237 88 D T T >> S+ 0 0 8 2,-0.1 4,-1.4 1,-0.1 3,-1.0 0.867 111.6 66.2 -82.4 -38.7 24.8 57.3 29.8 1238 89 D S T 34 S+ 0 0 0 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.874 102.6 44.5 -50.5 -49.1 21.5 56.6 31.5 1239 90 D I T 3< S+ 0 0 0 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.615 107.2 61.1 -75.3 -13.8 20.2 54.1 28.9 1240 91 D A T X> S+ 0 0 0 -3,-1.0 4,-1.6 -4,-0.3 3,-0.7 0.894 92.6 62.8 -78.8 -42.1 23.5 52.2 28.6 1241 92 D R H 3X S+ 0 0 32 -4,-1.4 4,-2.7 1,-0.2 5,-0.3 0.872 96.4 56.5 -50.8 -47.8 23.8 51.1 32.3 1242 93 D P H 3> S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.862 106.4 52.5 -55.1 -36.8 20.6 48.9 32.2 1243 94 D L H <> S+ 0 0 0 -3,-0.7 4,-1.6 -4,-0.5 -2,-0.2 0.945 111.0 45.6 -63.2 -51.5 22.1 46.9 29.3 1244 95 D I H X S+ 0 0 20 -4,-1.6 4,-2.5 1,-0.2 3,-0.4 0.947 113.5 48.5 -58.0 -51.8 25.4 46.2 31.1 1245 96 D A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.3 5,-0.3 0.869 105.9 59.4 -57.8 -38.2 23.6 45.2 34.4 1246 97 D K H X S+ 0 0 61 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.3 0.899 110.4 42.0 -58.2 -41.2 21.4 43.0 32.3 1247 98 D H H X S+ 0 0 11 -4,-1.6 4,-3.1 -3,-0.4 5,-0.3 0.887 107.9 58.8 -75.2 -38.1 24.4 41.1 31.2 1248 99 D L H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.921 111.6 42.3 -54.9 -46.1 26.2 41.0 34.6 1249 100 D V H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.866 112.9 52.9 -69.6 -37.5 23.3 39.2 36.1 1250 101 D R H X S+ 0 0 81 -4,-1.4 4,-1.6 -5,-0.3 -2,-0.2 0.967 112.8 44.3 -60.5 -53.4 22.9 36.9 33.1 1251 102 D I H X S+ 0 0 0 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.896 110.7 54.9 -58.5 -43.8 26.5 35.9 33.3 1252 103 D A H X>S+ 0 0 0 -4,-2.3 5,-2.6 -5,-0.3 4,-1.1 0.901 107.9 48.5 -58.4 -42.8 26.3 35.5 37.1 1253 104 D E H <5S+ 0 0 118 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.827 115.2 47.5 -67.0 -29.1 23.4 33.1 36.7 1254 105 D E H <5S+ 0 0 116 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.887 116.3 40.5 -78.6 -39.9 25.5 31.3 34.1 1255 106 D E H <5S- 0 0 41 -4,-3.2 -2,-0.2 -5,-0.1 -1,-0.2 0.488 109.4-116.2 -87.0 -4.2 28.7 31.1 36.1 1256 107 D G T <5 + 0 0 60 -4,-1.1 2,-0.5 1,-0.2 -105,-0.2 0.897 59.8 159.8 69.2 37.5 27.0 30.3 39.4 1257 108 D A < - 0 0 1 -5,-2.6 -1,-0.2 -6,-0.2 -105,-0.1 -0.849 34.3-158.7 -97.2 124.2 28.2 33.6 40.8 1258 109 D E S S+ 0 0 95 -2,-0.5 28,-1.7 -107,-0.4 2,-0.3 0.696 71.9 38.1 -76.3 -17.0 26.3 34.9 43.8 1259 110 D A E -ln11521286M 0 -108,-1.4 -106,-2.4 26,-0.2 2,-0.3 -0.893 56.5-159.3-136.2 165.0 27.3 38.5 43.3 1260 111 D I E -ln11531287M 3 26,-1.9 28,-2.1 -2,-0.3 2,-0.3 -0.900 14.7-162.2-132.6 160.0 28.1 41.2 40.8 1261 112 D A E -ln11541288M 0 -108,-2.2 -106,-2.3 -2,-0.3 2,-0.3 -0.974 7.6-176.8-145.0 157.4 30.2 44.4 41.3 1262 113 D H - 0 0 3 26,-1.2 29,-0.4 -2,-0.3 -106,-0.1 -0.960 29.2-128.0-148.9 162.3 30.6 47.7 39.6 1263 114 D G + 0 0 24 -108,-0.3 2,-0.1 -2,-0.3 26,-0.1 0.090 58.4 130.0-105.3 24.9 32.8 50.8 40.0 1264 115 D A - 0 0 15 1,-0.1 27,-0.3 6,-0.1 -2,-0.1 -0.503 59.4-112.3 -74.5 148.3 30.2 53.6 40.0 1265 116 D T > - 0 0 58 -2,-0.1 3,-0.5 1,-0.1 6,-0.4 -0.198 15.2-114.9 -77.2 172.0 30.7 55.9 43.0 1266 117 D G T 3 S+ 0 0 5 1,-0.2 -137,-0.1 25,-0.2 -1,-0.1 0.601 112.2 56.9 -82.0 -9.9 28.4 56.4 46.0 1267 118 D K T 3 S+ 0 0 103 -138,-0.0 -1,-0.2 -143,-0.0 142,-0.2 0.517 97.4 76.2 -96.7 -10.1 27.7 60.0 44.9 1268 119 D G S < S- 0 0 10 -3,-0.5 4,-0.4 1,-0.1 -4,-0.0 -0.281 78.0-118.1-101.7-174.3 26.3 59.3 41.4 1269 120 D N S >> S+ 0 0 13 2,-0.1 4,-1.9 1,-0.1 3,-0.6 0.795 100.0 72.3 -87.2 -35.4 23.3 58.1 39.5 1270 121 D D H 3> S+ 0 0 37 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.840 90.4 58.2 -52.4 -40.6 25.0 55.1 37.9 1271 122 D Q H 3> S+ 0 0 0 -6,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.929 108.4 47.5 -56.2 -44.1 25.2 53.0 41.1 1272 123 D V H <> S+ 0 0 0 -3,-0.6 4,-2.8 -4,-0.4 5,-0.3 0.893 111.8 50.7 -63.8 -41.1 21.4 53.3 41.3 1273 124 D R H X S+ 0 0 8 -4,-1.9 4,-1.7 2,-0.2 5,-0.3 0.948 112.1 45.3 -63.9 -49.9 21.0 52.3 37.6 1274 125 D F H X S+ 0 0 14 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.949 119.7 41.3 -58.3 -49.4 23.2 49.2 37.9 1275 126 D E H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.3 5,-0.3 0.876 109.8 53.4 -70.9 -41.8 21.6 48.1 41.2 1276 127 D L H X S+ 0 0 2 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.907 115.8 42.7 -62.2 -38.2 17.9 48.8 40.5 1277 128 D T H X S+ 0 0 1 -4,-1.7 4,-2.0 -5,-0.3 5,-0.2 0.899 113.1 53.0 -75.5 -34.5 18.2 46.7 37.3 1278 129 D A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 7,-0.2 0.961 115.0 39.8 -61.1 -51.2 20.2 44.0 39.0 1279 130 D Y H < S+ 0 0 7 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.840 113.6 55.1 -67.0 -34.6 17.6 43.6 41.8 1280 131 D A H < S+ 0 0 16 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.866 116.1 37.3 -67.9 -35.0 14.7 43.9 39.4 1281 132 D L H < S+ 0 0 67 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.813 137.4 15.5 -86.0 -33.1 16.1 41.1 37.2 1282 133 D K >< - 0 0 28 -4,-2.4 3,-1.9 -5,-0.2 -1,-0.3 -0.712 66.0-172.7-145.0 88.1 17.4 38.9 40.0 1283 134 D P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -142,-0.1 0.736 85.5 53.3 -52.1 -31.6 16.0 39.8 43.5 1284 135 D D T 3 S+ 0 0 99 -143,-0.1 -5,-0.1 2,-0.1 -143,-0.0 0.539 83.5 115.9 -85.4 -6.9 18.3 37.4 45.3 1285 136 D I < - 0 0 2 -3,-1.9 2,-0.4 -7,-0.2 -26,-0.2 -0.253 59.8-136.4 -63.4 148.2 21.5 38.8 43.7 1286 137 D K E -n 1259 0M 85 -28,-1.7 -26,-1.9 -8,-0.0 2,-0.4 -0.865 14.7-151.6-106.9 142.3 24.1 40.4 45.9 1287 138 D V E -n 1260 0M 17 -2,-0.4 2,-0.5 -28,-0.2 -26,-0.2 -0.939 7.3-165.2-119.6 138.2 25.8 43.6 44.9 1288 139 D I E -n 1261 0M 8 -28,-2.1 -26,-1.2 -2,-0.4 3,-0.1 -0.984 6.0-178.9-122.3 123.7 29.2 44.9 45.8 1289 140 D A >> - 0 0 0 -2,-0.5 3,-2.7 -28,-0.2 4,-0.8 -0.810 8.3-167.1-123.6 87.1 30.1 48.5 45.2 1290 141 D P H >> S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 3,-0.8 0.788 83.9 66.1 -42.6 -39.1 33.8 48.9 46.3 1291 142 D W H 34 S+ 0 0 56 -29,-0.4 -25,-0.2 -27,-0.3 -26,-0.1 0.811 107.1 42.2 -58.0 -28.3 33.5 52.7 46.2 1292 143 D R H <4 S+ 0 0 7 -3,-2.7 -1,-0.3 -27,-0.1 -165,-0.1 0.628 122.1 40.0 -92.0 -13.4 31.0 52.5 49.0 1293 144 D E H << S+ 0 0 65 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.1 0.764 95.5 83.2-107.0 -28.9 33.0 49.9 51.0 1294 145 D W < - 0 0 30 -4,-3.0 -5,-0.0 -5,-0.1 -126,-0.0 -0.125 65.2-130.9 -80.7 175.1 36.7 50.7 50.8 1295 146 D S + 0 0 106 2,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.579 51.1 134.4-100.2 -14.3 39.1 52.9 52.7 1296 147 D F - 0 0 40 1,-0.2 3,-0.1 5,-0.1 4,-0.0 -0.095 32.9-168.5 -40.5 128.8 41.1 54.9 50.1 1297 148 D Q + 0 0 169 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.043 63.0 5.0-109.8 22.6 41.2 58.5 51.2 1298 149 D G S > S- 0 0 16 1,-0.1 4,-1.6 2,-0.0 -1,-0.2 -0.898 73.5 -97.4 169.1 160.8 42.6 59.8 47.9 1299 150 D R H > S+ 0 0 100 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 0.930 119.2 56.8 -56.9 -47.9 43.7 59.4 44.4 1300 151 D K H > S+ 0 0 158 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 103.6 51.6 -52.2 -48.2 47.3 59.1 45.6 1301 152 D E H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.884 110.6 50.3 -59.2 -39.2 46.5 56.1 47.9 1302 153 D M H X S+ 0 0 9 -4,-1.6 4,-1.7 -3,-0.3 -2,-0.2 0.908 108.2 49.4 -66.0 -45.6 44.9 54.3 45.0 1303 154 D I H X S+ 0 0 36 -4,-2.3 4,-2.0 2,-0.2 8,-0.2 0.934 112.8 49.7 -60.4 -44.5 47.7 54.8 42.5 1304 155 D A H X S+ 0 0 54 -4,-2.3 4,-3.1 1,-0.2 3,-0.3 0.955 109.3 50.6 -57.4 -51.5 50.1 53.5 45.2 1305 156 D Y H X S+ 0 0 39 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.795 107.2 56.1 -56.3 -31.1 47.8 50.5 45.9 1306 157 D A H <>S+ 0 0 0 -4,-1.7 5,-1.1 -3,-0.2 -1,-0.2 0.904 110.6 43.0 -68.5 -42.8 47.9 49.8 42.1 1307 158 D E H ><5S+ 0 0 118 -4,-2.0 3,-2.9 -3,-0.3 -2,-0.2 0.947 103.8 62.9 -68.4 -49.6 51.7 49.7 42.1 1308 159 D A H 3<5S+ 0 0 84 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.836 117.6 33.3 -43.4 -31.2 51.8 47.6 45.3 1309 160 D H T 3<5S- 0 0 51 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.3 0.363 120.2-114.0-106.4 1.4 49.9 45.1 43.0 1310 161 D G T < 5 + 0 0 59 -3,-2.9 -3,-0.3 1,-0.2 -2,-0.1 0.991 55.2 157.8 64.8 66.3 51.7 46.1 39.8 1311 162 D I < - 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