==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN SYNTHESIS INHIBITOR 19-OCT-92 1PAF . COMPND 2 MOLECULE: POKEWEED ANTIVIRAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYTOLACCA AMERICANA; . AUTHOR A.F.MONZINGO,E.J.COLLINS,S.R.ERNST,J.D.IRVIN,J.D.ROBERTUS . 524 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 13.5 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 . 33 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 1 0 1 1 3 2 1 0 0 1 2 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 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 0 PARALLEL BRIDGES PER LADDER . 4 2 0 2 2 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 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 73 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 137.6 26.3 15.6 14.2 2 2 A N E -a 50 0A 80 47,-0.6 49,-2.8 24,-0.1 2,-0.4 -0.683 360.0-144.4-110.4 151.1 24.6 15.4 10.9 3 3 A T E -a 51 0A 66 -2,-0.3 2,-0.5 47,-0.2 49,-0.2 -0.956 3.8-150.3-123.4 138.0 22.9 18.3 9.2 4 4 A I E -a 52 0A 22 47,-2.4 49,-2.8 -2,-0.4 2,-0.5 -0.954 15.4-147.1-102.7 125.2 19.7 18.0 7.2 5 5 A I E +a 53 0A 102 -2,-0.5 2,-0.4 47,-0.2 49,-0.2 -0.784 19.9 173.5 -97.3 129.5 19.3 20.5 4.3 6 6 A Y E -a 54 0A 11 47,-2.8 49,-2.5 -2,-0.5 2,-0.7 -0.961 24.8-141.0-136.0 131.4 16.0 21.9 3.2 7 7 A N E +a 55 0A 62 -2,-0.4 49,-0.2 47,-0.2 3,-0.1 -0.721 18.8 176.9 -87.2 112.2 15.2 24.6 0.7 8 8 A V S S+ 0 0 2 47,-2.4 48,-0.2 -2,-0.7 -1,-0.2 0.942 75.1 65.1 -74.0 -46.2 12.4 26.8 1.9 9 9 A G S S+ 0 0 27 46,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.632 114.8 24.8 -55.4 -25.0 12.6 29.2 -1.1 10 10 A S S S+ 0 0 87 45,-0.3 2,-0.2 -3,-0.1 -1,-0.2 -0.849 87.5 131.3-153.6 113.3 11.6 26.6 -3.6 11 11 A T - 0 0 36 -2,-0.3 2,-0.3 -3,-0.2 -3,-0.1 -0.907 36.8-151.0-152.8 166.8 9.6 23.5 -2.5 12 12 A T > - 0 0 69 -2,-0.2 4,-1.9 1,-0.1 3,-0.5 -0.911 47.4 -95.5-133.7 171.7 6.6 21.2 -3.1 13 13 A I H > S+ 0 0 87 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.913 123.8 51.5 -63.6 -37.0 4.7 19.2 -0.4 14 14 A S H > S+ 0 0 74 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.820 104.8 53.6 -65.2 -34.5 6.9 16.1 -1.1 15 15 A K H > S+ 0 0 132 -3,-0.5 4,-1.9 2,-0.2 -1,-0.3 0.896 111.5 47.4 -65.6 -44.0 10.0 17.9 -0.7 16 16 A Y H X S+ 0 0 2 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.922 112.6 49.8 -65.5 -47.9 8.6 19.0 2.8 17 17 A A H X S+ 0 0 26 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.856 109.7 49.9 -58.7 -38.3 7.5 15.5 3.7 18 18 A T H X S+ 0 0 81 -4,-2.2 4,-2.1 2,-0.2 3,-0.3 0.943 107.3 54.2 -67.8 -37.1 10.9 14.0 2.8 19 19 A F H >X S+ 0 0 6 -4,-1.9 4,-2.6 1,-0.3 3,-0.5 0.931 109.2 47.9 -58.0 -49.0 12.8 16.5 4.9 20 20 A L H 3X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.3 -1,-0.3 0.716 108.9 51.9 -60.4 -38.3 10.7 15.7 8.0 21 21 A N H 3X S+ 0 0 84 -4,-1.3 4,-2.2 -3,-0.3 -1,-0.3 0.813 109.4 51.4 -79.5 -24.8 11.1 12.0 7.6 22 22 A D H S-F 37 0B 0 3,-2.3 3,-2.7 -2,-0.3 227,-0.3 -0.995 83.6 -14.2-118.0 123.5 6.6 2.0 21.8 35 35 A Y T 3 S- 0 0 22 225,-2.9 227,-0.3 -2,-0.5 226,-0.2 0.823 129.8 -51.7 55.3 39.1 3.6 0.6 19.8 36 36 A G T 3 S+ 0 0 41 225,-3.3 -1,-0.3 1,-0.3 226,-0.1 0.486 112.9 124.1 79.8 -2.1 5.3 1.1 16.5 37 37 A I E < -F 34 0B 4 -3,-2.7 -3,-2.3 224,-0.2 -1,-0.3 -0.833 64.4-122.9 -93.5 122.4 6.1 4.7 17.4 38 38 A P E -F 33 0B 39 0, 0.0 214,-2.4 0, 0.0 2,-0.3 -0.270 27.2-149.7 -52.7 144.4 9.8 5.7 17.3 39 39 A M B -g 252 0C 7 -7,-1.4 -10,-2.9 -10,-0.3 214,-0.2 -0.873 13.8-113.0-123.0 147.3 11.1 7.1 20.5 40 40 A L - 0 0 0 212,-2.6 215,-0.2 -2,-0.3 29,-0.2 -0.280 41.7 -98.3 -79.0 161.0 13.8 9.7 21.0 41 41 A P - 0 0 2 0, 0.0 213,-0.2 0, 0.0 2,-0.2 -0.400 31.4 -98.3 -79.1 165.5 17.1 8.7 22.7 42 42 A N > - 0 0 44 1,-0.1 3,-2.4 -2,-0.1 27,-0.1 -0.526 46.3-100.8 -67.3 149.6 18.3 9.0 26.2 43 43 A T T 3 S+ 0 0 63 1,-0.3 -1,-0.1 -2,-0.2 25,-0.1 0.734 119.6 61.7 -41.3 -31.6 20.7 12.0 26.8 44 44 A N T 3 S+ 0 0 78 2,-0.1 2,-0.4 25,-0.0 -1,-0.3 0.471 74.4 103.4 -79.0 -17.1 23.7 9.6 26.5 45 45 A T S < S- 0 0 44 -3,-2.4 24,-0.1 3,-0.1 23,-0.1 -0.655 76.2-107.1 -75.0 136.6 23.2 8.4 23.0 46 46 A N S S+ 0 0 125 -2,-0.4 2,-0.2 2,-0.1 -2,-0.1 -0.856 96.8 50.3-109.5 141.8 25.7 10.0 20.7 47 47 A P - 0 0 48 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.611 67.0-172.9 -71.6 162.8 25.3 12.1 18.6 48 48 A K + 0 0 85 -2,-0.2 20,-2.9 20,-0.1 21,-0.4 0.639 59.6 48.4 -98.2 -17.8 23.5 14.3 20.8 49 49 A Y E - B 0 67A 15 18,-0.3 -47,-0.6 19,-0.1 2,-0.4 -0.865 54.6-158.4-132.7 152.5 22.5 16.9 18.2 50 50 A V E -aB 2 66A 1 16,-2.4 16,-2.9 -2,-0.3 2,-0.4 -0.964 16.7-146.9-121.5 147.2 20.9 17.3 14.8 51 51 A L E -aB 3 65A 15 -49,-2.8 -47,-2.4 -2,-0.4 2,-0.5 -0.933 6.5-162.2-114.8 139.8 21.5 20.4 12.6 52 52 A V E -aB 4 64A 0 12,-2.7 12,-3.0 -2,-0.4 2,-0.6 -0.954 6.6-159.2-123.9 107.8 18.7 21.6 10.3 53 53 A E E -aB 5 63A 54 -49,-2.8 -47,-2.8 -2,-0.5 2,-0.6 -0.809 5.1-159.9 -97.6 121.3 19.9 24.0 7.6 54 54 A L E -aB 6 62A 1 8,-3.2 8,-1.8 -2,-0.6 2,-0.7 -0.922 2.0-157.0-107.2 117.8 17.1 26.1 6.1 55 55 A Q E -aB 7 61A 69 -49,-2.5 -47,-2.4 -2,-0.6 -46,-1.7 -0.848 17.1-174.5 -98.2 107.5 17.8 27.7 2.7 56 56 A G > - 0 0 10 4,-3.1 3,-0.6 -2,-0.7 4,-0.2 -0.074 34.3 -72.8 -82.5-166.2 15.6 30.8 2.1 57 57 A S T 3 S+ 0 0 46 1,-0.2 3,-0.3 89,-0.2 -1,-0.2 -0.589 113.0 29.2 -95.4 152.9 15.1 33.0 -1.0 58 58 A N T 3 S- 0 0 150 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.0 0.725 133.7 -64.0 67.0 36.7 17.9 35.4 -2.0 59 59 A K S < S+ 0 0 175 -3,-0.6 2,-0.5 1,-0.2 -1,-0.2 0.906 91.7 150.3 57.9 41.5 20.8 33.2 -0.6 60 60 A K + 0 0 57 -3,-0.3 -4,-3.1 -4,-0.2 2,-0.3 -0.857 19.5 177.1-100.7 134.5 19.5 33.6 3.0 61 61 A T E -B 55 0A 23 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.980 18.5-175.4-141.0 151.1 20.2 30.7 5.4 62 62 A I E -B 54 0A 0 -8,-1.8 -8,-3.2 -2,-0.3 2,-0.6 -0.968 16.1-148.7-139.8 132.9 19.7 29.8 9.0 63 63 A T E -BC 53 77A 18 14,-2.7 14,-2.3 -2,-0.3 2,-0.5 -0.989 13.4-153.5-110.4 122.4 21.0 26.6 10.6 64 64 A L E -BC 52 76A 1 -12,-3.0 -12,-2.7 -2,-0.6 2,-0.5 -0.830 3.9-149.1 -88.3 118.0 18.8 25.4 13.4 65 65 A M E -BC 51 75A 0 10,-3.1 9,-2.7 -2,-0.5 10,-0.9 -0.865 20.3-176.8 -96.8 132.1 20.5 23.3 16.2 66 66 A L E -BC 50 73A 0 -16,-2.9 -16,-2.4 -2,-0.5 2,-0.4 -0.929 25.9-125.8-127.4 149.8 18.3 20.7 17.9 67 67 A R E > -B 49 0A 42 5,-2.0 4,-1.6 -2,-0.3 3,-0.4 -0.738 14.5-146.4 -90.2 135.5 18.7 18.2 20.7 68 68 A R T >4 S+ 0 0 14 -20,-2.9 3,-0.5 -2,-0.4 -1,-0.2 0.977 91.8 63.6 -66.2 -41.2 17.9 14.5 19.8 69 69 A N T 34 S- 0 0 33 -21,-0.4 185,-0.8 1,-0.3 -1,-0.2 0.722 129.7 -0.9 -48.8 -40.5 16.5 13.7 23.1 70 70 A N T 34 S- 0 0 18 -3,-0.4 -1,-0.3 183,-0.1 -2,-0.2 0.226 88.6-125.1-138.4 16.4 13.6 16.0 23.1 71 71 A L << + 0 0 0 -4,-1.6 -3,-0.1 -3,-0.5 107,-0.1 0.521 56.3 148.2 39.9 22.1 13.9 17.8 19.7 72 72 A Y - 0 0 113 -5,-0.1 -5,-2.0 1,-0.1 2,-0.4 -0.408 53.9-108.6 -74.4 155.8 13.8 21.4 21.2 73 73 A V E -C 66 0A 9 -7,-0.2 -7,-0.2 1,-0.1 3,-0.1 -0.717 27.6-173.2 -88.2 127.2 15.8 24.2 19.4 74 74 A M E - 0 0 0 -9,-2.7 16,-3.0 1,-0.4 2,-0.3 0.753 62.7 -61.6 -90.3 -25.0 19.0 25.2 21.3 75 75 A G E -CD 65 89A 0 -10,-0.9 -10,-3.1 14,-0.3 -1,-0.4 -0.968 50.8-112.5 163.5-173.5 19.7 28.1 19.0 76 76 A Y E -CD 64 88A 0 12,-1.9 12,-2.0 -2,-0.3 2,-0.3 -0.920 12.2-148.1-140.0 169.2 20.5 29.0 15.3 77 77 A S E -CD 63 87A 6 -14,-2.3 -14,-2.7 -2,-0.3 10,-0.2 -0.956 9.2-171.7-135.0 156.0 23.3 30.5 13.1 78 78 A D E - D 0 86A 1 8,-1.4 8,-2.6 -2,-0.3 2,-0.2 -0.984 36.4 -98.3-140.0 147.7 23.4 32.6 9.9 79 79 A P E - D 0 85A 69 0, 0.0 2,-0.4 0, 0.0 75,-0.2 -0.476 46.8-165.8 -51.9 131.5 26.2 33.6 7.6 80 80 A F E > - D 0 84A 20 4,-3.1 4,-1.8 -2,-0.2 73,-0.0 -0.991 42.5 -29.6-139.6 145.1 27.2 37.1 8.6 81 81 A E T 4 S- 0 0 127 -2,-0.4 74,-0.0 2,-0.2 75,-0.0 -0.207 112.3 -37.0 41.2-136.7 29.4 39.6 6.8 82 82 A T T 4 S- 0 0 139 1,-0.1 -1,-0.1 -3,-0.0 -2,-0.1 0.959 133.3 -6.1 -69.9 -72.1 32.0 38.1 4.5 83 83 A N T 4 S+ 0 0 115 -4,-0.1 2,-0.2 2,-0.1 -2,-0.2 0.307 96.1 118.3-118.1 15.7 33.1 35.0 6.4 84 84 A K E < -D 80 0A 71 -4,-1.8 -4,-3.1 28,-0.0 2,-0.5 -0.440 47.6-151.0 -88.9 146.7 31.6 34.9 9.8 85 85 A b E -De 79 112A 24 26,-1.9 28,-2.2 -6,-0.2 2,-0.6 -0.986 18.1-156.0-106.3 116.8 29.2 32.3 11.3 86 86 A R E -De 78 113A 7 -8,-2.6 -8,-1.4 -2,-0.5 2,-0.3 -0.886 9.6-161.8 -98.0 116.9 26.9 34.2 13.8 87 87 A Y E -De 77 114A 27 26,-2.5 28,-2.4 -2,-0.6 2,-0.4 -0.700 6.9-163.6-102.4 151.4 25.5 31.7 16.5 88 88 A H E -D 76 0A 0 -12,-2.0 -12,-1.9 -2,-0.3 2,-0.3 -0.900 6.8-166.2-137.5 103.7 22.5 32.6 18.6 89 89 A I E -D 75 0A 5 -2,-0.4 28,-2.3 -14,-0.2 2,-0.3 -0.734 27.9-112.6 -95.5 136.3 22.0 30.4 21.8 90 90 A F B > -h 117 0D 0 -16,-3.0 3,-2.3 -2,-0.3 30,-0.2 -0.550 26.3-117.2 -67.1 134.2 18.8 30.5 23.6 91 91 A N T 3 S+ 0 0 87 28,-1.3 29,-0.2 26,-1.3 -1,-0.1 0.619 111.3 61.5 -37.4 -23.4 19.0 32.1 27.1 92 92 A D T 3 S+ 0 0 63 27,-0.3 2,-0.5 -18,-0.1 -1,-0.3 0.147 77.9 98.0-108.1 24.2 17.9 28.8 28.6 93 93 A I < + 0 0 4 -3,-2.3 2,-0.3 -19,-0.1 -4,-0.0 -0.933 55.9 171.7-103.0 130.1 20.8 26.7 27.3 94 94 A S > + 0 0 35 -2,-0.5 3,-0.8 4,-0.0 4,-0.1 -0.873 29.7 11.0-136.3 167.2 23.5 26.2 30.0 95 95 A G T >> S- 0 0 59 -2,-0.3 3,-1.4 1,-0.2 4,-0.6 -0.298 120.4 -13.9 73.3-147.8 26.6 24.4 31.0 96 96 A T H >> S+ 0 0 105 1,-0.3 4,-2.7 2,-0.2 3,-1.5 0.859 128.1 72.2 -54.3 -39.3 28.6 22.4 28.4 97 97 A E H <> S+ 0 0 55 -3,-0.8 4,-2.2 1,-0.3 -1,-0.3 0.821 91.7 56.2 -50.4 -33.1 25.6 22.6 26.1 98 98 A R H <> S+ 0 0 72 -3,-1.4 4,-1.6 2,-0.2 -1,-0.3 0.848 110.3 43.1 -69.8 -32.7 26.4 26.3 25.5 99 99 A Q H S+ 0 0 0 -4,-2.2 4,-2.3 3,-0.2 5,-0.5 0.952 116.3 46.6 -75.0 -37.8 25.8 25.0 20.5 102 102 A E H X5S+ 0 0 33 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.939 115.6 42.8 -59.8 -55.3 28.9 27.2 19.7 103 103 A T H <5S+ 0 0 62 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.755 120.7 41.5 -64.6 -33.0 31.2 24.4 18.6 104 104 A T H <5S+ 0 0 24 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.955 119.1 39.9 -91.6 -56.5 28.5 22.6 16.6 105 105 A L H <5S+ 0 0 10 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.943 131.4 28.1 -61.8 -45.1 26.7 25.4 14.9 106 106 A b S <> - 0 0 52 1,-0.1 4,-1.8 4,-0.0 3,-0.9 -0.513 68.6-123.6 -76.3 145.0 8.9 28.7 25.8 123 123 A Y H 3> S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.837 107.4 58.4 -54.6 -43.5 5.9 29.7 23.8 124 124 A P H 3> S+ 0 0 38 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.847 110.2 47.1 -58.7 -30.3 4.4 32.3 26.4 125 125 A T H <> S+ 0 0 16 -3,-0.9 4,-1.4 2,-0.2 3,-0.2 0.959 110.3 49.3 -70.2 -51.0 7.7 34.1 26.1 126 126 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.3 3,-0.3 0.874 110.0 53.3 -61.2 -35.4 7.8 34.1 22.3 127 127 A E H X>S+ 0 0 19 -4,-2.8 5,-1.7 1,-0.2 4,-1.4 0.911 104.3 54.5 -69.7 -33.8 4.2 35.3 22.2 128 128 A S H <5S+ 0 0 91 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.832 110.9 46.4 -67.9 -31.5 5.0 38.4 24.4 129 129 A K H <5S+ 0 0 61 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.777 109.3 51.2 -80.4 -39.4 7.8 39.4 22.1 130 130 A A H <5S- 0 0 5 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.712 111.4-129.2 -65.4 -22.2 5.7 39.0 18.9 131 131 A G T <5 + 0 0 60 -4,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.980 66.2 124.4 70.8 53.4 3.2 41.2 20.9 132 132 A V < - 0 0 34 -5,-1.7 -1,-0.3 1,-0.1 3,-0.1 -0.919 65.5-130.4-136.8 155.8 0.4 38.8 20.3 133 133 A K S S+ 0 0 172 1,-0.3 2,-0.4 -2,-0.3 -6,-0.1 0.783 90.6 6.1 -83.0 -34.7 -1.9 37.1 22.9 134 134 A S S > S- 0 0 34 -7,-0.1 3,-2.0 -3,-0.0 -1,-0.3 -0.979 75.2-111.9-146.9 142.8 -1.5 33.6 21.5 135 135 A R T 3 S+ 0 0 7 -2,-0.4 4,-0.1 1,-0.2 67,-0.0 -0.561 107.1 74.2 -61.5 123.5 0.5 32.0 18.8 136 136 A S T 3 S+ 0 0 39 -2,-0.3 -1,-0.2 2,-0.2 4,-0.1 -0.191 85.2 65.0 149.5 -36.6 -2.7 31.4 16.6 137 137 A Q S < S+ 0 0 102 -3,-2.0 2,-0.5 59,-0.1 -2,-0.2 0.455 91.6 75.8 -78.9 -14.3 -2.8 35.0 15.8 138 138 A V S S- 0 0 14 -4,-0.2 -2,-0.2 59,-0.1 2,-0.2 -0.913 84.8-131.8-102.8 131.8 0.5 34.5 13.9 139 139 A Q - 0 0 81 -2,-0.5 2,-0.3 57,-0.2 57,-0.2 -0.505 14.6-150.6 -81.2 153.8 0.2 32.8 10.6 140 140 A L B +I 195 0E 2 55,-2.6 55,-2.8 -2,-0.2 2,-0.2 -0.758 32.3 127.0-117.4 159.3 2.3 29.9 9.5 141 141 A G > - 0 0 3 -2,-0.3 4,-2.5 53,-0.2 53,-0.1 -0.722 64.3 -99.4 158.0 156.4 3.2 29.0 6.0 142 142 A I H > S+ 0 0 12 49,-0.4 4,-2.5 51,-0.3 5,-0.2 0.938 122.3 47.4 -64.4 -50.7 6.2 28.3 3.8 143 143 A Q H > S+ 0 0 98 48,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.791 110.3 54.1 -63.8 -25.9 6.3 31.8 2.3 144 144 A I H > S+ 0 0 38 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.956 109.8 48.5 -70.7 -41.3 6.0 33.2 5.8 145 145 A L H X S+ 0 0 3 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.935 112.7 46.5 -62.9 -49.7 9.1 31.1 6.8 146 146 A D H X S+ 0 0 29 -4,-2.5 4,-2.3 1,-0.3 -89,-0.2 0.967 112.7 49.4 -53.8 -53.2 11.1 32.1 3.8 147 147 A S H X S+ 0 0 63 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.3 0.818 110.8 51.4 -59.9 -31.9 10.2 35.8 4.3 148 148 A N H >X S+ 0 0 9 -4,-1.9 4,-1.0 2,-0.2 3,-0.9 0.929 105.0 54.1 -77.9 -36.8 11.2 35.4 8.0 149 149 A I H >X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.3 3,-1.4 0.946 108.1 53.9 -47.7 -48.1 14.6 33.9 7.2 150 150 A G H 3< S+ 0 0 32 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.691 103.2 53.4 -65.8 -18.4 15.0 37.0 5.0 151 151 A K H << S+ 0 0 101 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.695 122.3 29.3 -85.0 -13.9 14.3 39.4 7.8 152 152 A I H X< S+ 0 0 0 -3,-1.4 3,-1.6 -4,-1.0 2,-0.3 0.783 91.3 95.3-112.4 -45.7 17.0 37.7 10.1 153 153 A S T 3< S- 0 0 5 -4,-3.2 3,-0.1 1,-0.3 -73,-0.1 -0.397 107.5 -13.3 -71.4 118.4 19.8 36.3 7.9 154 154 A G T 3 S+ 0 0 40 -2,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.755 96.7 136.3 69.3 30.5 22.9 38.6 7.4 155 155 A V < - 0 0 36 -3,-1.6 -1,-0.3 1,-0.2 3,-0.1 -0.863 52.2-142.5-106.9 135.4 21.0 41.7 8.8 156 156 A M S S+ 0 0 157 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.957 82.6 16.6 -58.2 -58.0 23.0 43.9 11.2 157 157 A S + 0 0 98 1,-0.1 -1,-0.2 2,-0.0 0, 0.0 -0.949 62.7 166.6-124.3 132.6 20.1 44.8 13.7 158 158 A F - 0 0 14 -2,-0.4 4,-0.3 -3,-0.1 5,-0.2 0.511 31.4-123.9-134.4 14.3 16.7 43.1 14.0 159 159 A T > - 0 0 98 3,-0.1 4,-2.3 2,-0.1 3,-0.3 0.638 27.3-101.8 66.8 133.5 14.3 43.7 17.0 160 160 A E H > S+ 0 0 82 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.869 117.7 57.4 -64.1 -32.7 12.9 41.2 19.4 161 161 A K H > S+ 0 0 107 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.827 109.3 48.2 -65.0 -37.7 9.4 41.0 17.7 162 162 A T H > S+ 0 0 31 -4,-0.3 4,-2.3 -3,-0.3 -2,-0.2 0.940 113.8 45.3 -69.2 -51.8 11.0 40.0 14.5 163 163 A E H X S+ 0 0 10 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.955 113.1 48.6 -58.1 -50.1 13.2 37.4 16.1 164 164 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.950 110.5 53.4 -56.9 -43.0 10.3 35.9 18.2 165 165 A E H X S+ 0 0 61 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.908 108.2 49.7 -60.6 -42.6 8.1 35.8 15.1 166 166 A F H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.960 113.8 45.7 -55.0 -48.6 10.8 33.9 13.2 167 167 A L H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.875 109.4 54.3 -70.9 -32.1 11.2 31.3 16.0 168 168 A L H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 5,-0.3 0.971 114.8 40.5 -61.9 -47.0 7.4 30.9 16.4 169 169 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.961 120.1 43.7 -65.3 -53.0 7.0 30.1 12.8 170 170 A A H X S+ 0 0 2 -4,-3.1 4,-2.5 -5,-0.2 5,-0.4 0.877 112.4 49.3 -66.5 -43.1 10.3 27.9 12.5 171 171 A I H <>S+ 0 0 15 -4,-2.9 5,-3.0 -5,-0.2 4,-0.3 0.923 117.4 44.3 -59.5 -40.4 9.9 25.8 15.8 172 172 A Q H <>S+ 0 0 1 -4,-1.7 5,-2.0 -5,-0.3 -2,-0.2 0.919 117.9 43.5 -68.1 -42.0 6.2 25.1 14.7 173 173 A M H <5S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.813 128.8 23.7 -77.4 -30.7 7.1 24.3 11.2 174 174 A V T X5S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.2 -3,-0.2 0.873 132.2 23.3-103.2 -71.5 10.2 22.2 12.0 175 175 A S H >5S+ 0 0 0 -5,-0.4 4,-1.4 -4,-0.3 5,-0.2 0.905 126.8 46.0 -69.4 -39.8 10.2 20.6 15.5 176 176 A E H >> S+ 0 0 74 -2,-0.6 4,-2.3 67,-0.3 5,-0.2 0.861 94.3 62.5 -57.3 -33.2 2.0 14.0 11.9 182 182 A Y H > S+ 0 0 36 66,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.962 104.5 44.3 -62.8 -40.1 -1.1 16.1 12.5 183 183 A I H > S+ 0 0 4 -3,-0.4 4,-2.3 65,-0.3 -2,-0.2 0.895 109.1 57.6 -78.8 -34.8 0.8 19.3 12.3 184 184 A E H X S+ 0 0 3 -4,-2.1 4,-2.2 -7,-0.6 -1,-0.3 0.884 108.2 47.5 -55.6 -43.3 2.7 18.2 9.3 185 185 A N H X S+ 0 0 62 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.897 104.9 58.3 -74.0 -28.1 -0.6 17.6 7.5 186 186 A Q H X S+ 0 0 40 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.942 109.7 46.0 -61.5 -38.7 -2.0 21.0 8.5 187 187 A V H >< S+ 0 0 2 -4,-2.3 3,-1.2 2,-0.2 -2,-0.2 0.942 111.7 50.0 -74.6 -30.2 1.0 22.4 6.8 188 188 A K H >< S+ 0 0 44 -4,-2.2 3,-2.3 1,-0.3 4,-0.2 0.967 107.2 56.5 -69.3 -43.4 0.6 20.2 3.7 189 189 A T H 3< S+ 0 0 93 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.562 118.2 31.3 -62.4 -13.6 -3.1 21.2 3.4 190 190 A N T X< S+ 0 0 23 -3,-1.2 3,-2.3 -4,-0.5 -1,-0.3 0.102 78.1 134.0-131.0 17.6 -2.4 24.9 3.2 191 191 A F T < S+ 0 0 19 -3,-2.3 -49,-0.4 1,-0.3 -48,-0.3 0.820 72.2 49.6 -46.3 -35.9 1.0 24.7 1.4 192 192 A N T 3 S+ 0 0 146 -4,-0.2 -1,-0.3 -50,-0.1 2,-0.3 0.207 116.2 32.7 -95.8 21.1 0.1 27.5 -1.1 193 193 A R S < S- 0 0 145 -3,-2.3 2,-0.3 -53,-0.0 -51,-0.3 -0.938 86.2 -88.4-159.0 176.7 -1.1 30.1 1.5 194 194 A A - 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