==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIVIRAL PROTEIN 05-MAY-99 1QCJ . COMPND 2 MOLECULE: POKEWEED ANTIVIRAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYTOLACCA AMERICANA; . AUTHOR I.V.KURINOV,D.E.MYERS,J.D.IRVIN,F.M.UCKUN . 524 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 40 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 1 1 0 0 4 7 0 1 0 0 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 5 2 0 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 V 0 0 86 0, 0.0 2,-0.3 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 138.3 10.8 23.4 21.5 2 2 A N - 0 0 91 47,-0.4 49,-3.2 24,-0.1 2,-0.4 -0.726 360.0-146.8-102.3 150.0 10.1 21.4 18.4 3 3 A T E -a 51 0A 65 -2,-0.3 2,-0.6 47,-0.2 49,-0.2 -0.941 4.4-146.4-119.3 135.8 6.7 20.9 16.7 4 4 A I E -a 52 0A 18 47,-2.5 49,-2.4 -2,-0.4 2,-0.5 -0.931 19.8-148.3 -98.2 120.3 5.6 17.7 14.9 5 5 A I E -a 53 0A 96 -2,-0.6 2,-0.5 47,-0.2 49,-0.2 -0.845 17.1-178.5 -96.8 127.7 3.3 18.7 12.1 6 6 A Y E -a 54 0A 7 47,-3.2 49,-3.1 -2,-0.5 2,-1.0 -0.988 22.0-143.2-128.0 122.6 0.5 16.2 11.1 7 7 A N E +a 55 0A 64 -2,-0.5 3,-0.2 47,-0.2 49,-0.2 -0.766 22.1 175.1 -83.6 102.3 -1.9 16.9 8.2 8 8 A V S S+ 0 0 2 47,-1.4 3,-0.3 -2,-1.0 48,-0.2 0.725 74.5 62.2 -80.8 -21.3 -5.1 15.4 9.5 9 9 A G S S+ 0 0 31 46,-1.8 2,-0.2 47,-0.3 -1,-0.2 0.691 117.0 23.2 -77.7 -18.7 -7.1 16.6 6.4 10 10 A S S S+ 0 0 75 45,-0.3 -1,-0.3 -3,-0.2 2,-0.2 -0.743 85.7 129.3-153.9 101.8 -5.1 14.5 4.0 11 11 A T - 0 0 35 -3,-0.3 2,-0.2 -2,-0.2 -3,-0.1 -0.838 36.6-149.9-144.5 176.5 -3.2 11.4 5.1 12 12 A T > - 0 0 60 -2,-0.2 4,-1.3 180,-0.0 3,-0.2 -0.765 44.8 -99.3-135.9 175.4 -2.4 7.7 4.6 13 13 A I H > S+ 0 0 85 -2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.786 122.3 57.7 -74.0 -27.2 -1.4 5.1 7.3 14 14 A S H > S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.761 106.1 49.4 -71.0 -28.8 2.3 5.5 6.5 15 15 A K H > S+ 0 0 104 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.835 110.6 50.0 -76.9 -35.7 2.0 9.2 7.2 16 16 A Y H X S+ 0 0 2 -4,-1.3 4,-2.4 2,-0.2 5,-0.3 0.943 111.2 49.5 -65.6 -45.0 0.3 8.4 10.5 17 17 A A H X S+ 0 0 26 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.871 111.9 47.9 -59.7 -42.8 3.1 6.0 11.3 18 18 A T H X S+ 0 0 76 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.906 109.2 55.0 -66.4 -40.4 5.7 8.5 10.5 19 19 A F H X S+ 0 0 7 -4,-2.5 4,-1.9 2,-0.2 3,-0.3 0.966 113.4 38.8 -56.5 -60.4 4.0 11.1 12.6 20 20 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.883 113.3 57.6 -58.5 -40.2 3.9 9.0 15.7 21 21 A N H X S+ 0 0 74 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.904 109.6 45.0 -57.2 -41.2 7.4 7.8 14.9 22 22 A D H X S+ 0 0 71 -4,-2.6 4,-1.2 -3,-0.3 -1,-0.2 0.798 112.9 50.1 -73.6 -32.1 8.6 11.5 14.9 23 23 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.774 113.7 45.5 -76.4 -28.1 6.7 12.3 18.1 24 24 A R H X S+ 0 0 19 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.899 112.0 50.7 -78.4 -45.4 8.2 9.3 19.9 25 25 A N H < S+ 0 0 78 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.835 118.1 40.5 -61.1 -30.6 11.7 10.0 18.6 26 26 A E H < S+ 0 0 44 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.871 118.5 44.8 -85.8 -41.7 11.3 13.6 19.8 27 27 A A H < S+ 0 0 0 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.932 96.2 87.1 -69.0 -50.4 9.6 12.8 23.1 28 28 A K S < S- 0 0 62 -4,-2.7 12,-0.2 12,-0.2 5,-0.1 0.133 87.9-102.4 -49.9 161.8 11.8 9.9 24.3 29 29 A D - 0 0 17 10,-2.3 10,-0.2 3,-0.3 -1,-0.1 -0.746 32.5-121.6 -85.4 138.2 15.0 10.3 26.2 30 30 A P S S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.639 103.2 8.4 -57.6 -11.3 17.9 9.9 23.9 31 31 A S S S+ 0 0 77 8,-0.1 2,-0.2 1,-0.0 -3,-0.0 0.599 93.7 109.3-140.9 -28.2 19.2 7.0 26.1 32 32 A L + 0 0 62 7,-0.2 7,-2.7 6,-0.1 -3,-0.3 -0.402 41.4 143.9 -62.9 125.0 16.7 6.0 28.8 33 33 A K E -F 38 0B 77 5,-0.3 2,-0.5 -2,-0.2 226,-0.2 -0.913 35.2-155.6-165.0 137.3 15.2 2.6 28.0 34 34 A a E > S-F 37 0B 1 3,-1.6 3,-1.0 -2,-0.3 227,-0.3 -0.980 83.7 -10.8-120.6 120.4 14.1 -0.6 29.9 35 35 A Y T 3 S- 0 0 12 225,-2.2 227,-0.3 -2,-0.5 226,-0.2 0.831 128.8 -54.8 61.8 36.3 14.0 -3.9 28.1 36 36 A G T 3 S+ 0 0 40 225,-2.3 -1,-0.2 1,-0.3 226,-0.1 0.560 111.4 117.8 78.6 7.3 14.6 -2.3 24.7 37 37 A I E < -F 34 0B 5 -3,-1.0 -3,-1.6 224,-0.2 -1,-0.3 -0.920 69.2-115.1-108.1 132.6 11.6 0.1 25.0 38 38 A P E -F 33 0B 35 0, 0.0 214,-2.5 0, 0.0 2,-0.3 -0.423 28.4-147.1 -68.6 140.2 12.3 3.8 25.0 39 39 A M B -g 252 0C 3 -7,-2.7 -10,-2.3 -10,-0.2 -7,-0.2 -0.835 16.8-112.4-109.6 144.4 11.5 5.7 28.2 40 40 A L - 0 0 0 212,-2.8 215,-0.2 -2,-0.3 29,-0.2 -0.153 47.7 -93.0 -63.3 167.3 10.3 9.3 28.5 41 41 A P - 0 0 2 0, 0.0 213,-0.2 0, 0.0 -1,-0.1 -0.490 33.9 -94.9 -92.4 164.8 12.8 11.7 30.1 42 42 A N > - 0 0 48 -2,-0.2 3,-2.6 1,-0.1 26,-0.1 -0.377 42.6-112.6 -63.3 142.4 13.4 12.9 33.6 43 43 A T T 3 S+ 0 0 52 1,-0.3 -1,-0.1 26,-0.1 26,-0.1 0.669 116.4 60.1 -52.4 -23.1 11.5 16.2 34.2 44 44 A N T 3 S+ 0 0 80 2,-0.1 -1,-0.3 25,-0.0 2,-0.2 0.595 83.5 104.6 -82.0 -13.1 14.8 18.1 34.5 45 45 A T S < S- 0 0 42 -3,-2.6 23,-0.1 3,-0.1 24,-0.1 -0.455 75.7 -98.5 -72.2 137.6 15.8 17.1 31.0 46 46 A N S S+ 0 0 118 -2,-0.2 2,-0.1 2,-0.1 -2,-0.1 -0.859 100.6 38.7-113.2 142.7 15.6 19.8 28.3 47 47 A P - 0 0 50 0, 0.0 -2,-0.1 0, 0.0 21,-0.0 0.607 68.9-170.4 -70.9 159.9 13.6 20.4 26.3 48 48 A K + 0 0 63 -2,-0.1 20,-2.9 20,-0.1 21,-0.5 0.635 64.3 42.0 -94.5 -10.7 10.7 19.7 28.6 49 49 A Y E - B 0 67A 16 18,-0.3 -47,-0.4 19,-0.1 2,-0.3 -0.687 55.2-161.8-131.7 174.6 8.0 19.9 25.9 50 50 A V E - B 0 66A 0 16,-1.7 16,-3.0 -2,-0.2 2,-0.3 -0.948 17.9-138.2-155.8 138.8 7.1 19.0 22.4 51 51 A L E -aB 3 65A 12 -49,-3.2 -47,-2.5 -2,-0.3 2,-0.4 -0.721 5.9-160.0-104.0 154.5 4.4 20.5 20.1 52 52 A V E -aB 4 64A 0 12,-2.0 12,-2.7 -2,-0.3 2,-0.7 -0.895 7.8-158.2-135.2 101.4 2.0 18.7 17.7 53 53 A E E -aB 5 63A 44 -49,-2.4 -47,-3.2 -2,-0.4 2,-0.7 -0.753 6.7-160.6 -86.0 116.6 0.5 20.8 15.0 54 54 A L E -aB 6 62A 0 8,-3.6 8,-2.0 -2,-0.7 2,-1.0 -0.877 2.2-160.6-101.8 108.3 -2.7 19.2 13.8 55 55 A Q E -aB 7 61A 61 -49,-3.1 -46,-1.8 -2,-0.7 -47,-1.4 -0.795 15.0-176.6 -94.1 97.2 -3.6 20.5 10.4 56 56 A G - 0 0 10 4,-2.5 3,-0.4 -2,-1.0 -47,-0.3 0.122 33.5 -76.2 -75.2-165.0 -7.3 19.8 9.7 57 57 A S S > S+ 0 0 42 89,-0.2 3,-1.1 1,-0.2 -1,-0.2 -0.470 109.3 35.7 -90.3 167.8 -9.3 20.6 6.6 58 58 A N T 3 S- 0 0 145 1,-0.2 -1,-0.2 -2,-0.2 3,-0.1 0.775 133.1 -67.0 58.6 30.7 -10.5 24.0 5.6 59 59 A K T 3 S+ 0 0 199 -3,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.845 93.9 147.7 60.7 34.9 -7.4 25.6 7.0 60 60 A K < + 0 0 57 -3,-1.1 -4,-2.5 18,-0.0 2,-0.3 -0.923 20.0 172.2-103.4 115.2 -8.4 24.6 10.5 61 61 A T E -B 55 0A 24 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.886 16.8-174.6-125.1 152.8 -5.3 23.9 12.7 62 62 A I E -B 54 0A 0 -8,-2.0 -8,-3.6 -2,-0.3 2,-0.5 -0.981 14.1-148.4-143.6 134.9 -4.8 23.2 16.4 63 63 A T E -BC 53 77A 22 14,-2.9 14,-2.3 -2,-0.3 2,-0.4 -0.945 9.9-150.8-110.6 131.9 -1.4 22.8 18.1 64 64 A L E -BC 52 76A 0 -12,-2.7 -12,-2.0 -2,-0.5 2,-0.6 -0.858 3.7-147.7-101.4 135.3 -1.1 20.5 21.1 65 65 A M E -BC 51 75A 0 10,-2.6 9,-3.2 -2,-0.4 10,-0.8 -0.906 20.2-172.1-104.7 118.2 1.5 21.1 23.8 66 66 A L E -BC 50 73A 0 -16,-3.0 -16,-1.7 -2,-0.6 2,-0.4 -0.891 23.1-131.0-114.7 140.9 2.9 17.9 25.4 67 67 A R E > -B 49 0A 38 5,-2.4 4,-1.4 -2,-0.4 3,-0.3 -0.722 15.9-146.9 -83.2 131.1 5.1 17.4 28.4 68 68 A R T 4 S+ 0 0 9 -20,-2.9 -19,-0.1 -2,-0.4 -1,-0.1 0.798 89.4 67.0 -69.5 -32.6 8.0 15.0 27.4 69 69 A N T 4 S+ 0 0 33 -21,-0.5 185,-1.3 -29,-0.2 -1,-0.2 0.829 128.6 1.2 -58.2 -37.1 8.3 13.4 30.9 70 70 A N T 4 S- 0 0 21 -3,-0.3 -1,-0.2 183,-0.2 -2,-0.2 0.291 94.1-119.5-135.6 7.5 4.8 11.7 30.7 71 71 A L < + 0 0 0 -4,-1.4 -3,-0.2 1,-0.2 2,-0.1 0.639 57.3 158.3 59.2 19.0 3.5 12.7 27.3 72 72 A Y - 0 0 92 -5,-0.3 -5,-2.4 -6,-0.1 2,-0.5 -0.451 46.8-119.0 -76.0 144.5 0.5 14.5 28.8 73 73 A V E -C 66 0A 7 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.730 28.3-176.8 -81.0 126.2 -1.3 17.2 26.8 74 74 A M E - 0 0 0 -9,-3.2 16,-2.7 -2,-0.5 2,-0.3 0.596 59.5 -52.1 -99.5 -17.6 -1.0 20.4 28.8 75 75 A G E -CD 65 89A 0 -10,-0.8 -10,-2.6 14,-0.2 -1,-0.4 -0.961 52.0-120.2 165.6-176.0 -3.1 22.5 26.5 76 76 A Y E -CD 64 88A 0 12,-2.0 12,-3.0 -2,-0.3 2,-0.3 -0.945 10.9-151.9-148.7 166.2 -3.6 23.5 22.9 77 77 A S E -CD 63 87A 6 -14,-2.3 -14,-2.9 -2,-0.3 10,-0.2 -0.942 7.4-167.7-137.8 161.3 -3.7 26.6 20.7 78 78 A D E - D 0 86A 1 8,-1.5 8,-2.4 -2,-0.3 2,-0.2 -0.996 36.3 -94.9-149.1 150.4 -5.4 27.6 17.5 79 79 A P E - D 0 85A 80 0, 0.0 2,-0.4 0, 0.0 6,-0.2 -0.510 51.4-170.9 -67.4 132.8 -5.1 30.4 15.0 80 80 A F E > - D 0 84A 14 4,-2.2 4,-0.9 -2,-0.2 75,-0.1 -0.988 39.5 -39.5-131.9 144.0 -7.7 32.9 16.0 81 81 A E T 4 S- 0 0 139 -2,-0.4 74,-0.0 73,-0.3 0, 0.0 -0.116 111.3 -25.2 43.2-124.3 -9.0 36.1 14.4 82 82 A T T 4 S- 0 0 113 1,-0.1 -2,-0.1 -3,-0.0 29,-0.0 0.799 131.5 -14.8 -81.6-104.0 -6.2 38.1 12.7 83 83 A N T 4 S+ 0 0 94 -4,-0.1 -2,-0.1 2,-0.0 28,-0.1 0.284 103.2 132.4 -84.4 12.8 -2.6 37.6 14.0 84 84 A K E < -D 80 0A 69 -4,-0.9 -4,-2.2 28,-0.1 2,-0.5 -0.277 43.4-162.9 -73.6 148.8 -4.0 35.9 17.2 85 85 A b E -De 79 112A 26 26,-1.5 28,-3.0 -6,-0.2 2,-0.7 -0.987 13.8-155.5-127.9 109.3 -2.8 32.7 18.8 86 86 A R E -De 78 113A 6 -8,-2.4 -8,-1.5 -2,-0.5 2,-0.4 -0.842 10.3-165.1 -93.9 112.4 -5.4 31.4 21.3 87 87 A Y E -De 77 114A 25 26,-2.7 28,-2.7 -2,-0.7 2,-0.5 -0.804 6.2-165.3 -98.9 143.5 -3.9 29.2 24.0 88 88 A H E -D 76 0A 0 -12,-3.0 -12,-2.0 -2,-0.4 2,-0.4 -0.985 7.3-162.6-130.0 112.8 -6.0 27.0 26.2 89 89 A I E -D 75 0A 5 -2,-0.5 28,-2.5 -14,-0.2 -14,-0.2 -0.820 24.9-113.6 -99.3 138.8 -4.2 25.6 29.2 90 90 A F > - 0 0 0 -16,-2.7 3,-1.1 -2,-0.4 30,-0.2 -0.345 23.7-123.9 -63.3 149.4 -5.7 22.6 31.1 91 91 A N T 3 S+ 0 0 67 28,-2.1 29,-0.2 26,-0.4 -1,-0.1 0.631 108.1 66.6 -73.9 -10.9 -6.9 23.5 34.6 92 92 A D T 3 S+ 0 0 66 27,-0.4 2,-0.4 -18,-0.1 -1,-0.2 0.151 79.3 100.3 -93.0 15.6 -4.6 20.9 36.1 93 93 A I < - 0 0 5 -3,-1.1 2,-0.3 -19,-0.1 -4,-0.0 -0.853 56.7-176.3-101.2 136.9 -1.5 22.8 35.0 94 94 A S > - 0 0 26 -2,-0.4 3,-1.1 212,-0.0 5,-0.1 -0.970 32.3 -12.1-140.1 156.7 0.1 24.8 37.7 95 95 A G T > S- 0 0 56 -2,-0.3 3,-1.3 1,-0.2 4,-0.5 -0.340 122.1 -4.4 64.7-137.9 2.8 27.3 38.5 96 96 A T T >> S+ 0 0 105 1,-0.3 4,-2.2 2,-0.2 3,-1.3 0.797 125.4 70.9 -60.3 -31.7 5.5 28.0 36.0 97 97 A E H <> S+ 0 0 41 -3,-1.1 4,-1.5 1,-0.3 -1,-0.3 0.803 92.5 56.9 -57.0 -31.5 4.1 25.3 33.7 98 98 A R H <> S+ 0 0 69 -3,-1.3 4,-1.0 2,-0.2 -1,-0.3 0.724 108.9 45.0 -71.7 -25.1 1.1 27.6 33.0 99 99 A Q H <> S+ 0 0 123 -3,-1.3 4,-2.7 -4,-0.5 5,-0.3 0.780 110.9 56.4 -84.0 -31.7 3.5 30.3 31.8 100 100 A D H X S+ 0 0 40 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.802 105.8 49.0 -69.1 -31.3 5.3 27.6 29.8 101 101 A V H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 5,-0.4 0.906 114.2 46.2 -73.9 -42.1 2.1 26.6 28.0 102 102 A E H X S+ 0 0 49 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.931 120.7 36.5 -63.8 -48.9 1.3 30.2 27.1 103 103 A T H < S+ 0 0 47 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.806 118.6 48.9 -78.4 -30.7 4.8 31.1 25.9 104 104 A T H < S+ 0 0 24 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.861 118.8 38.5 -77.4 -36.1 5.6 27.8 24.3 105 105 A L H < S+ 0 0 14 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.950 131.0 27.2 -77.2 -50.8 2.3 27.6 22.4 106 106 A b < + 0 0 1 -4,-2.0 -1,-0.2 -5,-0.4 6,-0.1 -0.718 66.6 174.5-116.0 81.5 2.1 31.3 21.5 107 107 A P + 0 0 103 0, 0.0 2,-1.3 0, 0.0 -1,-0.2 0.822 64.1 82.4 -54.5 -37.4 5.7 32.8 21.4 108 108 A N >> - 0 0 88 1,-0.2 3,-0.6 3,-0.1 4,-0.5 -0.607 61.2-173.5 -75.6 97.6 4.4 36.1 20.1 109 109 A A T 34 S+ 0 0 64 -2,-1.3 3,-0.3 1,-0.2 -1,-0.2 0.743 79.0 63.7 -60.8 -28.0 3.4 37.8 23.4 110 110 A N T 34 S+ 0 0 150 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.882 113.1 27.6 -66.9 -40.5 1.9 40.7 21.4 111 111 A S T <4 S+ 0 0 11 -3,-0.6 -26,-1.5 -28,-0.1 2,-0.3 0.204 92.0 112.8-111.8 15.4 -0.8 38.7 19.6 112 112 A R E < -e 85 0A 54 -4,-0.5 2,-0.3 -3,-0.3 -26,-0.2 -0.700 41.9-169.1 -94.3 141.5 -1.6 35.8 21.9 113 113 A V E -e 86 0A 53 -28,-3.0 -26,-2.7 -2,-0.3 2,-0.4 -0.911 16.0-123.2-125.3 155.1 -4.9 35.4 23.6 114 114 A S E +e 87 0A 56 -2,-0.3 2,-0.2 -28,-0.2 -26,-0.2 -0.825 27.6 166.1-105.1 139.5 -6.2 33.2 26.4 115 115 A K - 0 0 64 -28,-2.7 -2,-0.0 -2,-0.4 -29,-0.0 -0.726 31.0-145.8-148.8 85.6 -9.0 30.7 26.5 116 116 A N - 0 0 69 -2,-0.2 2,-1.0 -28,-0.2 -26,-0.2 -0.182 13.8-126.2 -53.6 141.5 -8.7 28.4 29.5 117 117 A I - 0 0 1 -28,-2.5 2,-1.3 1,-0.1 -26,-0.4 -0.831 25.6-150.5 -90.4 103.8 -9.7 24.8 29.5 118 118 A N + 0 0 104 -2,-1.0 2,-0.3 -28,-0.1 -1,-0.1 -0.059 69.0 45.1 -72.5 38.5 -12.0 25.0 32.6 119 119 A F S S- 0 0 5 -2,-1.3 -28,-2.1 401,-0.0 -27,-0.4 -0.963 87.0 -93.1-167.1 165.3 -11.5 21.4 33.6 120 120 A D - 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0 0 41 -3,-1.7 -1,-0.2 1,-0.1 3,-0.1 -0.750 51.3-151.1 -88.4 115.4 -14.5 29.5 16.6 156 156 A M S S+ 0 0 124 -2,-0.7 2,-0.4 1,-0.2 -1,-0.1 0.795 80.9 30.3 -51.2 -40.7 -14.9 32.0 19.3 157 157 A S + 0 0 98 -3,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.973 63.6 154.7-135.3 119.0 -17.4 29.9 21.3 158 158 A F - 0 0 29 -2,-0.4 -6,-0.1 -3,-0.1 -7,-0.0 -0.940 41.7-107.5-132.1 154.1 -17.6 26.2 21.5 159 159 A T > - 0 0 84 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.234 24.6-111.7 -82.5 169.5 -19.1 24.2 24.4 160 160 A E H > S+ 0 0 70 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.782 120.9 54.2 -68.4 -25.9 -17.2 22.1 27.0 161 161 A K H > S+ 0 0 108 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.940 109.6 45.1 -70.0 -50.1 -18.7 19.0 25.3 162 162 A T H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.902 117.7 46.2 -59.5 -41.1 -17.4 20.0 21.9 163 163 A E H X S+ 0 0 11 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.936 112.2 48.2 -68.2 -47.1 -14.1 20.8 23.6 164 164 A A H X S+ 0 0 0 -4,-3.0 4,-3.4 1,-0.2 5,-0.2 0.906 109.7 54.4 -60.5 -41.9 -14.0 17.6 25.6 165 165 A E H X S+ 0 0 52 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.898 109.4 46.6 -60.7 -43.3 -14.8 15.6 22.5 166 166 A F H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.2 5,-0.2 0.950 114.9 47.7 -62.4 -49.1 -11.9 17.1 20.6 167 167 A L H X S+ 0 0 0 -4,-2.6 4,-3.5 2,-0.2 5,-0.3 0.963 110.0 50.6 -55.1 -58.8 -9.6 16.5 23.6 168 168 A L H X S+ 0 0 0 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.924 116.2 42.6 -45.2 -52.7 -10.7 12.9 24.1 169 169 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.909 118.2 44.0 -63.9 -45.5 -10.2 12.1 20.4 170 170 A A H X S+ 0 0 1 -4,-3.0 4,-1.7 2,-0.2 5,-0.3 0.901 110.1 54.4 -68.4 -43.8 -6.8 14.0 20.1 171 171 A I H <>S+ 0 0 10 -4,-3.5 5,-2.4 -5,-0.2 4,-0.3 0.901 114.4 41.7 -57.9 -40.1 -5.3 12.7 23.3 172 172 A Q H <>S+ 0 0 0 -4,-1.7 5,-0.6 -5,-0.3 -1,-0.2 0.828 116.0 45.9 -79.8 -34.0 -5.9 9.1 22.2 173 173 A M H <5S+ 0 0 2 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.663 126.2 30.4 -84.8 -11.9 -4.9 9.4 18.6 174 174 A V T X5S+ 0 0 1 -4,-1.7 4,-2.0 -5,-0.2 -3,-0.2 0.760 132.3 15.5-106.6 -82.5 -1.7 11.4 19.6 175 175 A S H >5S+ 0 0 1 -5,-0.3 4,-2.8 -4,-0.3 5,-0.2 0.909 129.6 47.6 -65.5 -41.9 -0.2 10.6 23.0 176 176 A E H > S+ 0 0 70 67,-0.5 4,-2.6 -2,-0.5 5,-0.2 0.865 98.5 59.8 -61.0 -37.5 2.0 0.5 19.5 182 182 A Y H > S+ 0 0 33 66,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.881 104.7 48.0 -57.4 -44.5 -1.3 -1.4 20.0 183 183 A I H > S+ 0 0 3 65,-0.4 4,-1.5 -7,-0.3 -1,-0.2 0.838 110.0 52.0 -66.2 -35.5 -3.3 1.9 20.0 184 184 A E H X S+ 0 0 3 -4,-1.6 4,-2.2 -7,-0.5 3,-0.2 0.942 109.8 50.0 -64.9 -48.0 -1.5 3.1 16.8 185 185 A N H X S+ 0 0 72 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.788 105.7 56.6 -60.8 -33.1 -2.4 -0.2 15.1 186 186 A Q H X S+ 0 0 36 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.898 109.3 45.8 -65.7 -42.0 -6.0 0.2 16.1 187 187 A V H < S+ 0 0 1 -4,-1.5 6,-0.2 -3,-0.2 -2,-0.2 0.891 114.3 48.3 -67.3 -39.9 -6.2 3.6 14.4 188 188 A K H >< S+ 0 0 47 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.764 106.6 55.2 -73.0 -29.7 -4.4 2.3 11.3 189 189 A T H 3< S+ 0 0 98 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.764 121.6 31.9 -71.8 -27.0 -6.7 -0.8 11.0 190 190 A N T >< S+ 0 0 24 -4,-1.0 3,-1.9 -3,-0.2 -48,-0.3 -0.122 81.8 134.4-119.8 34.5 -9.6 1.6 11.0 191 191 A F T < S+ 0 0 10 -3,-0.9 -49,-0.6 1,-0.3 -48,-0.3 0.894 73.1 45.1 -52.7 -43.1 -7.8 4.4 9.2 192 192 A N T 3 S+ 0 0 135 -4,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.244 116.5 38.6 -91.6 16.8 -10.6 5.1 6.8 193 193 A R S < S- 0 0 136 -3,-1.9 -51,-0.3 -6,-0.2 2,-0.2 -0.944 84.1 -87.8-155.8 173.1 -13.5 5.0 9.3 194 194 A A + 0 0 33 -2,-0.3 2,-0.3 -53,-0.1 -53,-0.2 -0.593 44.7 178.3 -84.0 143.7 -14.9 5.7 12.8 195 195 A F B -H 140 0D 14 -55,-2.2 -55,-3.1 -2,-0.2 -5,-0.0 -0.993 29.2-120.7-149.5 147.7 -14.2 3.1 15.5 196 196 A N - 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0 0 40 -3,-1.8 -1,-0.3 1,-0.2 3,-0.1 -0.730 51.7-151.9 -87.5 123.1 24.5 10.1 63.5 419 156 B M S S+ 0 0 122 -2,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.869 80.2 32.7 -59.4 -43.0 26.9 11.3 60.8 420 157 B S + 0 0 98 -3,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.978 63.2 152.5-127.5 123.8 27.0 8.0 58.9 421 158 B F - 0 0 27 -2,-0.5 -6,-0.1 -3,-0.1 -7,-0.0 -0.969 41.6-110.5-141.3 147.3 24.2 5.5 58.5 422 159 B T > - 0 0 83 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.098 25.3-108.9 -76.6 173.7 23.7 3.1 55.6 423 160 B E H > S+ 0 0 71 2,-0.2 4,-3.2 3,-0.2 5,-0.2 0.836 121.3 52.9 -70.7 -28.9 21.0 3.2 52.9 424 161 B K H > S+ 0 0 105 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.959 110.0 46.1 -68.3 -50.6 19.6 0.0 54.5 425 162 B T H > S+ 0 0 29 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.926 118.3 44.0 -56.3 -46.4 19.4 1.6 57.9 426 163 B E H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.896 112.3 50.7 -67.7 -43.3 17.9 4.7 56.3 427 164 B A H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.825 108.3 53.8 -64.3 -34.5 15.5 2.8 54.1 428 165 B E H X S+ 0 0 47 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.900 109.2 47.4 -68.3 -40.3 14.2 0.8 57.1 429 166 B F H X S+ 0 0 0 -4,-1.7 4,-3.2 -5,-0.2 5,-0.3 0.942 114.2 48.0 -63.7 -46.7 13.5 4.0 59.0 430 167 B L H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.932 110.5 50.6 -57.5 -51.8 11.7 5.4 55.9 431 168 B L H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.943 116.5 41.4 -52.1 -49.8 9.7 2.2 55.4 432 169 B V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.934 119.2 43.5 -66.4 -47.7 8.5 2.2 59.0 433 170 B A H X S+ 0 0 1 -4,-3.2 4,-0.9 -5,-0.2 5,-0.5 0.808 109.6 56.0 -71.3 -31.1 7.9 5.9 59.3 434 171 B I H X>S+ 0 0 13 -4,-3.0 5,-2.1 -5,-0.3 4,-1.0 0.965 114.6 40.1 -65.1 -44.0 6.1 6.2 55.9 435 172 B Q H <>S+ 0 0 0 -4,-1.7 5,-0.9 -5,-0.3 -2,-0.2 0.866 114.7 48.4 -71.9 -43.1 3.6 3.6 57.0 436 173 B M H <5S+ 0 0 1 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.600 125.0 29.7 -78.5 -7.6 3.0 4.6 60.6 437 174 B V H X5S+ 0 0 1 -4,-0.9 4,-1.4 -3,-0.3 -3,-0.2 0.773 131.9 16.0-112.8 -75.7 2.5 8.2 59.6 438 175 B S H X5S+ 0 0 1 -4,-1.0 4,-2.8 -5,-0.5 5,-0.2 0.922 128.7 47.8 -74.0 -42.1 1.1 8.9 56.1 439 176 B E H > S+ 0 0 68 67,-0.6 4,-2.4 -2,-0.5 68,-0.2 0.891 99.0 59.0 -62.2 -38.1 -8.2 4.2 59.2 445 182 B Y H > S+ 0 0 29 66,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.905 104.6 48.0 -54.8 -49.5 -7.5 0.5 58.8 446 183 B I H > S+ 0 0 3 65,-0.4 4,-1.8 -7,-0.3 -1,-0.2 0.887 109.2 52.9 -63.0 -39.8 -3.7 1.0 59.0 447 184 B E H X S+ 0 0 2 -4,-1.7 4,-2.2 -7,-0.5 3,-0.3 0.957 109.5 50.3 -58.2 -50.3 -4.0 3.2 62.1 448 185 B N H X S+ 0 0 69 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.753 105.1 56.1 -59.6 -31.6 -6.1 0.5 63.7 449 186 B Q H X S+ 0 0 41 -4,-1.4 4,-1.4 -3,-0.2 -1,-0.2 0.900 109.7 46.8 -68.0 -40.2 -3.5 -2.2 62.9 450 187 B V H < S+ 0 0 1 -4,-1.8 6,-0.2 -3,-0.3 -2,-0.2 0.903 113.8 47.2 -67.0 -43.6 -0.8 -0.1 64.7 451 188 B K H >< S+ 0 0 52 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.796 108.2 55.2 -69.4 -30.6 -3.1 0.5 67.7 452 189 B T H 3< S+ 0 0 95 -4,-1.7 -1,-0.2 1,-0.3 3,-0.2 0.847 120.9 31.8 -69.3 -35.1 -4.0 -3.2 67.9 453 190 B N T >< S+ 0 0 25 -4,-1.4 3,-1.9 1,-0.2 -1,-0.3 -0.100 83.1 135.3-112.7 35.1 -0.3 -4.0 68.1 454 191 B F T < S+ 0 0 8 -3,-1.0 -49,-0.5 1,-0.3 -48,-0.3 0.819 72.4 43.4 -53.5 -40.1 0.7 -0.8 69.9 455 192 B N T 3 S+ 0 0 134 -3,-0.2 2,-0.3 -4,-0.2 -1,-0.3 0.190 117.3 42.2 -97.7 22.0 3.0 -2.5 72.4 456 193 B R S < S- 0 0 136 -3,-1.9 -51,-0.3 -6,-0.2 2,-0.2 -0.969 84.0 -90.3-157.6 168.9 4.7 -4.8 70.0 457 194 B A - 0 0 34 -2,-0.3 2,-0.3 -53,-0.1 -53,-0.2 -0.561 43.0-178.8 -82.2 144.4 6.2 -5.4 66.6 458 195 B F B -R 403 0I 14 -55,-2.5 -55,-3.0 -2,-0.2 -5,-0.0 -0.999 28.9-121.1-148.9 146.8 4.0 -6.6 63.7 459 196 B N - 0 0 88 -2,-0.3 2,-0.2 -57,-0.2 -57,-0.1 -0.730 39.0-112.8 -85.1 128.4 4.3 -7.5 60.1 460 197 B P - 0 0 4 0, 0.0 -59,-0.1 0, 0.0 -1,-0.1 -0.479 38.6-132.1 -63.2 127.6 2.2 -5.4 57.8 461 198 B N > - 0 0 29 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.188 25.2 -94.6 -75.5 171.5 -0.5 -7.8 56.4 462 199 B P H > S+ 0 0 62 0, 0.0 4,-1.9 0, 0.0 33,-0.2 0.800 123.3 52.4 -58.5 -25.3 -1.6 -8.1 52.8 463 200 B K H > S+ 0 0 24 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.912 106.3 49.2 -78.4 -42.7 -4.4 -5.6 53.3 464 201 B V H > S+ 0 0 3 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.926 117.2 44.3 -61.4 -41.6 -2.4 -2.8 54.8 465 202 B L H X S+ 0 0 13 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.874 113.3 48.1 -69.2 -43.5 0.1 -3.1 52.0 466 203 B N H X S+ 0 0 13 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.851 108.5 56.4 -65.5 -36.5 -2.5 -3.4 49.2 467 204 B L H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.852 107.8 48.0 -63.9 -34.1 -4.3 -0.4 50.7 468 205 B Q H >< S+ 0 0 13 -4,-1.2 3,-0.7 1,-0.2 4,-0.2 0.893 113.3 48.1 -71.9 -40.0 -1.1 1.6 50.3 469 206 B E H 3< S+ 0 0 76 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.555 117.3 40.2 -78.5 -10.5 -0.6 0.4 46.7 470 207 B T T 3X S+ 0 0 15 -4,-1.0 4,-3.1 -3,-0.2 5,-0.2 0.155 78.8 110.5-123.6 14.7 -4.1 1.2 45.6 471 208 B W H <> S+ 0 0 4 -3,-0.7 4,-2.2 2,-0.2 45,-0.5 0.872 81.1 47.2 -59.7 -41.0 -4.7 4.5 47.4 472 209 B G H > S+ 0 0 17 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.959 114.7 46.6 -64.8 -48.0 -4.7 6.5 44.2 473 210 B K H > S+ 0 0 93 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.928 112.7 50.1 -58.6 -49.0 -7.1 4.1 42.5 474 211 B I H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.916 111.6 47.4 -55.3 -49.5 -9.4 4.0 45.5 475 212 B S H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.859 114.7 46.2 -64.3 -36.5 -9.5 7.8 45.8 476 213 B T H X S+ 0 0 49 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.960 113.3 49.1 -69.2 -50.7 -10.2 8.2 42.0 477 214 B A H < S+ 0 0 15 -4,-3.2 4,-0.5 1,-0.2 -2,-0.2 0.886 114.5 45.6 -56.5 -44.1 -12.9 5.5 42.1 478 215 B I H >< S+ 0 0 0 -4,-2.7 3,-0.6 -5,-0.2 -1,-0.2 0.905 113.9 48.3 -66.7 -43.8 -14.5 7.1 45.1 479 216 B H H 3< S+ 0 0 6 -4,-2.1 44,-0.3 1,-0.2 -2,-0.2 0.888 116.6 43.6 -62.0 -40.8 -14.3 10.6 43.6 480 217 B D T 3< S+ 0 0 38 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.464 89.1 124.5 -85.9 -0.8 -15.8 9.2 40.3 481 218 B A < - 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