==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 21-FEB-07 2JH9 . 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) . 28674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 6.7 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 . 2 0.3 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 . 61 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 11.6 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 . 3 0.5 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 4 2 0 1 3 2 1 4 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 5 2 2 3 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 1 0 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 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 38 0, 0.0 543,-0.1 0, 0.0 431,-0.1 0.000 360.0 360.0 360.0 -58.8 98.7 17.9 176.0 2 3 A E + 0 0 84 542,-0.1 542,-0.1 485,-0.1 485,-0.0 0.465 360.0 114.3-145.3 -41.9 101.7 20.1 175.1 3 4 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 43,-0.1 0.002 44.3-174.3 -49.2 144.3 100.5 23.8 175.4 4 5 A H - 0 0 14 60,-0.2 2,-0.4 41,-0.1 42,-0.1 -0.778 23.8-119.2-129.6 175.8 102.3 25.7 178.1 5 6 A A - 0 0 0 -2,-0.3 42,-2.3 481,-0.1 2,-0.7 -0.944 21.1-130.7-108.6 143.1 102.3 29.0 179.9 6 7 A V E -ab 47 66A 0 59,-1.9 61,-3.1 -2,-0.4 2,-1.7 -0.853 23.0-147.6 -76.2 114.3 105.3 31.3 179.9 7 8 A L E -ab 48 67A 7 40,-5.5 42,-1.4 -2,-0.7 2,-0.5 -0.630 19.7-164.0 -90.3 82.8 105.5 32.0 183.6 8 9 A Y E -ab 49 68A 13 -2,-1.7 61,-3.8 59,-1.7 2,-0.3 -0.557 7.5-172.3 -74.7 121.8 106.8 35.5 183.3 9 10 A V E - b 0 69A 0 40,-2.5 42,-0.3 -2,-0.5 61,-0.2 -0.838 21.4-117.5-110.6 147.3 108.3 37.0 186.5 10 11 A T >> - 0 0 15 59,-1.2 3,-2.8 -2,-0.3 4,-0.6 -0.470 39.8 -88.5 -86.0 163.7 109.4 40.6 187.1 11 12 A N G >4 S+ 0 0 124 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.717 120.3 55.2 -39.4 -54.4 113.0 41.6 187.9 12 13 A E G 34 S+ 0 0 59 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.710 110.5 49.7 -58.8 -20.8 113.1 41.4 191.6 13 14 A L G X> S+ 0 0 3 -3,-2.8 3,-1.2 1,-0.1 4,-0.7 0.743 83.7 94.8 -89.4 -25.4 112.0 37.8 191.4 14 15 A S H XX S+ 0 0 11 -3,-1.4 4,-1.0 -4,-0.6 3,-0.6 0.778 71.3 60.3 -42.9 -62.0 114.4 36.5 188.8 15 16 A H H 34 S+ 0 0 93 -4,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.752 100.8 55.3 -42.0 -42.5 117.3 34.9 190.8 16 17 A I H X4 S+ 0 0 4 -3,-1.2 3,-2.7 1,-0.2 4,-0.3 0.947 100.0 59.4 -58.7 -55.6 115.1 32.3 192.6 17 18 A V H X< S+ 0 0 1 -4,-0.7 3,-3.5 -3,-0.6 -1,-0.2 0.855 91.0 70.8 -33.3 -48.3 113.7 30.8 189.4 18 19 A K T 3< S+ 0 0 110 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.628 92.4 57.6 -60.0 -13.9 117.2 30.0 188.3 19 20 A D T < S+ 0 0 116 -3,-2.7 -1,-0.3 -4,-0.2 -2,-0.2 0.578 91.3 98.8 -84.1 -15.9 117.4 27.2 191.0 20 21 A G S < S- 0 0 16 -3,-3.5 4,-0.1 -4,-0.3 79,-0.0 0.343 77.8-124.6 -64.2-167.5 114.3 25.4 189.5 21 22 A F S S+ 0 0 204 2,-0.1 -1,-0.1 0, 0.0 -3,-0.1 0.391 82.8 92.1-121.5 -1.8 114.0 22.4 187.2 22 23 A L S S- 0 0 39 -5,-0.2 25,-0.1 1,-0.1 -2,-0.1 -0.519 88.4 -90.6 -82.0 154.7 111.9 24.2 184.6 23 24 A P - 0 0 44 0, 0.0 25,-1.9 0, 0.0 2,-0.5 -0.198 35.1-139.7 -61.9 158.1 113.4 26.0 181.6 24 25 A I E -c 48 0A 69 23,-0.2 2,-0.6 -4,-0.1 25,-0.2 -0.954 6.8-156.5-128.2 112.9 114.3 29.7 181.8 25 26 A W E -c 49 0A 6 23,-4.5 25,-1.6 -2,-0.5 2,-0.6 -0.792 13.5-157.0 -92.2 119.3 113.7 32.1 179.0 26 27 A K E -c 50 0A 143 -2,-0.6 2,-0.2 23,-0.2 25,-0.2 -0.869 9.6-158.0-104.3 118.6 115.9 35.1 179.1 27 28 A L - 0 0 8 23,-2.3 2,-0.2 -2,-0.6 26,-0.1 -0.710 22.8-174.7-111.3 167.4 115.0 38.5 177.4 28 29 A T - 0 0 65 -2,-0.2 2,-1.7 24,-0.2 23,-0.0 -0.729 46.0-109.4 97.3 73.4 116.5 41.2 176.3 29 30 A G S S+ 0 0 21 -2,-0.2 2,-0.1 1,-0.2 24,-0.1 0.188 100.1 75.5 -60.8 22.8 114.1 43.9 175.1 30 31 A D + 0 0 126 -2,-1.7 2,-0.2 2,-0.1 -1,-0.2 -0.559 46.7 121.9-173.3 101.4 115.1 43.2 171.4 31 32 A E - 0 0 35 1,-0.2 2,-0.2 -2,-0.1 -4,-0.0 -0.304 59.4-127.6 52.0 109.1 114.0 40.6 170.1 32 33 A S >> - 0 0 65 -2,-0.2 4,-0.8 1,-0.0 3,-0.5 -0.468 35.5 -97.0 -93.5 178.0 112.0 41.3 167.0 33 34 A L H >> S+ 0 0 38 1,-0.2 4,-1.4 2,-0.2 3,-0.9 0.926 124.9 48.9 -72.1 -46.1 108.4 39.8 166.9 34 35 A N H 3> S+ 0 0 72 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.510 101.9 70.5 -70.3 -2.7 109.2 36.6 164.9 35 36 A D H <> S+ 0 0 61 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.868 98.3 46.3 -74.0 -39.9 112.0 36.2 167.5 36 37 A L H < S+ 0 0 63 -4,-1.6 3,-3.5 1,-0.2 4,-0.3 0.994 110.0 54.0 -69.4 -62.2 112.0 30.8 170.8 40 41 A N H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.774 99.4 68.2 -45.7 -31.1 108.7 30.3 172.6 41 42 A G T 3< S+ 0 0 7 -4,-1.1 477,-0.4 -5,-0.4 -1,-0.3 0.432 84.5 70.7 -69.3 0.5 108.3 27.3 170.4 42 43 A K T < S+ 0 0 125 -3,-3.5 2,-0.6 476,-0.1 -1,-0.2 0.710 79.3 88.4 -86.6 -21.3 111.2 25.4 172.0 43 44 A Y < + 0 0 42 -3,-1.3 -39,-0.1 -4,-0.3 4,-0.1 -0.703 43.0 176.4 -93.9 116.9 109.5 24.8 175.3 44 45 A A S S+ 0 0 62 -2,-0.6 2,-0.2 2,-0.1 -1,-0.2 0.702 76.4 39.8 -84.8 -23.0 107.4 21.6 175.7 45 46 A T S S- 0 0 71 1,-0.2 -41,-0.1 -41,-0.1 -43,-0.0 -0.505 109.5 -68.7-105.6-176.6 106.6 22.3 179.5 46 47 A D - 0 0 43 -2,-0.2 2,-0.3 -42,-0.1 -1,-0.2 -0.275 57.7-153.8 -64.1 158.0 105.8 25.6 181.2 47 48 A V E -a 6 0A 0 -42,-2.3 -40,-5.5 -25,-0.1 2,-0.4 -0.950 15.3-122.6-137.5 162.0 108.6 28.1 181.4 48 49 A Y E -ac 7 24A 2 -25,-1.9 -23,-4.5 -2,-0.3 2,-0.4 -0.825 29.2-174.0 -98.7 140.1 110.0 31.0 183.3 49 50 A A E +ac 8 25A 0 -42,-1.4 -40,-2.5 -2,-0.4 2,-0.3 -0.999 8.1 167.2-135.9 137.8 110.7 34.3 181.6 50 51 A Y E + c 0 26A 34 -25,-1.6 -23,-2.3 -2,-0.4 -40,-0.1 -0.927 31.7 64.6-141.2 169.6 112.3 37.6 182.7 51 52 A G S S- 0 0 10 -42,-0.3 -23,-0.2 -2,-0.3 -26,-0.0 -0.159 85.4 -22.6 97.7 164.7 113.6 40.8 181.2 52 53 A D + 0 0 76 1,-0.1 -24,-0.2 -2,-0.1 -2,-0.1 -0.072 48.0 157.8 -56.3 129.7 112.0 43.7 179.2 53 54 A V + 0 0 5 23,-0.2 3,-0.4 -26,-0.1 25,-0.2 -0.217 32.0 122.8-140.3 42.4 108.7 43.3 177.4 54 55 A S + 0 0 50 1,-0.2 -1,-0.0 23,-0.1 -2,-0.0 0.626 66.5 69.4 -83.0 -10.4 107.5 46.9 177.1 55 56 A K S S+ 0 0 146 23,-0.1 2,-0.2 22,-0.1 -1,-0.2 0.813 89.3 74.0 -72.5 -31.3 107.4 46.6 173.3 56 57 A W S S- 0 0 25 -3,-0.4 22,-1.9 1,-0.1 23,-0.5 -0.558 73.0-124.3-101.8 149.3 104.4 44.1 173.2 57 58 A T > - 0 0 19 21,-0.2 4,-2.0 -2,-0.2 -1,-0.1 -0.272 27.8-114.3 -77.2 169.3 100.7 44.3 173.7 58 59 A I H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.953 115.7 53.9 -71.2 -50.6 98.7 42.2 176.1 59 60 A R H > S+ 0 0 2 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.840 111.0 49.7 -51.3 -39.0 96.8 40.3 173.5 60 61 A Q H > S+ 0 0 22 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.941 111.5 47.2 -62.9 -48.9 100.2 39.4 172.0 61 62 A L H X>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 4,-0.6 0.784 112.0 49.6 -71.3 -26.7 101.5 38.3 175.3 62 63 A R H ><5S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.2 -1,-0.2 0.895 103.7 60.4 -75.5 -40.6 98.5 36.2 176.1 63 64 A G H 3<5S+ 0 0 3 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.756 105.0 51.4 -49.3 -24.2 98.8 34.6 172.6 64 65 A H H 3<5S- 0 0 6 -4,-0.7 -1,-0.2 -3,-0.1 -2,-0.2 0.752 123.1-101.0 -92.6 -22.1 102.2 33.4 173.7 65 66 A G T <<5 + 0 0 2 -3,-1.0 -59,-1.9 -4,-0.6 2,-0.3 0.527 60.8 167.8 112.3 18.3 101.1 31.8 177.0 66 67 A F E < +b 6 0A 4 -5,-2.1 2,-0.4 -61,-0.2 -1,-0.2 -0.496 16.2 179.7 -78.3 126.2 102.2 34.5 179.3 67 68 A I E -b 7 0A 0 -61,-3.1 -59,-1.7 -2,-0.3 2,-0.6 -0.988 26.0-131.7-115.4 138.0 101.2 34.6 182.9 68 69 A F E +b 8 0A 1 -2,-0.4 18,-2.7 15,-0.2 2,-0.5 -0.784 25.7 177.1-101.5 114.4 102.5 37.5 185.0 69 70 A I E +bd 9 86A 0 -61,-3.8 -59,-1.2 -2,-0.6 2,-0.3 -0.961 21.0 135.8-115.2 131.4 104.1 36.9 188.3 70 71 A S E - d 0 87A 1 16,-1.7 18,-2.3 -2,-0.5 5,-0.0 -0.938 56.8-124.1-159.7 170.0 105.5 39.8 190.2 71 72 A T S S+ 0 0 26 -2,-0.3 2,-0.1 16,-0.2 19,-0.1 0.746 94.0 70.7 -91.6 -29.4 105.5 41.3 193.7 72 73 A H S S- 0 0 111 2,-0.1 16,-0.1 1,-0.1 12,-0.1 -0.461 94.3-110.1 -87.5 161.3 104.1 44.6 192.5 73 74 A K S S+ 0 0 110 -2,-0.1 11,-2.5 10,-0.1 2,-0.3 0.733 88.6 7.8 -65.7 -29.4 100.4 45.0 191.4 74 75 A N E -E 83 0B 66 9,-0.3 2,-0.4 11,-0.0 9,-0.2 -0.970 58.8-137.3-151.8 164.4 101.1 45.6 187.7 75 76 A V E -E 82 0B 19 7,-1.3 7,-0.8 -2,-0.3 2,-0.7 -0.964 29.9-111.7-128.0 143.5 103.6 45.7 184.9 76 77 A Q E +E 81 0B 114 -2,-0.4 -23,-0.2 5,-0.2 5,-0.2 -0.671 43.6 165.0 -82.3 112.6 104.1 48.2 182.1 77 78 A L - 0 0 7 3,-1.4 -20,-0.2 -2,-0.7 -23,-0.1 -0.268 46.2-108.4-102.9-165.7 103.2 46.8 178.6 78 79 A A S S+ 0 0 53 -22,-1.9 -21,-0.2 -25,-0.2 -22,-0.1 0.827 112.6 45.9 -96.3 -42.8 102.6 48.6 175.3 79 80 A D S S- 0 0 48 -23,-0.5 2,-0.2 1,-0.1 -22,-0.1 0.987 128.6 -41.0 -59.1 -67.0 98.8 48.0 175.0 80 81 A I - 0 0 62 400,-0.1 -3,-1.4 401,-0.0 2,-0.7 -0.672 68.7 -76.7-149.9-165.2 97.9 49.0 178.6 81 82 A I E -E 76 0B 97 -2,-0.2 -5,-0.2 -5,-0.2 400,-0.0 -0.856 55.7-149.0-117.8 91.2 99.0 48.6 182.2 82 83 A K E -E 75 0B 0 -7,-0.8 -7,-1.3 -2,-0.7 2,-0.6 -0.232 13.2-117.4 -69.5 144.3 98.1 45.0 183.2 83 84 A T E -E 74 0B 41 398,-0.3 -9,-0.3 -9,-0.2 -15,-0.2 -0.723 41.4-110.1 -76.0 117.6 97.1 43.7 186.6 84 85 A V - 0 0 8 -11,-2.5 3,-0.2 -2,-0.6 -15,-0.1 -0.248 21.6-143.6 -44.6 126.2 99.7 41.1 187.6 85 86 A D S S+ 0 0 7 -17,-0.4 2,-0.6 1,-0.2 -16,-0.2 0.935 87.6 29.6 -61.7 -52.3 98.1 37.6 187.5 86 87 A V E S-d 69 0A 1 -18,-2.7 -16,-1.7 2,-0.0 2,-0.8 -0.940 72.7-160.7-116.2 108.0 99.9 36.2 190.5 87 88 A R E -d 70 0A 143 -2,-0.6 -16,-0.2 -3,-0.2 -14,-0.1 -0.809 14.2-144.1 -85.5 113.0 100.9 38.6 193.2 88 89 A I - 0 0 1 -18,-2.3 2,-0.1 -2,-0.8 5,-0.1 -0.632 21.6-121.1 -72.4 125.0 103.6 37.1 195.3 89 90 A P >> - 0 0 55 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.481 21.5-118.1 -66.7 142.2 103.2 38.1 199.0 90 91 A R G >4 S+ 0 0 187 1,-0.3 3,-2.9 2,-0.2 4,-0.4 0.928 112.8 45.3 -39.4 -71.5 106.2 40.0 200.4 91 92 A E G 34 S+ 0 0 165 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.573 110.3 58.5 -58.2 -12.2 107.1 37.5 203.2 92 93 A V G <4 S+ 0 0 47 -3,-1.4 -1,-0.3 2,-0.1 5,-0.2 0.455 108.1 44.6 -98.4 -5.4 106.6 34.7 200.7 93 94 A A S S+ 0 0 21 -2,-0.5 4,-1.8 2,-0.2 -1,-0.1 0.813 93.6 48.1 -75.0 -26.8 111.9 28.0 195.2 99 100 A K H > S+ 0 0 150 2,-0.2 4,-3.4 3,-0.2 5,-0.4 0.977 107.3 50.9 -74.0 -59.4 109.2 25.6 196.3 100 101 A A H > S+ 0 0 37 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.863 114.9 47.7 -43.6 -42.6 107.1 28.0 198.4 101 102 A F H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -1,-0.3 0.950 112.5 46.9 -65.3 -52.4 107.1 30.2 195.4 102 103 A E H X S+ 0 0 70 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.914 113.7 47.3 -58.7 -47.9 106.2 27.3 193.0 103 104 A N H X S+ 0 0 90 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.844 109.9 56.2 -61.2 -34.6 103.4 26.1 195.2 104 105 A E H X S+ 0 0 41 -4,-1.8 4,-1.6 -5,-0.4 -2,-0.2 0.904 106.1 49.3 -65.0 -41.1 102.3 29.8 195.4 105 106 A I H X S+ 0 0 6 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.976 110.2 52.4 -59.3 -50.0 102.0 30.0 191.7 106 107 A G H X S+ 0 0 30 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.921 106.5 50.4 -49.4 -59.6 100.0 26.7 191.6 107 108 A R H X S+ 0 0 151 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.901 113.9 44.3 -44.6 -55.3 97.4 27.7 194.1 108 109 A R H >X S+ 0 0 95 -4,-1.6 4,-1.7 1,-0.2 3,-1.0 0.933 110.1 55.8 -61.3 -47.6 96.7 31.1 192.3 109 110 A R H 3X S+ 0 0 39 -4,-2.7 4,-0.7 1,-0.3 3,-0.3 0.891 105.8 52.0 -51.5 -44.2 96.7 29.4 188.9 110 111 A I H 3< S+ 0 0 88 -4,-2.8 3,-0.4 1,-0.2 4,-0.3 0.796 107.1 53.1 -63.0 -28.2 94.0 27.1 190.3 111 112 A R H X< S+ 0 0 176 -4,-1.2 3,-0.7 -3,-1.0 4,-0.4 0.780 99.0 65.5 -75.4 -25.3 92.0 30.2 191.3 112 113 A M H >X S+ 0 0 6 -4,-1.7 4,-1.4 -3,-0.3 3,-0.7 0.700 77.4 82.7 -72.0 -23.1 92.3 31.5 187.8 113 114 A R H 3X S+ 0 0 62 -4,-0.7 4,-2.1 -3,-0.4 3,-0.5 0.931 87.8 56.9 -43.2 -49.5 90.1 28.7 186.3 114 115 A K H <> S+ 0 0 138 -3,-0.7 4,-2.2 -4,-0.3 -1,-0.2 0.851 100.1 56.4 -57.1 -38.4 87.0 30.7 187.4 115 116 A G H <> S+ 0 0 17 -3,-0.7 4,-2.1 -4,-0.4 -1,-0.2 0.892 108.7 47.3 -60.3 -41.8 88.0 33.9 185.4 116 117 A F H X S+ 0 0 2 -4,-1.4 4,-1.7 -3,-0.5 -1,-0.2 0.939 115.8 44.1 -64.3 -46.9 88.3 31.9 182.2 117 118 A G H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.773 111.9 53.9 -71.7 -25.6 84.9 30.2 182.8 118 119 A D H X S+ 0 0 37 -4,-2.2 4,-3.8 -5,-0.3 -1,-0.2 0.928 104.7 54.4 -71.7 -43.2 83.3 33.4 183.8 119 120 A A H X S+ 0 0 8 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.909 112.9 42.4 -58.9 -44.2 84.4 35.1 180.7 120 121 A L H >X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 3,-0.9 0.973 116.9 45.7 -65.6 -56.7 82.7 32.4 178.6 121 122 A R H 3X S+ 0 0 21 -4,-2.2 4,-2.1 1,-0.3 -2,-0.2 0.902 109.4 57.6 -50.0 -45.7 79.6 32.2 180.7 122 123 A N H 3X S+ 0 0 74 -4,-3.8 4,-0.9 1,-0.2 -1,-0.3 0.786 108.8 44.1 -64.5 -29.6 79.5 36.0 180.7 123 124 A Y H XX S+ 0 0 2 -4,-1.3 4,-1.4 -3,-0.9 3,-0.6 0.940 110.8 56.4 -71.1 -51.7 79.3 36.2 177.0 124 125 A A H 3X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.3 -2,-0.2 0.743 102.4 54.4 -52.9 -34.1 76.8 33.4 176.9 125 126 A F H >< S+ 0 0 26 -4,-2.1 3,-0.5 1,-0.2 -1,-0.3 0.908 109.3 48.7 -68.5 -39.8 74.4 35.3 179.2 126 127 A K H << S+ 0 0 156 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.790 122.9 33.1 -64.0 -30.3 74.5 38.2 176.8 127 128 A M H 3< S+ 0 0 61 -4,-1.4 2,-0.3 -5,-0.0 -1,-0.2 0.262 111.5 50.8-117.6 11.3 73.9 35.9 173.8 128 129 A A << - 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0 0 91 -16,-0.1 2,-0.4 7,-0.1 -2,-0.1 -0.193 65.2-131.2 -55.2 151.9 49.3 40.0 212.7 240 241 A M - 0 0 116 -17,-0.2 2,-0.7 -16,-0.1 -17,-0.1 -0.926 25.9-122.2-108.8 139.6 49.4 36.4 213.9 241 242 A V + 0 0 9 -2,-0.4 3,-0.1 1,-0.2 -19,-0.0 -0.755 52.0 139.7-104.1 114.5 48.5 33.7 211.3 242 243 A D S S+ 0 0 113 -2,-0.7 2,-0.3 1,-0.1 -1,-0.2 0.375 72.9 20.2-121.2 -4.4 45.7 31.2 211.7 243 244 A S S > S- 0 0 36 1,-0.1 3,-0.8 42,-0.0 4,-0.2 -0.975 76.2-103.9-154.9 173.2 44.3 31.3 208.1 244 245 A K T >> S+ 0 0 81 -2,-0.3 4,-2.3 1,-0.2 3,-1.9 0.785 112.4 69.6 -66.7 -28.5 44.8 32.1 204.4 245 246 A K H 3> S+ 0 0 157 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.764 89.8 63.1 -65.3 -23.2 42.6 35.3 204.8 246 247 A D H <4 S+ 0 0 32 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.669 113.9 32.9 -68.1 -20.6 45.5 36.7 207.0 247 248 A I H X4 S+ 0 0 0 -3,-1.9 3,-1.6 -4,-0.2 -2,-0.2 0.723 104.8 69.4-109.2 -34.7 47.7 36.6 203.9 248 249 A L H >< S+ 0 0 59 -4,-2.3 3,-0.6 1,-0.3 -3,-0.1 0.818 88.7 64.5 -55.6 -39.9 45.3 37.3 200.9 249 250 A K T 3< S+ 0 0 168 -4,-0.9 -1,-0.3 1,-0.3 2,-0.1 0.566 100.0 58.6 -64.9 -3.5 44.7 40.9 201.9 250 251 A H T < S+ 0 0 41 -3,-1.6 2,-0.3 2,-0.0 -1,-0.3 -0.474 89.6 89.0-124.0 56.6 48.4 41.4 201.1 251 252 A M < - 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0 0 126 -2,-0.6 3,-0.1 1,-0.1 -3,-0.1 -0.159 18.7-124.0 -59.3 158.2 88.1 43.1 179.3 480 487 A K S S+ 0 0 60 -5,-0.2 -1,-0.1 1,-0.2 -9,-0.1 0.846 109.9 54.2 -62.7 -36.9 91.7 43.3 178.1 481 488 A D S S+ 0 0 54 2,-0.1 -398,-0.3 -399,-0.1 -1,-0.2 0.613 75.2 131.9 -85.0 -15.5 92.9 43.2 181.8 482 489 A L - 0 0 42 -3,-0.1 2,-0.5 1,-0.1 -397,-0.1 0.039 56.7-127.5 -29.6 135.4 91.0 40.0 182.8 483 490 A T + 0 0 40 -399,-0.1 2,-0.3 -398,-0.1 -1,-0.1 -0.864 46.7 139.9 -93.9 128.0 93.3 37.5 184.7 484 491 A Y - 0 0 0 -2,-0.5 -371,-0.1 -369,-0.1 -372,-0.1 -0.909 52.4-104.1-153.2 179.5 93.3 34.0 183.3 485 492 A D >> - 0 0 11 -373,-0.3 4,-2.9 -2,-0.3 3,-1.0 -0.805 21.4-168.5-119.4 93.2 95.5 30.9 182.5 486 493 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -22,-0.3 0.801 88.2 55.5 -44.9 -41.9 96.2 30.5 178.8 487 494 A A H 34 S+ 0 0 9 2,-0.2 -485,-0.1 1,-0.2 -23,-0.1 0.888 114.3 40.4 -62.9 -39.8 97.7 27.0 179.3 488 495 A W H X4 S+ 0 0 24 -3,-1.0 3,-2.5 1,-0.2 -1,-0.2 0.898 109.7 57.1 -72.7 -43.0 94.4 25.9 180.9 489 496 A A H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.3 -26,-0.7 0.901 101.6 62.3 -52.8 -32.9 92.3 27.8 178.5 490 497 A M T 3< S+ 0 0 23 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.423 84.4 73.4 -80.6 3.6 94.1 25.7 175.9 491 498 A N T < S+ 0 0 16 -3,-2.5 -60,-3.0 -59,-0.1 -59,-1.4 0.373 93.5 69.8 -91.6 0.5 92.7 22.5 177.3 492 499 A F E < -I 430 0C 1 -3,-1.5 -29,-2.4 -62,-0.3 2,-0.5 -0.877 67.5-146.6-120.2 151.7 89.4 23.3 175.8 493 500 A A E -IK 429 462C 0 -64,-2.2 -64,-3.7 -2,-0.3 2,-0.3 -0.946 27.0-166.8-106.6 138.3 87.9 23.5 172.4 494 501 A V E -IK 428 461C 1 -33,-3.3 -33,-2.1 -2,-0.5 2,-0.4 -0.938 6.9-161.6-127.6 145.0 85.4 26.3 172.3 495 502 A S E -IK 427 460C 0 -68,-2.4 -68,-1.9 -2,-0.3 2,-0.4 -0.995 6.0-171.8-138.2 132.3 82.8 27.0 169.6 496 503 A L E -IK 426 459C 0 -37,-1.3 2,-1.9 -2,-0.4 -37,-1.8 -0.979 31.3-125.8-129.8 128.1 80.9 30.2 169.0 497 504 A K E + K 0 458C 99 -72,-2.9 -39,-0.2 -2,-0.4 -40,-0.1 -0.558 66.8 131.8 -68.7 85.4 78.0 31.0 166.7 498 505 A E - 0 0 19 -2,-1.9 -2,-0.1 -41,-1.3 -73,-0.0 -0.986 57.0-112.5-144.8 133.0 79.9 33.9 165.1 499 506 A P - 0 0 79 0, 0.0 -42,-0.1 0, 0.0 3,-0.1 -0.071 38.9 -98.9 -52.5 155.6 80.5 35.1 161.5 500 507 A I - 0 0 32 -44,-0.2 -43,-0.0 1,-0.1 -44,-0.0 -0.718 52.5 -96.4 -76.6 128.1 84.0 35.0 159.9 501 508 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 73,-0.0 -0.062 37.4-116.7 -40.3 139.7 85.6 38.5 160.1 502 509 A D S S+ 0 0 145 1,-0.4 -2,-0.0 2,-0.1 0, 0.0 -0.934 113.6 28.6-127.4 106.7 85.2 40.7 157.0 503 510 A P S S- 0 0 19 0, 0.0 2,-3.5 0, 0.0 -1,-0.4 0.424 101.8-135.1 -84.9 140.4 88.0 41.1 155.9 504 511 A P - 0 0 8 0, 0.0 -2,-0.1 0, 0.0 55,-0.0 -0.206 32.8-173.9 -61.5 56.1 89.2 37.8 157.4 505 512 A V - 0 0 1 -2,-3.5 2,-1.7 65,-0.2 5,-0.1 -0.161 35.1-112.9 -55.1 143.3 92.5 39.3 158.9 506 513 A P + 0 0 15 0, 0.0 5,-0.4 0, 0.0 -1,-0.1 -0.049 52.2 174.1 -76.9 42.5 94.9 36.7 160.4 507 514 A D >> - 0 0 0 -2,-1.7 3,-2.9 3,-0.1 4,-1.8 0.008 46.3-104.4 -51.1 148.9 94.4 38.0 164.0 508 515 A I T 34 S+ 0 0 0 69,-2.7 70,-0.1 1,-0.3 -1,-0.1 0.836 116.9 71.5 -42.8 -45.5 96.0 36.2 167.0 509 516 A S T 34 S+ 0 0 0 -41,-0.2 -1,-0.3 68,-0.2 -47,-0.2 0.811 116.4 26.5 -43.8 -30.1 92.7 34.7 168.0 510 517 A L T <4 S+ 0 0 0 -3,-2.9 2,-0.8 1,-0.2 3,-0.3 0.889 122.2 48.0 -94.5 -61.5 93.2 32.6 164.9 511 518 A C < + 0 0 7 -4,-1.8 -1,-0.2 -5,-0.4 68,-0.2 -0.762 62.6 109.8-100.3 108.1 96.9 32.4 164.2 512 519 A R + 0 0 7 -2,-0.8 -1,-0.2 -3,-0.1 -3,-0.1 0.513 29.8 171.0-131.8 -57.6 99.3 31.5 167.1 513 520 A F > - 0 0 5 -3,-0.3 3,-1.0 1,-0.1 2,-0.1 0.833 23.2-158.4 43.2 58.6 100.7 28.0 166.4 514 521 A I T 3 + 0 0 29 1,-0.2 -1,-0.1 -451,-0.1 -476,-0.1 -0.411 66.6 3.4 -72.7 137.3 103.3 27.8 169.1 515 522 A G T 3> S+ 0 0 11 -478,-0.5 4,-3.5 -2,-0.1 -1,-0.2 0.768 79.4 147.4 66.2 30.2 106.2 25.3 168.8 516 523 A L H <> + 0 0 15 -3,-1.0 4,-2.0 1,-0.2 -2,-0.1 0.818 68.4 54.5 -70.7 -27.2 105.1 24.3 165.5 517 524 A R H > S+ 0 0 182 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 110.9 43.6 -72.0 -45.7 108.6 23.7 164.4 518 525 A V H > S+ 0 0 60 -477,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.956 114.1 53.6 -57.0 -50.6 109.2 21.4 167.3 519 526 A E H X S+ 0 0 13 -4,-3.5 4,-1.6 1,-0.2 -2,-0.2 0.794 108.2 49.7 -51.8 -36.6 105.8 19.9 166.5 520 527 A S H X S+ 0 0 25 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.933 108.4 49.7 -72.8 -48.8 106.8 19.2 162.9 521 528 A S H X S+ 0 0 63 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.822 109.9 53.4 -60.1 -34.2 110.2 17.5 163.6 522 529 A V H X S+ 0 0 56 -4,-1.9 4,-1.8 2,-0.2 3,-0.5 0.953 103.7 55.4 -63.8 -49.5 108.4 15.2 166.0 523 530 A L H X S+ 0 0 23 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.916 112.5 44.9 -43.1 -43.5 105.9 14.2 163.4 524 531 A R H < S+ 0 0 147 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.692 108.9 50.6 -89.3 -23.8 108.8 13.2 161.2 525 532 A V H < S+ 0 0 116 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.726 124.8 29.2 -80.2 -22.4 111.0 11.3 163.6 526 533 A R H < S+ 0 0 214 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.806 139.7 3.9-108.1 -40.7 108.0 9.1 164.8 527 534 A N S < S+ 0 0 90 -4,-2.7 -2,-0.1 -5,-0.4 -1,-0.1 -0.522 80.6 179.9-151.3 76.2 105.5 8.8 162.0 528 535 A P 0 0 69 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.159 360.0 360.0 -72.3-175.2 106.8 10.5 158.8 529 536 A T 0 0 119 -5,-0.0 -5,-0.0 68,-0.0 -6,-0.0 0.500 360.0 360.0-132.4 360.0 105.3 10.9 155.3 530 ! 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 0 162 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 23.3 105.7 25.4 153.1 532 551 A L H > + 0 0 54 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.689 360.0 52.7 -69.4 -19.7 102.1 26.4 153.6 533 552 A S H > S+ 0 0 39 2,-0.2 4,-2.1 3,-0.1 3,-0.5 0.957 109.9 43.3 -77.2 -60.1 101.1 22.9 152.6 534 553 A G H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.836 112.0 60.5 -51.6 -34.7 103.3 21.0 155.1 535 554 A H H X S+ 0 0 37 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.911 105.0 43.4 -60.2 -47.7 102.1 23.7 157.6 536 555 A L H X S+ 0 0 2 -4,-1.1 4,-1.6 -3,-0.5 -2,-0.2 0.926 114.7 50.7 -67.9 -45.9 98.4 22.8 157.3 537 556 A Y H >X S+ 0 0 19 -4,-2.1 4,-2.8 2,-0.2 3,-0.5 0.952 108.0 52.8 -50.5 -57.2 99.2 19.0 157.5 538 557 A V H 3X S+ 0 0 14 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.929 104.9 53.7 -50.0 -52.6 101.4 19.4 160.5 539 558 A T H 3X S+ 0 0 3 -4,-1.8 4,-0.7 1,-0.2 6,-0.5 0.825 114.6 42.2 -61.4 -33.6 98.7 21.2 162.5 540 559 A L H X< S+ 0 0 1 -4,-1.6 3,-0.7 -3,-0.5 -93,-0.4 0.956 114.6 48.2 -67.2 -55.3 96.2 18.5 161.9 541 560 A M H 3< S+ 0 0 28 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.906 108.2 55.9 -58.1 -44.1 98.6 15.5 162.4 542 561 A S H 3< S- 0 0 27 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.798 82.2-156.9 -55.6 -35.8 99.9 16.9 165.7 543 562 A G << + 0 0 12 -4,-0.7 -97,-0.3 -3,-0.7 -1,-0.1 0.779 63.3 115.8 55.9 24.1 96.5 17.2 167.3 544 563 A A + 0 0 8 -5,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.217 66.5 50.7-104.3 5.7 98.3 19.8 169.4 545 564 A Y - 0 0 12 -6,-0.5 2,-0.5 -5,-0.1 -95,-0.2 -0.980 55.0-162.6-148.0 139.2 96.1 22.7 168.1 546 565 A V + 0 0 1 -2,-0.3 -84,-1.1 -54,-0.1 2,-0.3 -0.990 32.4 146.0-109.1 120.0 92.5 23.7 167.6 547 566 A T - 0 0 5 -2,-0.5 2,-1.3 -86,-0.2 -86,-0.1 -0.903 55.2 -84.3-141.7 178.4 92.0 26.6 165.3 548 567 A D > - 0 0 0 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 -0.632 31.1-170.2 -96.8 87.4 89.3 27.5 162.8 549 568 A L H > S+ 0 0 3 -2,-1.3 4,-4.1 -99,-0.2 5,-0.2 0.814 84.0 52.1 -29.8 -58.1 89.8 25.9 159.4 550 569 A F H > S+ 0 0 36 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.956 115.0 37.1 -54.0 -66.0 87.1 27.9 157.6 551 570 A W H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.910 117.8 54.3 -53.3 -45.7 88.2 31.4 158.6 552 571 A W H >X S+ 0 0 12 -4,-2.9 4,-2.3 2,-0.2 3,-0.7 0.976 109.2 46.6 -53.2 -58.1 91.8 30.3 158.3 553 572 A F H 3X S+ 0 0 9 -4,-4.1 4,-1.8 -5,-0.2 3,-0.3 0.942 110.0 54.4 -47.0 -53.3 91.1 29.1 154.7 554 573 A K H 3< S+ 0 0 81 -4,-2.9 4,-0.4 1,-0.3 -1,-0.2 0.790 109.7 46.4 -60.0 -29.9 89.3 32.3 153.8 555 574 A M H <<>S+ 0 0 10 -4,-2.1 5,-1.8 -3,-0.7 4,-0.4 0.874 108.8 56.4 -77.2 -36.6 92.3 34.5 155.0 556 575 A I H <5S+ 0 0 14 -4,-2.3 4,-0.3 -3,-0.3 -2,-0.2 0.913 125.7 15.6 -56.8 -46.8 94.8 32.3 153.1 557 576 A L T <5S+ 0 0 39 -4,-1.8 -3,-0.1 2,-0.1 -2,-0.1 0.933 129.2 44.3 -95.2 -67.5 93.1 32.7 149.6 558 577 A D T 5S+ 0 0 75 -4,-0.4 -3,-0.1 -5,-0.2 -2,-0.1 0.392 133.5 18.4 -56.0 1.8 90.7 35.6 149.7 559 578 A W T 5S+ 0 0 4 -4,-0.4 2,-0.6 2,-0.2 3,-0.3 0.658 92.9 84.6-144.6 -48.6 93.4 37.6 151.6 560 579 A S S - 0 0 68 -2,-0.2 4,-0.9 -4,-0.1 0, 0.0 -0.932 22.5-127.0-138.2 146.3 99.1 43.0 149.1 564 583 A R T 4 S+ 0 0 157 -2,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.916 120.7 32.1 -41.7 -52.2 102.0 44.2 151.3 565 584 A E T >4 S+ 0 0 125 1,-0.2 3,-1.3 2,-0.1 2,-0.4 0.996 120.7 44.6 -68.7 -73.6 100.3 47.6 151.0 566 585 A Q T 34 S+ 0 0 108 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.168 106.4 63.2 -71.4 16.7 96.5 47.0 150.7 567 586 A K T 3< S+ 0 0 26 -4,-0.9 -1,-0.3 -2,-0.4 -2,-0.1 0.088 99.1 47.9-125.8 25.0 96.4 44.4 153.5 568 587 A L S < S+ 0 0 66 -3,-1.3 -2,-0.1 2,-0.1 2,-0.1 0.444 99.1 67.3-165.4 23.2 97.5 46.4 156.6 569 588 A R S > S+ 0 0 145 -4,-0.2 3,-3.1 2,-0.1 5,-0.3 0.777 100.5 45.4 45.2-129.2 95.4 48.7 155.8 570 589 A D T 3 S+ 0 0 16 -4,-0.3 -65,-0.2 1,-0.3 -2,-0.1 0.447 108.4 60.8 -62.3 4.9 92.7 46.2 156.6 571 590 A L T 3 >S+ 0 0 35 2,-0.2 5,-2.1 3,-0.1 -1,-0.3 0.731 101.2 51.0 -87.5 -26.4 94.4 45.2 159.8 572 591 A K T < 5S+ 0 0 168 -3,-3.1 -2,-0.1 1,-0.3 -1,-0.1 0.817 112.4 42.9 -80.5 -52.3 94.3 48.6 161.5 573 592 A R T 5S+ 0 0 169 -4,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.095 106.4 61.0 82.0 -79.8 91.1 49.2 161.1 574 593 A S T 5S- 0 0 25 -5,-0.3 -2,-0.3 2,-0.1 -3,-0.1 0.495 101.4-136.1 -78.3 -5.5 90.3 45.6 162.1 575 594 A A T 5 + 0 0 64 1,-0.2 -3,-0.2 -4,-0.0 2,-0.2 0.762 58.8 142.7 51.7 28.0 92.0 46.7 165.3 576 595 A A < - 0 0 13 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.2 -0.500 36.1-163.7 -96.3 162.2 93.6 43.3 165.0 577 596 A E - 0 0 38 -2,-0.2 -69,-2.7 -3,-0.1 -68,-0.2 -0.935 4.2-166.4-144.3 170.5 97.1 42.1 165.8 578 597 A V - 0 0 24 -2,-0.3 -71,-0.1 -71,-0.2 3,-0.1 -0.632 23.3-140.1-140.8 179.3 99.3 39.1 164.9 579 598 A I S S+ 0 0 0 -68,-0.2 2,-0.4 1,-0.2 -542,-0.3 0.426 79.0 60.5-131.1 -1.3 102.6 37.1 165.7 580 599 A E 0 0 57 1,-0.1 -1,-0.2 -69,-0.1 -69,-0.0 -0.945 360.0 360.0-137.6 118.1 104.1 35.9 162.4 581 600 A W 0 0 166 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.0 0.680 360.0 360.0-123.3 360.0 105.3 38.2 159.7 582 ! 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 95 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 -34.6 98.1 27.9 146.6 584 612 A R H 3> + 0 0 127 1,-0.2 4,-0.8 2,-0.2 -27,-0.0 0.679 360.0 54.7 -51.5 -23.4 94.6 26.4 146.5 585 613 A N H 3> S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.735 92.4 64.1 -91.2 -30.0 96.3 23.1 145.5 586 614 A D H <> S+ 0 0 59 -3,-0.8 4,-2.0 1,-0.2 -2,-0.2 0.922 105.9 49.3 -59.9 -41.9 98.9 22.7 148.3 587 615 A L H X S+ 0 0 0 -4,-1.0 4,-2.9 2,-0.2 5,-0.2 0.885 105.0 53.8 -68.4 -43.1 96.0 22.4 150.7 588 616 A I H X S+ 0 0 25 -4,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.941 112.7 46.9 -58.4 -41.8 94.0 19.8 148.7 589 617 A A H X S+ 0 0 51 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.898 109.4 55.8 -61.5 -40.5 97.2 17.7 148.8 590 618 A A H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.958 109.4 44.1 -59.2 -55.1 97.5 18.5 152.5 591 619 A L H X S+ 0 0 2 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.951 113.7 50.8 -51.2 -58.5 94.0 17.1 153.3 592 620 A R H X S+ 0 0 141 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.928 109.9 49.1 -45.9 -59.6 94.5 14.0 151.1 593 621 A E H >X S+ 0 0 66 -4,-2.8 4,-1.3 1,-0.2 3,-0.7 0.931 112.4 49.4 -46.7 -55.6 97.8 13.1 152.7 594 622 A Y H >X S+ 0 0 2 -4,-2.5 3,-0.9 1,-0.3 4,-0.7 0.909 113.4 44.7 -49.4 -53.3 96.2 13.5 156.1 595 623 A K H 3< S+ 0 0 82 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.697 104.7 64.4 -68.9 -20.4 93.2 11.3 155.2 596 624 A R H << S+ 0 0 191 -4,-2.2 3,-0.3 -3,-0.7 -1,-0.3 0.817 105.4 45.2 -69.3 -31.2 95.6 8.8 153.6 597 625 A K H << S+ 0 0 69 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.613 124.8 33.1 -86.8 -16.3 97.1 8.2 157.1 598 626 A M < + 0 0 30 -4,-0.7 2,-0.4 -5,-0.2 -1,-0.2 -0.646 59.2 162.7-149.9 86.6 93.7 8.0 158.7 599 627 A G S S+ 0 0 56 -3,-0.3 2,-0.8 -2,-0.2 4,-0.2 -0.822 81.9 15.0 -86.1 140.8 90.6 6.5 157.0 600 628 A M S S+ 0 0 186 -2,-0.4 2,-1.6 2,-0.4 -1,-0.1 -0.133 103.7 84.4 84.7 -37.5 87.9 5.7 159.6 601 629 A R S S- 0 0 192 -2,-0.8 2,-0.3 -6,-0.1 -1,-0.1 -0.660 118.6 -65.7 -79.3 73.8 89.5 7.7 162.4 602 630 A E S S+ 0 0 41 -2,-1.6 -2,-0.4 -3,-0.0 2,-0.2 -0.883 75.0 140.8 105.9-151.0 87.5 10.3 160.5 603 631 A G + 0 0 13 -2,-0.3 2,-1.7 -4,-0.2 5,-0.2 -0.925 21.9 126.3-107.9 -10.7 87.4 11.7 158.0 604 632 A A S > S+ 0 0 74 1,-0.2 3,-0.5 -2,-0.2 -152,-0.0 -0.584 88.7 49.6 42.2 -76.7 84.1 12.4 156.3 605 633 A S T 3 S+ 0 0 15 -2,-1.7 -1,-0.2 1,-0.6 -3,-0.0 -0.783 78.8 76.9 158.2 -12.5 85.0 15.5 156.0 606 634 A I T 3> S+ 0 0 1 2,-0.2 4,-3.7 3,-0.1 -1,-0.6 0.528 105.5 49.1 47.6-108.6 87.9 15.8 154.8 607 635 A D H <> S+ 0 0 64 -3,-0.5 4,-0.9 1,-0.3 -2,-0.4 0.632 109.3 56.4 -60.6 -10.9 85.8 15.0 151.7 608 636 A S H 4 S+ 0 0 72 -5,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.907 113.5 36.6 -78.7 -49.7 83.6 17.8 153.1 609 637 A W H >4 S+ 0 0 11 -3,-0.3 3,-1.2 1,-0.2 4,-0.3 0.844 114.5 57.4 -70.1 -36.4 86.5 20.3 153.1 610 638 A L H >X S+ 0 0 13 -4,-3.7 3,-2.9 1,-0.3 4,-1.5 0.967 102.1 52.0 -60.3 -54.0 88.0 18.9 149.9 611 639 A E T 3< S+ 0 0 144 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.362 108.4 57.2 -65.3 9.0 84.8 19.5 147.8 612 640 A L T <4 S+ 0 0 53 -3,-1.2 -1,-0.3 3,-0.2 3,-0.3 0.378 104.1 49.5-117.8 -8.9 85.0 23.0 149.1 613 641 A L T <4 S+ 0 0 5 -3,-2.9 2,-2.7 -4,-0.3 -2,-0.2 0.879 109.1 49.1 -87.8 -62.9 88.5 23.6 147.8 614 642 A R S < S+ 0 0 153 -4,-1.5 -1,-0.2 1,-0.2 -4,-0.0 -0.393 134.2 17.9 -73.8 61.3 87.9 22.4 144.2 615 643 A H 0 0 160 -2,-2.7 -1,-0.2 -3,-0.3 -3,-0.2 -0.298 360.0 360.0 172.9 -61.4 84.8 24.6 144.2 616 644 A L 0 0 100 -4,-0.0 -3,-0.1 -5,-0.0 -4,-0.1 0.971 360.0 360.0 35.5 360.0 85.2 27.1 147.1