==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 21-FEB-07 2JH8 . COMPND 2 MOLECULE: VP4 CORE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BLUETONGUE VIRUS 10 (ISOLATE USA); . AUTHOR G.SUTTON,J.M.GRIMES,D.I.STUART,P.ROY . 613 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 420 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 6.5 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 51 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 26.9 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+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 1 2 1 3 3 1 3 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 3 3 3 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 . 3 0 2 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 1 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 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 2 A P 0 0 44 0, 0.0 543,-0.1 0, 0.0 431,-0.0 0.000 360.0 360.0 360.0 -30.9 98.3 17.7 174.6 2 3 A E + 0 0 82 542,-0.1 542,-0.1 1,-0.0 430,-0.0 0.361 360.0 112.3-145.6 -45.4 101.1 20.0 173.5 3 4 A P - 0 0 33 0, 0.0 2,-0.2 0, 0.0 43,-0.2 0.021 45.5-170.1 -54.2 135.3 100.0 23.6 174.0 4 5 A H - 0 0 14 41,-0.2 2,-0.4 39,-0.2 42,-0.1 -0.677 20.7-124.4-114.9 171.6 101.9 25.5 176.7 5 6 A A - 0 0 0 -2,-0.2 42,-2.8 481,-0.1 2,-0.6 -0.926 20.6-131.5-107.4 143.8 101.8 28.7 178.6 6 7 A V E -ab 47 66A 0 59,-3.6 61,-3.1 -2,-0.4 2,-1.8 -0.847 20.9-143.9 -86.0 119.4 104.7 31.1 178.6 7 8 A L E -ab 48 67A 7 40,-5.4 42,-1.3 -2,-0.6 2,-0.7 -0.585 18.2-162.1 -96.2 80.9 105.0 31.9 182.3 8 9 A Y E -ab 49 68A 11 -2,-1.8 61,-3.0 59,-1.6 2,-0.3 -0.517 10.0-176.6 -73.7 110.3 106.0 35.5 182.0 9 10 A V E - b 0 69A 0 40,-1.3 42,-0.4 -2,-0.7 61,-0.2 -0.748 24.7-118.5-102.7 144.8 107.6 36.8 185.2 10 11 A T >> - 0 0 16 59,-1.6 3,-1.6 -2,-0.3 4,-0.6 -0.389 36.2 -95.2 -82.9 170.3 108.6 40.4 185.7 11 12 A N G >4 S+ 0 0 107 1,-0.3 3,-2.4 2,-0.2 4,-0.4 0.860 114.6 64.2 -54.4 -53.7 112.2 41.3 186.3 12 13 A E G 34 S+ 0 0 63 1,-0.3 -1,-0.3 2,-0.1 58,-0.1 0.502 111.7 43.2 -52.4 -2.1 112.5 41.5 190.1 13 14 A L G X> S+ 0 0 0 -3,-1.6 3,-1.8 56,-0.1 4,-0.7 0.616 80.2 101.7-118.1 -25.2 111.7 37.8 190.1 14 15 A S H < S+ 0 0 0 -4,-0.7 3,-3.5 -3,-0.4 -2,-0.2 0.900 89.7 71.2 -44.5 -53.4 113.1 30.9 187.8 18 19 A K T 3< S+ 0 0 94 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.635 93.3 55.7 -32.4 -32.6 116.6 30.0 186.8 19 20 A D T < S+ 0 0 124 -3,-2.7 -1,-0.3 -4,-0.2 -2,-0.2 0.497 88.2 101.8 -88.6 -5.6 116.7 27.1 189.2 20 21 A G S < S- 0 0 14 -3,-3.5 4,-0.1 -4,-0.3 79,-0.0 0.387 74.3-128.3 -60.7-164.0 113.6 25.4 187.9 21 22 A F S S+ 0 0 196 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.320 84.0 90.2-129.0 -3.9 113.5 22.3 185.7 22 23 A L S S- 0 0 51 -5,-0.2 25,-0.1 1,-0.1 -2,-0.1 -0.659 92.0 -94.3 -85.4 151.4 111.1 24.0 183.1 23 24 A P - 0 0 47 0, 0.0 25,-2.4 0, 0.0 2,-0.5 -0.228 31.8-136.5 -69.2 156.0 112.8 25.8 180.3 24 25 A I E -c 48 0A 68 23,-0.2 2,-0.5 -6,-0.1 25,-0.2 -0.943 8.8-155.4-118.1 109.0 113.5 29.5 180.6 25 26 A W E -c 49 0A 5 23,-3.6 25,-1.6 -2,-0.5 2,-0.5 -0.751 17.2-154.2 -85.1 125.8 112.8 31.7 177.5 26 27 A K E -c 50 0A 137 -2,-0.5 2,-0.2 23,-0.2 25,-0.2 -0.890 10.4-166.0-112.0 123.3 114.9 34.9 177.6 27 28 A L + 0 0 8 23,-2.4 2,-0.2 -2,-0.5 23,-0.1 -0.672 16.4 177.0-120.3 177.8 114.2 38.3 176.0 28 29 A T - 0 0 57 24,-0.3 23,-0.0 23,-0.3 -2,-0.0 -0.657 52.9 -83.7 111.2 92.8 115.6 41.2 175.2 29 30 A G S S+ 0 0 29 -2,-0.2 2,-0.6 26,-0.0 26,-0.2 0.671 108.0 59.0 -20.6 -72.5 114.1 44.3 173.3 30 31 A D + 0 0 134 5,-0.0 2,-0.2 23,-0.0 -2,-0.1 -0.908 50.0 130.1 -74.3 126.2 114.7 43.1 169.8 31 32 A E - 0 0 26 -2,-0.6 2,-0.1 1,-0.2 3,-0.0 -0.337 53.2-135.7 -53.5 155.4 113.3 40.3 168.9 32 33 A S > - 0 0 59 -2,-0.2 4,-1.0 1,-0.1 3,-0.2 -0.283 30.7 -97.4 -76.6 179.8 111.5 40.9 165.8 33 34 A L H >> S+ 0 0 38 2,-0.2 3,-2.1 1,-0.2 4,-1.5 0.996 123.6 46.3 -65.2 -66.9 108.0 39.4 165.4 34 35 A N H 3> S+ 0 0 66 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.416 104.5 69.9 -69.2 6.9 108.7 36.2 163.5 35 36 A D H 3> S+ 0 0 67 -3,-0.2 4,-1.5 2,-0.1 -1,-0.3 0.867 99.8 43.0 -79.0 -48.7 111.4 35.9 166.1 36 37 A L H XX S+ 0 0 8 -3,-2.1 4,-2.4 -4,-1.0 3,-0.6 0.960 112.0 54.3 -62.2 -49.7 109.0 35.2 168.8 37 38 A W H 3X S+ 0 0 17 -4,-1.5 4,-1.2 1,-0.3 478,-0.5 0.844 113.0 41.8 -55.7 -38.4 106.9 32.9 166.7 38 39 A L H 3< S+ 0 0 82 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.730 119.1 45.6 -83.4 -21.5 109.9 30.7 165.9 39 40 A E H X< S+ 0 0 51 -4,-1.5 3,-3.0 -3,-0.6 4,-0.2 0.963 113.0 45.5 -79.2 -68.3 111.3 30.8 169.4 40 41 A N H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 -3,-0.2 0.797 102.5 68.9 -43.1 -38.0 108.1 30.2 171.3 41 42 A G T 3< S+ 0 0 5 -4,-1.2 477,-0.5 -5,-0.5 -1,-0.3 0.429 88.7 70.8 -62.3 4.4 107.5 27.4 168.8 42 43 A K T < S+ 0 0 124 -3,-3.0 2,-0.4 475,-0.1 -1,-0.3 0.637 78.3 85.4 -98.4 -16.6 110.4 25.7 170.4 43 44 A Y < + 0 0 46 -3,-2.1 -39,-0.2 -4,-0.2 4,-0.1 -0.726 44.1 180.0 -94.3 133.2 108.8 24.8 173.7 44 45 A A S S+ 0 0 61 -2,-0.4 2,-0.2 2,-0.1 -1,-0.1 0.639 75.0 38.6 -99.5 -20.8 106.8 21.6 174.2 45 46 A T S S- 0 0 72 1,-0.2 -41,-0.2 -41,-0.1 -43,-0.0 -0.690 110.1 -67.3-112.9 174.3 106.0 22.1 177.9 46 47 A D - 0 0 43 -2,-0.2 2,-0.3 -43,-0.2 -40,-0.2 -0.191 58.3-152.4 -53.5 151.1 105.1 25.3 179.7 47 48 A V E -a 6 0A 0 -42,-2.8 -40,-5.4 -25,-0.1 2,-0.4 -0.938 16.2-132.8-131.9 160.1 107.9 27.8 179.9 48 49 A Y E +ac 7 24A 4 -25,-2.4 -23,-3.6 -2,-0.3 2,-0.3 -0.869 34.2 175.9-101.7 136.3 109.1 30.6 182.1 49 50 A A E +ac 8 25A 0 -42,-1.3 -40,-1.3 -2,-0.4 2,-0.2 -0.991 6.4 171.0-147.3 139.1 110.1 33.7 180.1 50 51 A Y E + c 0 26A 33 -25,-1.6 -23,-2.4 -2,-0.3 -40,-0.1 -0.761 24.8 79.9-133.8-174.6 111.3 37.2 181.0 51 52 A G S S- 0 0 5 -42,-0.4 -23,-0.3 -2,-0.2 -2,-0.0 -0.017 80.5 -23.8 95.8 160.1 112.7 40.5 179.6 52 53 A D + 0 0 71 1,-0.1 -24,-0.3 -25,-0.1 -2,-0.0 0.022 49.8 157.6 -43.8 129.3 111.3 43.6 177.8 53 54 A V > + 0 0 7 23,-0.2 3,-1.3 -26,-0.1 25,-0.4 -0.061 30.6 125.8-137.4 29.6 108.1 43.2 175.9 54 55 A S T 3 + 0 0 56 1,-0.3 -2,-0.0 23,-0.2 21,-0.0 0.874 65.8 65.9 -59.2 -38.2 107.0 46.8 175.9 55 56 A K T 3 S+ 0 0 151 -26,-0.2 2,-0.3 22,-0.1 -1,-0.3 0.693 88.8 83.6 -52.4 -30.9 106.6 46.7 172.1 56 57 A W < - 0 0 28 -3,-1.3 22,-1.7 22,-0.1 23,-0.5 -0.624 69.2-126.7-104.6 143.2 103.7 44.2 171.9 57 58 A T > - 0 0 18 -2,-0.3 4,-1.7 21,-0.2 -1,-0.1 -0.105 29.7-115.9 -66.6 168.3 99.9 44.2 172.1 58 59 A I H > S+ 0 0 0 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.954 114.1 54.1 -77.0 -50.2 98.1 41.9 174.6 59 60 A R H > S+ 0 0 2 1,-0.3 4,-3.6 2,-0.3 5,-0.3 0.890 109.1 53.0 -50.9 -41.9 96.2 39.9 172.1 60 61 A Q H > S+ 0 0 26 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.961 111.2 45.8 -55.2 -48.8 99.6 39.3 170.6 61 62 A L H <>S+ 0 0 1 -4,-1.7 5,-2.0 1,-0.2 4,-0.5 0.870 115.3 45.1 -72.9 -31.7 100.8 38.2 174.0 62 63 A R H ><5S+ 0 0 0 -4,-3.6 3,-1.7 1,-0.2 -1,-0.2 0.937 106.8 57.9 -69.8 -46.9 97.8 36.0 174.6 63 64 A G H 3<5S+ 0 0 4 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.789 107.5 55.8 -49.1 -18.8 97.9 34.4 171.2 64 65 A H T 3<5S- 0 0 6 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.732 121.4-101.0 -94.3 -19.5 101.3 33.5 172.3 65 66 A G T < 5 + 0 0 3 -3,-1.7 -59,-3.6 -4,-0.5 2,-0.3 0.463 61.9 164.0 110.5 13.4 100.7 31.6 175.5 66 67 A F E < -b 6 0A 4 -5,-2.0 2,-0.4 -61,-0.2 -1,-0.2 -0.467 19.4-179.1 -80.4 128.8 101.5 34.4 178.0 67 68 A I E -b 7 0A 0 -61,-3.1 -59,-1.6 -2,-0.3 2,-0.6 -0.987 25.7-130.8-115.0 138.9 100.6 34.4 181.6 68 69 A F E +b 8 0A 0 -2,-0.4 18,-2.9 -61,-0.1 2,-0.4 -0.786 29.7 170.1 -98.3 115.1 101.6 37.4 183.8 69 70 A I E +bd 9 86A 1 -61,-3.0 -59,-1.6 -2,-0.6 2,-0.3 -0.995 16.3 131.7-127.8 123.6 103.4 36.8 187.0 70 71 A S E - d 0 87A 0 16,-1.6 18,-2.7 -2,-0.4 5,-0.0 -0.872 61.3-121.4-150.3-178.6 104.9 39.6 189.0 71 72 A T S S+ 0 0 26 -2,-0.3 2,-0.2 16,-0.2 19,-0.2 0.401 98.8 78.8 -99.8 -12.6 105.1 41.1 192.5 72 73 A H S S- 0 0 98 1,-0.1 -2,-0.2 18,-0.0 16,-0.1 -0.580 91.4-118.5 -94.3 161.3 103.7 44.2 190.8 73 74 A K S S- 0 0 95 -2,-0.2 11,-3.4 1,-0.1 2,-0.3 0.710 83.5 -11.1 -72.9 -22.1 100.0 44.7 190.0 74 75 A N E -E 83 0B 62 9,-0.3 2,-0.3 -5,-0.0 9,-0.2 -0.974 61.2-125.1-172.6 167.6 100.4 45.0 186.2 75 76 A V E -E 82 0B 20 7,-1.6 7,-1.3 -2,-0.3 2,-0.2 -0.942 26.4-105.4-138.1 150.8 102.8 45.6 183.4 76 77 A Q E +E 81 0B 100 -2,-0.3 2,-0.3 5,-0.2 -23,-0.2 -0.486 42.2 166.7 -75.8 144.8 103.3 48.0 180.5 77 78 A L - 0 0 6 3,-0.5 -20,-0.2 -2,-0.2 -23,-0.2 -0.884 47.7-109.7-147.0 174.2 102.5 46.9 177.0 78 79 A A S S+ 0 0 56 -22,-1.7 -21,-0.2 -25,-0.4 -22,-0.1 0.915 117.0 45.8 -73.3 -45.7 102.0 48.4 173.5 79 80 A D S S- 0 0 39 -23,-0.5 2,-0.2 1,-0.2 -22,-0.1 0.992 128.5 -61.1 -56.9 -72.8 98.2 47.7 173.6 80 81 A I - 0 0 76 -5,-0.1 2,-0.6 400,-0.0 -3,-0.5 -0.711 66.8 -60.6-158.7-152.5 97.5 49.0 177.1 81 82 A I E -E 76 0B 97 -2,-0.2 2,-0.2 -5,-0.2 -5,-0.2 -0.893 52.6-146.3-123.7 102.2 98.4 48.3 180.7 82 83 A K E -E 75 0B 0 -7,-1.3 -7,-1.6 -2,-0.6 2,-0.5 -0.477 12.5-123.2 -83.6 134.7 97.5 44.8 181.9 83 84 A T E -E 74 0B 45 398,-0.2 -9,-0.3 -9,-0.2 -15,-0.1 -0.605 43.4-108.3 -63.2 117.0 96.4 43.6 185.4 84 85 A V - 0 0 11 -11,-3.4 3,-0.3 -2,-0.5 -15,-0.1 -0.309 22.0-148.5 -45.3 123.7 98.8 41.0 186.4 85 86 A D S S+ 0 0 7 1,-0.3 2,-0.5 -17,-0.3 -16,-0.2 0.869 88.3 29.1 -65.6 -41.6 97.1 37.5 186.2 86 87 A V E S-d 69 0A 0 -18,-2.9 -16,-1.6 2,-0.0 2,-0.5 -0.898 72.6-171.9-129.5 99.4 99.2 36.1 189.1 87 88 A R E -d 70 0A 145 -2,-0.5 -16,-0.2 -3,-0.3 -14,-0.1 -0.819 13.8-146.4 -92.3 130.1 100.5 38.5 191.7 88 89 A I - 0 0 2 -18,-2.7 2,-0.3 -2,-0.5 5,-0.1 -0.771 22.0-117.2 -85.9 132.4 103.0 37.1 194.2 89 90 A P > - 0 0 60 0, 0.0 3,-1.9 0, 0.0 -18,-0.0 -0.601 28.9-129.1 -59.7 134.1 102.9 38.4 197.8 90 91 A R G >> S+ 0 0 154 1,-0.3 3,-3.9 -2,-0.3 4,-0.5 0.903 108.9 63.7 -61.9 -43.0 106.4 39.9 198.0 91 92 A E G 34 S+ 0 0 145 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.788 101.9 55.3 -40.9 -31.4 107.1 38.0 201.2 92 93 A V G <4 S+ 0 0 49 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.194 107.8 48.0-100.2 11.5 106.7 35.0 198.9 93 94 A A T X> S+ 0 0 8 -3,-3.9 3,-1.8 -5,-0.1 4,-0.6 0.929 107.1 55.1 -66.2 -77.7 109.4 36.2 196.5 94 95 A R T 3< S+ 0 0 153 1,-0.8 -2,-0.2 -4,-0.5 -3,-0.1 -0.775 91.2 59.3-173.2 -16.5 111.7 36.9 198.6 95 96 A S T 34 S- 0 0 103 -4,-0.3 -1,-0.8 -2,-0.0 -3,-0.1 0.406 99.2-138.5 65.2-111.3 112.3 34.4 200.4 96 97 A H T <4 + 0 0 89 -3,-1.8 2,-0.6 1,-0.3 -2,-0.3 0.878 37.5 161.3 94.3 39.7 113.1 32.7 197.1 97 98 A D X - 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0 0 6 -3,-0.3 3,-1.4 1,-0.2 2,-0.2 0.735 22.8-166.0 32.8 46.6 100.0 27.8 164.8 514 521 A I T 3 + 0 0 28 1,-0.2 -1,-0.2 -451,-0.2 -476,-0.1 -0.380 64.8 6.8 -61.8 126.7 102.6 27.8 167.5 515 522 A G T 3> S+ 0 0 10 -478,-0.5 4,-3.8 -2,-0.2 3,-0.4 0.461 76.4 143.2 84.4 2.7 105.4 25.2 167.2 516 523 A L H <> S+ 0 0 15 -3,-1.4 4,-1.3 1,-0.3 -2,-0.1 0.750 70.7 58.6 -47.2 -24.4 104.2 24.1 163.8 517 524 A R H > S+ 0 0 178 2,-0.2 4,-2.0 3,-0.1 3,-0.4 0.975 111.4 35.4 -70.7 -55.7 107.9 23.7 163.0 518 525 A V H > S+ 0 0 72 -477,-0.5 4,-2.1 -3,-0.4 5,-0.3 0.928 117.2 58.2 -61.3 -42.6 108.7 21.2 165.8 519 526 A E H X S+ 0 0 20 -4,-3.8 4,-1.2 1,-0.2 -1,-0.2 0.779 107.2 46.3 -58.2 -29.2 105.2 19.8 165.1 520 527 A S H X S+ 0 0 22 -4,-1.3 4,-1.8 -3,-0.4 -1,-0.2 0.853 108.5 53.4 -82.0 -38.4 106.2 19.1 161.5 521 528 A S H X S+ 0 0 57 -4,-2.0 4,-1.6 2,-0.2 3,-0.4 0.973 109.2 49.0 -61.8 -50.8 109.5 17.5 162.2 522 529 A V H >X S+ 0 0 54 -4,-2.1 4,-3.1 1,-0.3 3,-1.0 0.936 106.1 58.3 -49.1 -52.8 108.0 15.0 164.6 523 530 A L H 3X S+ 0 0 19 -4,-1.2 4,-1.2 1,-0.3 -1,-0.3 0.896 110.7 42.4 -41.8 -50.0 105.4 14.2 162.0 524 531 A R H 3< S+ 0 0 146 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.697 117.5 44.6 -77.3 -22.4 108.1 13.2 159.6 525 532 A V H << S+ 0 0 107 -4,-1.6 -1,-0.2 -3,-1.0 -2,-0.2 0.750 123.3 33.8 -95.2 -26.6 110.2 11.3 162.0 526 533 A R H < S+ 0 0 202 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.934 139.6 3.5 -88.2 -72.4 107.4 9.4 163.6 527 534 A N S < S+ 0 0 95 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.1 -0.759 87.4 177.8-123.4 82.5 104.7 8.7 160.9 528 535 A P 0 0 65 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.762 360.0 360.0 -64.6-137.7 106.3 10.1 157.6 529 536 A T 0 0 128 -5,-0.2 -5,-0.0 0, 0.0 0, 0.0 -0.002 360.0 360.0 168.5 360.0 105.1 10.2 153.9 530 ! 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 0.0 531 550 A D > 0 0 158 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 21.1 104.9 25.0 151.9 532 551 A L H > + 0 0 55 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.847 360.0 46.0 -65.7 -37.3 101.3 26.1 152.2 533 552 A S H >> S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 3,-0.6 0.991 113.9 48.4 -59.8 -65.5 100.2 22.6 151.3 534 553 A G H 3> S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.830 109.7 56.7 -36.5 -44.3 102.7 21.1 153.7 535 554 A H H 3X S+ 0 0 35 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.921 108.9 41.2 -60.0 -50.8 101.4 23.6 156.3 536 555 A L H X S+ 0 0 25 -4,-2.4 4,-3.6 2,-0.2 3,-0.8 0.980 112.4 44.5 -58.0 -55.5 98.5 18.9 156.1 538 557 A V H 3X S+ 0 0 13 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.965 105.2 61.1 -55.3 -52.5 100.6 19.3 159.2 539 558 A T H 3< S+ 0 0 2 -4,-3.1 6,-0.6 1,-0.2 4,-0.4 0.814 120.6 27.6 -47.3 -33.1 98.0 21.5 160.9 540 559 A L H X< S+ 0 0 3 -4,-1.3 3,-0.7 -3,-0.8 -93,-0.4 0.865 114.1 57.2 -89.1 -50.8 95.7 18.5 160.6 541 560 A M H 3< S+ 0 0 28 -4,-3.6 -3,-0.2 1,-0.2 -2,-0.2 0.791 108.6 56.0 -58.9 -23.9 97.8 15.4 160.6 542 561 A S T 3< S- 0 0 29 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.768 82.3-152.9 -76.4 -39.7 99.1 16.8 164.0 543 562 A G < + 0 0 18 -3,-0.7 -97,-0.4 -4,-0.4 -3,-0.1 0.694 67.6 111.4 62.4 16.3 96.0 17.1 166.0 544 563 A A S S+ 0 0 7 -5,-0.3 2,-0.4 1,-0.1 -542,-0.1 0.509 70.7 53.4 -87.1 -10.2 97.8 19.9 167.9 545 564 A Y - 0 0 14 -6,-0.6 2,-0.4 -5,-0.1 -95,-0.2 -0.964 52.6-167.2-136.5 147.8 95.6 22.6 166.5 546 565 A V + 0 0 2 -2,-0.4 -84,-2.1 -54,-0.1 2,-0.3 -0.882 29.9 150.2-128.1 99.4 92.0 23.6 166.1 547 566 A T - 0 0 6 -2,-0.4 2,-1.4 -86,-0.2 -93,-0.1 -0.829 53.8 -94.6-123.5 172.0 91.4 26.5 163.8 548 567 A D > - 0 0 0 -2,-0.3 4,-2.9 1,-0.2 3,-0.4 -0.662 34.6-171.4 -89.3 91.0 88.5 27.5 161.5 549 568 A L H > S+ 0 0 5 -2,-1.4 4,-4.7 -99,-0.3 -1,-0.2 0.857 79.0 56.7 -39.3 -58.8 89.3 26.0 158.1 550 569 A F H > S+ 0 0 41 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.905 114.2 37.2 -49.3 -53.2 86.6 27.8 156.2 551 570 A W H > S+ 0 0 0 -3,-0.4 4,-3.4 2,-0.2 5,-0.3 0.953 114.9 55.7 -67.4 -47.2 87.6 31.3 157.2 552 571 A W H X S+ 0 0 14 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.946 111.7 45.7 -46.9 -50.2 91.2 30.3 156.9 553 572 A F H >X S+ 0 0 7 -4,-4.7 4,-1.6 2,-0.2 3,-0.6 0.989 110.3 50.2 -55.7 -65.4 90.4 29.2 153.4 554 573 A K H 3X S+ 0 0 79 -4,-3.2 4,-0.8 1,-0.3 -1,-0.2 0.803 115.2 46.5 -47.7 -34.9 88.4 32.3 152.5 555 574 A M H 3< S+ 0 0 8 -4,-3.4 5,-0.4 1,-0.2 4,-0.4 0.914 108.3 54.3 -71.1 -44.0 91.3 34.4 153.8 556 575 A I H << S+ 0 0 19 -4,-2.6 4,-0.5 -3,-0.6 -2,-0.2 0.786 125.9 18.6 -60.3 -29.4 94.1 32.4 152.1 557 576 A L H < S+ 0 0 43 -4,-1.6 -3,-0.1 2,-0.2 -2,-0.1 0.858 125.5 45.3-111.0 -66.3 92.6 32.8 148.6 558 577 A D S < S+ 0 0 88 -4,-0.8 -3,-0.1 -5,-0.3 -2,-0.1 0.397 131.9 26.8 -59.7 3.0 90.1 35.6 148.4 559 578 A W S S+ 0 0 3 -4,-0.4 4,-0.4 2,-0.2 3,-0.4 0.706 93.3 79.4-141.4 -27.8 92.8 37.5 150.3 560 579 A S S S+ 0 0 37 1,-0.6 2,-0.2 -4,-0.5 -1,-0.1 -0.727 100.2 27.4-147.6 97.1 96.6 36.8 150.2 561 580 A A S S+ 0 0 75 -2,-0.3 -1,-0.6 -3,-0.1 -2,-0.2 0.711 82.7 106.9 -84.1 166.2 97.8 37.9 147.8 562 581 A Q S S- 0 0 83 -3,-0.4 2,-0.4 -2,-0.2 -2,-0.2 0.019 87.2 -16.6 49.5-139.4 95.9 40.3 147.1 563 582 A N > - 0 0 62 -4,-0.4 4,-0.5 -2,-0.2 0, 0.0 -0.911 20.4-150.6-141.1 141.1 98.3 43.0 148.1 564 583 A R T 4 S+ 0 0 158 -2,-0.4 -1,-0.1 2,-0.1 3,-0.0 0.928 118.0 22.6 -58.1 -42.6 101.4 44.3 149.9 565 584 A E T >4 S+ 0 0 115 1,-0.1 3,-1.6 2,-0.1 4,-0.5 0.958 123.5 47.7 -85.9 -71.7 99.4 47.5 150.2 566 585 A Q T 34 S+ 0 0 110 1,-0.3 4,-0.3 2,-0.2 -2,-0.1 0.232 105.1 65.4 -68.5 13.5 95.6 46.8 149.9 567 586 A K T 3< S+ 0 0 22 -4,-0.5 -1,-0.3 2,-0.1 -2,-0.1 -0.029 105.7 39.1-117.7 30.7 96.1 44.0 152.4 568 587 A L S < S+ 0 0 75 -3,-1.6 -2,-0.2 3,-0.1 2,-0.1 0.521 105.4 63.9-177.0 21.4 97.0 46.3 155.4 569 588 A R S > S+ 0 0 143 -4,-0.5 3,-3.1 2,-0.1 5,-0.3 0.842 105.3 43.1 30.8-133.3 95.0 48.6 154.6 570 589 A D T 3 S+ 0 0 12 -4,-0.3 -65,-0.2 1,-0.3 6,-0.1 0.497 111.7 57.7 -54.7 -4.7 92.2 46.1 155.3 571 590 A L T > >S+ 0 0 37 2,-0.1 3,-2.8 4,-0.1 5,-1.6 0.918 102.9 53.4 -72.3 -47.4 93.9 44.9 158.4 572 591 A K T < 5S+ 0 0 162 -3,-3.1 -2,-0.1 1,-0.4 -1,-0.1 0.619 109.3 45.3 -47.9 -64.6 94.0 48.3 160.0 573 592 A R T 3 5S+ 0 0 154 1,-0.2 -1,-0.4 2,-0.2 -2,-0.1 -0.218 103.5 62.8 97.5 -60.3 90.8 49.0 159.8 574 593 A S T < 5S- 0 0 25 -3,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 -0.040 102.3-124.9-111.2 26.9 89.7 45.6 161.0 575 594 A A T 5 + 0 0 64 1,-0.1 -3,-0.2 -68,-0.0 -2,-0.2 0.635 64.2 150.3 45.2 18.3 91.4 46.3 164.4 576 595 A A < - 0 0 12 -5,-1.6 2,-0.3 -6,-0.1 -1,-0.1 -0.245 31.2-166.0 -86.0 162.9 93.2 43.0 163.6 577 596 A E - 0 0 40 -3,-0.1 -69,-1.5 -72,-0.1 2,-0.2 -0.988 1.6-165.3-151.2 164.9 96.6 41.6 164.5 578 597 A V - 0 0 28 -2,-0.3 -71,-0.1 -71,-0.2 -70,-0.1 -0.754 24.2-152.0-137.0 166.7 99.0 38.8 163.5 579 598 A I S S+ 0 0 1 -68,-0.2 2,-0.4 -2,-0.2 -542,-0.3 0.339 81.1 58.1-124.9 5.5 102.2 36.8 164.4 580 599 A E 0 0 55 -69,-0.1 -1,-0.2 -543,-0.1 -69,-0.0 -0.958 360.0 360.0-140.5 118.6 103.6 35.7 161.0 581 600 A W 0 0 164 -2,-0.4 -2,-0.1 -3,-0.1 0, 0.0 0.138 360.0 360.0-105.0 360.0 104.6 38.0 158.2 582 ! 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 0.0 583 611 A V > 0 0 93 0, 0.0 4,-1.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -16.5 97.2 27.8 144.9 584 612 A R H > + 0 0 134 1,-0.2 4,-0.8 2,-0.1 30,-0.1 0.664 360.0 53.0 -38.7 -23.3 93.8 26.2 145.0 585 613 A N H >> S+ 0 0 109 2,-0.2 4,-2.2 1,-0.1 3,-0.8 0.953 89.5 61.8 -93.5 -57.7 95.5 22.9 144.4 586 614 A D H 3> S+ 0 0 56 1,-0.3 4,-2.3 2,-0.2 -2,-0.1 0.880 107.1 56.5 -40.4 -41.9 98.3 22.2 146.9 587 615 A L H 3X S+ 0 0 0 -4,-1.1 4,-3.2 2,-0.2 -1,-0.3 0.925 104.7 47.5 -54.4 -52.8 95.4 22.4 149.3 588 616 A I H < S+ 0 0 2 -4,-2.5 3,-1.3 1,-0.3 4,-0.4 0.942 111.7 36.7 -52.1 -60.1 95.4 13.5 154.6 595 623 A K H 3< S+ 0 0 76 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.599 101.9 75.1 -74.1 -10.9 92.6 11.0 154.0 596 624 A R H 3< S+ 0 0 183 -4,-1.7 3,-0.3 -3,-0.3 -1,-0.3 0.888 103.8 41.3 -59.6 -35.5 95.0 8.8 152.1 597 625 A K S << S+ 0 0 63 -3,-1.3 -2,-0.2 -4,-1.3 -1,-0.2 0.643 128.6 30.6 -85.8 -14.8 96.2 8.1 155.6 598 626 A M + 0 0 29 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 -0.411 56.1 150.5-156.2 69.2 92.7 7.9 157.1 599 627 A G S S+ 0 0 47 -3,-0.3 2,-2.1 1,-0.1 4,-0.1 -0.451 85.3 26.4 -64.6 165.9 89.7 6.7 155.2 600 628 A M S S+ 0 0 182 2,-0.4 2,-2.6 -2,-0.2 -1,-0.1 -0.439 107.3 69.6 81.6 -74.6 87.5 5.2 157.9 601 629 A R S S- 0 0 198 -2,-2.1 2,-0.3 -6,-0.1 -1,-0.2 -0.202 113.9 -68.8 -72.6 51.1 88.7 7.2 160.9 602 630 A E S S+ 0 0 38 -2,-2.6 -2,-0.4 2,-0.0 2,-0.1 -0.940 73.9 110.5 141.6-168.7 87.0 10.1 159.2 603 631 A G + 0 0 11 -2,-0.3 2,-1.2 -4,-0.1 -4,-0.1 -0.941 5.9 171.8-144.8 22.9 86.3 12.2 157.4 604 632 A A S S+ 0 0 69 1,-0.2 3,-0.4 2,-0.1 2,-0.1 -0.561 86.1 56.5 25.3 -77.8 83.6 12.6 154.9 605 633 A S + 0 0 16 -2,-1.2 -1,-0.2 1,-0.6 0, 0.0 -0.992 59.8 90.2 140.0 14.2 84.4 15.7 154.3 606 634 A I S > S+ 0 0 0 2,-0.1 4,-2.9 -2,-0.1 -1,-0.6 0.347 104.5 51.3 42.4-100.7 87.4 15.9 153.4 607 635 A D H > S+ 0 0 55 -3,-0.4 4,-2.9 1,-0.2 5,-0.2 0.971 105.9 52.9 -39.4 -75.3 85.0 15.4 150.5 608 636 A S H 4 S+ 0 0 74 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.795 117.8 38.9 -30.7 -48.1 82.8 18.2 151.7 609 637 A W H >> S+ 0 0 14 2,-0.2 3,-3.0 1,-0.1 4,-0.6 0.997 115.5 47.9 -72.6 -67.4 85.9 20.4 151.8 610 638 A L H >X S+ 0 0 13 -4,-2.9 3,-3.5 1,-0.3 4,-1.1 0.884 107.3 59.2 -28.8 -60.9 87.7 19.3 148.6 611 639 A E H 3< S+ 0 0 129 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.270 104.0 52.4 -66.5 12.9 84.4 19.6 146.7 612 640 A L H <4 S+ 0 0 42 -3,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.315 106.8 52.3-122.7 -8.0 84.4 23.3 147.7 613 641 A L H X< S+ 0 0 2 -3,-3.5 3,-4.2 -4,-0.6 2,-1.8 0.853 116.5 35.2 -82.6 -75.8 87.9 23.9 146.4 614 642 A R T 3< S+ 0 0 148 -4,-1.1 -1,-0.1 1,-0.3 -3,-0.1 -0.043 129.8 39.2 -73.1 38.9 87.3 22.4 142.9 615 643 A H T 3 0 0 159 -2,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.003 360.0 360.0-156.9 22.9 83.9 23.9 143.1 616 644 A L < 0 0 108 -3,-4.2 -3,-0.2 -6,-0.2 -4,-0.1 0.224 360.0 360.0 -28.0 360.0 85.2 27.0 144.9