==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REPLICATION 25-DEC-12 4IKA . COMPND 2 MOLECULE: 3DPOL; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ENTEROVIRUS 71; . AUTHOR C.CHEN,Y.X.WANG,Z.Y.LOU . 482 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 5 1.0 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 . 30 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 5 2 2 0 1 2 1 2 2 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 3 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 5 0 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 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 G 0 0 0 0, 0.0 63,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 145.5 8.9 43.8 -2.3 2 2 A E E -A 284 0A 76 282,-2.5 282,-2.1 61,-0.2 2,-0.2 -0.920 360.0-126.3-158.4 125.6 12.1 45.8 -1.9 3 3 A I E -A 283 0A 45 -2,-0.3 280,-0.2 280,-0.2 3,-0.1 -0.454 21.3-171.8 -63.3 130.9 13.3 49.3 -1.1 4 4 A Q E - 0 0 94 278,-2.5 2,-0.3 1,-0.3 -1,-0.2 0.841 60.5 -16.0 -95.0 -40.1 15.7 50.4 -3.8 5 5 A W E -A 282 0A 80 277,-0.8 277,-1.1 2,-0.0 2,-0.3 -0.981 49.0-143.3-158.6 167.3 16.9 53.7 -2.3 6 6 A V E +A 281 0A 77 -2,-0.3 275,-0.2 275,-0.2 273,-0.0 -0.996 18.5 173.7-137.6 142.7 16.4 56.4 0.4 7 7 A K E -A 280 0A 69 273,-2.4 273,-3.1 -2,-0.3 2,-0.1 -0.992 37.5-102.1-147.4 143.4 17.1 60.1 0.2 8 8 A P E >> -A 279 0A 41 0, 0.0 4,-1.4 0, 0.0 3,-1.0 -0.412 31.3-121.1 -61.4 143.4 16.4 63.0 2.5 9 9 A N H 3> S+ 0 0 9 269,-1.4 4,-3.0 1,-0.3 5,-0.2 0.780 116.4 66.8 -57.1 -24.5 13.4 65.1 1.6 10 10 A K H 34 S+ 0 0 200 268,-0.3 -1,-0.3 1,-0.2 269,-0.1 0.935 104.6 40.6 -57.6 -46.5 16.0 67.8 1.4 11 11 A E H <4 S+ 0 0 122 -3,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.708 123.1 39.0 -77.1 -23.5 17.6 66.1 -1.5 12 12 A T H < S- 0 0 47 -4,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.736 96.7-130.1 -99.1 -26.8 14.3 65.1 -3.2 13 13 A G < + 0 0 56 -4,-3.0 2,-0.1 1,-0.3 -3,-0.1 0.409 55.3 147.8 89.1 -2.1 12.2 68.2 -2.6 14 14 A R - 0 0 80 -5,-0.2 -1,-0.3 -6,-0.2 2,-0.3 -0.436 53.2-109.2 -68.4 138.3 9.3 66.1 -1.3 15 15 A L - 0 0 71 -2,-0.1 2,-0.1 -3,-0.1 107,-0.1 -0.492 31.8-143.6 -72.4 129.7 7.1 67.7 1.5 16 16 A S - 0 0 48 -2,-0.3 2,-0.4 262,-0.1 262,-0.2 -0.402 8.5-127.1 -87.2 168.2 7.5 66.2 5.0 17 17 A I - 0 0 57 260,-0.4 2,-1.2 -2,-0.1 105,-0.1 -0.975 6.8-146.7-119.6 130.2 4.8 65.7 7.5 18 18 A N + 0 0 147 -2,-0.4 -2,-0.0 104,-0.1 260,-0.0 -0.543 32.2 169.1 -95.2 69.7 5.1 67.0 11.1 19 19 A G - 0 0 50 -2,-1.2 -2,-0.0 1,-0.1 138,-0.0 -0.193 33.9-138.4 -72.9 169.6 3.2 64.4 13.1 20 20 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.810 21.6-137.4-101.6 -31.8 3.4 64.3 16.8 21 21 A T + 0 0 54 1,-0.3 2,-0.5 137,-0.1 22,-0.2 0.672 53.9 138.9 85.4 19.8 3.6 60.5 17.4 22 22 A R - 0 0 157 21,-0.1 -1,-0.3 2,-0.0 2,-0.2 -0.853 52.4-124.3-100.3 129.3 1.1 60.5 20.3 23 23 A T - 0 0 35 -2,-0.5 19,-0.0 1,-0.1 20,-0.0 -0.482 5.0-151.3 -74.7 139.8 -1.4 57.7 20.5 24 24 A K + 0 0 137 -2,-0.2 2,-0.5 2,-0.0 -1,-0.1 0.426 66.1 109.8 -84.9 0.0 -5.1 58.6 20.6 25 25 A L - 0 0 10 379,-0.1 381,-0.2 382,-0.0 -2,-0.1 -0.682 45.2-179.1 -88.9 123.4 -5.7 55.4 22.6 26 26 A E E -F 405 0B 80 379,-2.9 379,-2.3 -2,-0.5 2,-0.2 -0.858 37.9 -98.8-117.7 147.7 -6.7 55.7 26.3 27 27 A P E -F 404 0B 71 0, 0.0 377,-0.3 0, 0.0 2,-0.1 -0.550 49.0-136.9 -63.8 132.4 -7.4 52.9 28.8 28 28 A S > - 0 0 13 375,-2.4 3,-3.1 -2,-0.2 4,-0.3 -0.290 26.8 -91.2 -89.9 174.3 -11.2 52.7 29.0 29 29 A V T 3 S+ 0 0 74 1,-0.3 3,-0.1 2,-0.1 413,-0.1 0.624 131.6 47.1 -63.1 -12.2 -13.5 52.3 32.0 30 30 A F T 3> S+ 0 0 2 372,-0.5 4,-2.3 1,-0.1 3,-0.5 0.216 78.9 117.6-108.3 12.7 -13.2 48.6 31.5 31 31 A H T <4 S+ 0 0 35 -3,-3.1 -2,-0.1 1,-0.3 -1,-0.1 0.896 90.7 19.9 -47.8 -54.7 -9.5 48.8 31.2 32 32 A D T 4 S+ 0 0 139 -4,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.397 114.6 74.5-101.4 4.6 -8.7 46.7 34.3 33 33 A V T 4 S+ 0 0 47 -3,-0.5 2,-0.2 2,-0.0 -2,-0.2 0.840 100.1 42.3 -76.2 -41.6 -12.2 45.1 34.3 34 34 A F S < S- 0 0 14 -4,-2.3 2,-0.3 365,-0.1 365,-0.0 -0.700 91.9-110.3-102.4 163.1 -11.5 42.8 31.4 35 35 A E + 0 0 169 -2,-0.2 2,-0.3 2,-0.0 368,-0.1 -0.729 50.5 126.7 -98.4 143.8 -8.3 40.9 30.8 36 36 A G - 0 0 17 -2,-0.3 361,-0.0 364,-0.1 360,-0.0 -0.963 42.5-149.3-177.6 162.9 -5.7 41.6 28.1 37 37 A N + 0 0 84 -2,-0.3 128,-0.6 2,-0.0 2,-0.3 0.013 61.9 105.1-138.1 29.0 -2.0 42.3 27.4 38 38 A K E +G 164 0C 39 126,-0.2 126,-0.2 362,-0.1 124,-0.1 -0.753 38.8 171.7-105.5 158.3 -2.1 44.5 24.3 39 39 A E E -G 163 0C 67 124,-2.1 124,-3.1 -2,-0.3 122,-0.1 -0.957 44.4 -50.6-155.7 172.3 -1.4 48.3 24.2 40 40 A P E -G 162 0C 13 0, 0.0 122,-0.2 0, 0.0 3,-0.1 -0.113 64.6-107.7 -50.7 134.8 -0.8 51.1 21.7 41 41 A A - 0 0 2 120,-2.7 2,-0.4 118,-0.2 127,-0.1 -0.181 41.3 -87.4 -58.2 155.4 1.7 50.4 19.0 42 42 A V - 0 0 0 125,-0.2 -1,-0.1 1,-0.1 131,-0.1 -0.545 45.5-177.6 -65.2 122.5 5.1 52.1 19.0 43 43 A L + 0 0 18 -2,-0.4 2,-0.3 -22,-0.2 115,-0.2 0.692 58.3 27.8-103.9 -22.1 4.7 55.3 17.2 44 44 A H S > S- 0 0 43 -23,-0.1 3,-1.4 -24,-0.0 -1,-0.1 -0.916 83.5-101.3-143.2 167.8 8.2 56.8 17.1 45 45 A S T 3 S+ 0 0 41 -2,-0.3 9,-0.4 1,-0.3 -3,-0.0 0.580 113.2 48.8 -70.2 -11.7 11.8 55.7 17.3 46 46 A K T 3 + 0 0 138 7,-0.1 -1,-0.3 8,-0.0 4,-0.0 0.380 66.9 147.4-112.2 3.3 12.4 56.5 21.0 47 47 A D X - 0 0 22 -3,-1.4 3,-2.2 1,-0.2 -5,-0.1 -0.143 54.6-128.3 -41.3 125.3 9.4 54.8 22.6 48 48 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.631 105.2 64.2 -55.4 -14.5 10.8 53.6 26.0 49 49 A R T 3 S+ 0 0 75 119,-0.0 2,-0.4 2,-0.0 122,-0.1 0.529 75.2 112.5 -93.4 -6.2 9.4 50.2 25.2 50 50 A L < - 0 0 31 -3,-2.2 119,-0.2 1,-0.1 120,-0.1 -0.518 38.0-179.8 -72.3 122.3 11.6 49.5 22.2 51 51 A E S S+ 0 0 141 118,-2.1 2,-0.3 -2,-0.4 -1,-0.1 0.225 73.6 39.8 -97.6 11.5 14.2 46.7 22.5 52 52 A V S S- 0 0 64 117,-0.4 2,-0.5 0, 0.0 119,-0.1 -0.923 99.5 -76.3-147.0 171.2 15.2 47.5 18.9 53 53 A D > - 0 0 89 -2,-0.3 4,-1.8 1,-0.2 -7,-0.1 -0.662 42.2-150.8 -68.3 119.5 15.9 50.1 16.3 54 54 A F H >> S+ 0 0 0 -2,-0.5 4,-2.0 -9,-0.4 3,-0.8 0.992 91.6 46.3 -57.1 -71.5 12.4 51.2 15.2 55 55 A E H 3> S+ 0 0 47 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.869 111.2 57.3 -41.9 -46.6 13.1 52.2 11.5 56 56 A Q H 3> S+ 0 0 132 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.958 110.8 42.2 -40.3 -60.3 15.0 49.0 11.3 57 57 A A H X< S+ 0 0 15 -4,-1.8 3,-1.6 -3,-0.8 4,-0.4 0.939 107.6 57.5 -63.1 -55.2 11.9 47.1 12.3 58 58 A L H >< S+ 0 0 8 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.836 113.8 40.4 -41.8 -44.2 9.3 48.9 10.3 59 59 A F H >< S+ 0 0 43 -4,-1.8 3,-1.5 -5,-0.3 -1,-0.3 0.491 84.4 92.2 -95.2 -1.2 11.1 48.1 7.1 60 60 A S T << S+ 0 0 80 -3,-1.6 -1,-0.2 -4,-0.7 -2,-0.1 0.750 73.5 76.8 -59.4 -20.9 12.2 44.5 7.7 61 61 A K T < S+ 0 0 59 -3,-0.5 2,-2.1 -4,-0.4 -1,-0.3 0.789 71.8 83.7 -62.3 -29.6 8.9 43.5 6.0 62 62 A Y < + 0 0 29 -3,-1.5 -59,-0.2 1,-0.2 -1,-0.2 -0.539 57.9 170.2 -76.5 78.2 10.5 44.3 2.6 63 63 A V - 0 0 101 -2,-2.1 -1,-0.2 1,-0.2 2,-0.2 0.412 45.3-108.0 -78.2 -0.9 12.1 40.9 2.4 64 64 A G - 0 0 12 -63,-2.5 2,-0.4 175,-0.3 -1,-0.2 -0.536 35.7 -64.4 108.9-170.6 13.1 41.4 -1.2 65 65 A N + 0 0 23 -2,-0.2 287,-0.1 1,-0.1 3,-0.1 -0.973 32.9 173.0-130.5 123.6 12.2 40.2 -4.7 66 66 A T S S+ 0 0 64 -2,-0.4 2,-0.4 285,-0.4 286,-0.1 0.853 70.4 26.0 -96.9 -38.0 12.4 36.7 -6.2 67 67 A L - 0 0 52 284,-0.3 177,-1.5 1,-0.1 -1,-0.2 -0.958 48.0-179.0-123.1 145.0 10.7 36.7 -9.7 68 68 A Y S S+ 0 0 124 -2,-0.4 -1,-0.1 1,-0.4 179,-0.1 0.516 76.9 29.9-113.4 -14.9 10.3 39.8 -11.9 69 69 A E S S- 0 0 143 178,-0.1 -1,-0.4 177,-0.0 175,-0.2 -0.993 92.9 -93.5-148.5 144.3 8.4 38.0 -14.7 70 70 A P - 0 0 17 0, 0.0 2,-0.0 0, 0.0 175,-0.0 -0.164 26.4-146.9 -62.1 138.6 6.0 35.0 -14.8 71 71 A D > - 0 0 34 1,-0.0 4,-0.9 -4,-0.0 5,-0.1 -0.033 45.6 -86.2 -78.5-163.6 7.1 31.4 -15.4 72 72 A E H > S+ 0 0 133 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.871 127.7 57.9 -75.4 -36.4 4.7 29.1 -17.3 73 73 A Y H > S+ 0 0 35 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.885 107.6 46.2 -62.1 -41.6 2.9 28.1 -14.1 74 74 A I H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.768 113.1 50.5 -73.1 -27.4 2.0 31.7 -13.2 75 75 A K H X S+ 0 0 113 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.936 109.1 49.0 -74.2 -47.5 0.9 32.4 -16.8 76 76 A E H X S+ 0 0 116 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.851 114.9 49.0 -58.6 -32.9 -1.4 29.3 -16.9 77 77 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 -5,-0.2 5,-0.2 0.885 106.1 53.1 -76.1 -43.1 -2.8 30.5 -13.6 78 78 A A H X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.879 110.1 50.9 -59.5 -38.9 -3.4 34.1 -14.6 79 79 A L H X S+ 0 0 73 -4,-2.1 4,-3.8 2,-0.2 -2,-0.2 0.925 106.6 51.6 -65.4 -48.7 -5.4 32.8 -17.6 80 80 A H H X S+ 0 0 19 -4,-1.6 4,-3.2 2,-0.2 -2,-0.2 0.910 113.1 44.7 -58.6 -44.6 -7.7 30.5 -15.7 81 81 A Y H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.967 115.0 48.8 -62.5 -49.3 -8.6 33.2 -13.2 82 82 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.936 113.0 48.4 -53.3 -51.9 -9.1 35.7 -16.1 83 83 A N H >X S+ 0 0 62 -4,-3.8 3,-1.4 1,-0.2 4,-0.7 0.977 109.8 50.7 -51.0 -60.0 -11.2 33.1 -17.9 84 84 A Q H >< S+ 0 0 12 -4,-3.2 3,-0.7 1,-0.3 -1,-0.2 0.861 108.7 54.0 -47.5 -40.4 -13.3 32.4 -14.8 85 85 A L H >< S+ 0 0 2 -4,-2.7 3,-2.7 1,-0.2 5,-0.3 0.824 89.9 77.7 -64.7 -31.8 -13.8 36.2 -14.5 86 86 A K H X< S+ 0 0 90 -4,-1.6 3,-2.5 -3,-1.4 -1,-0.2 0.849 82.0 64.8 -47.1 -44.6 -15.1 36.5 -18.0 87 87 A Q T << S+ 0 0 131 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.1 0.632 89.8 70.2 -59.3 -11.6 -18.6 35.1 -17.1 88 88 A L T < S- 0 0 36 -3,-2.7 -1,-0.3 -4,-0.2 -2,-0.2 0.651 94.2-140.7 -79.2 -15.0 -19.0 38.2 -14.9 89 89 A E < - 0 0 184 -3,-2.5 -2,-0.1 -4,-0.3 -3,-0.1 0.931 27.6-157.2 52.7 50.0 -19.4 40.5 -18.0 90 90 A I - 0 0 27 -5,-0.3 2,-0.9 -4,-0.2 -1,-0.2 -0.349 18.4-114.9 -66.8 132.9 -17.3 43.2 -16.2 91 91 A N - 0 0 78 102,-0.2 103,-0.3 1,-0.2 102,-0.2 -0.526 33.0-177.8 -71.4 104.4 -17.7 46.8 -17.3 92 92 A T + 0 0 56 -2,-0.9 167,-0.4 101,-0.1 2,-0.2 0.514 47.5 103.3 -85.2 -7.0 -14.3 47.6 -18.7 93 93 A S S S- 0 0 62 1,-0.1 100,-0.2 165,-0.1 165,-0.0 -0.499 81.2 -90.1 -84.3 147.9 -15.1 51.2 -19.6 94 94 A Q - 0 0 124 -2,-0.2 2,-0.3 1,-0.1 96,-0.2 -0.100 38.2-122.6 -55.3 147.1 -14.0 54.2 -17.5 95 95 A M - 0 0 1 94,-3.0 -1,-0.1 93,-0.1 97,-0.0 -0.643 26.5-104.9 -88.1 145.7 -16.1 55.6 -14.6 96 96 A S > - 0 0 56 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.376 28.3-123.6 -59.3 146.7 -17.3 59.1 -14.3 97 97 A M H > S+ 0 0 24 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.890 111.8 59.7 -59.1 -38.9 -15.3 61.1 -11.8 98 98 A E H > S+ 0 0 80 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.936 109.8 40.8 -57.3 -47.8 -18.5 61.9 -10.0 99 99 A E H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.930 113.9 54.0 -64.7 -47.5 -19.2 58.1 -9.5 100 100 A A H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.857 121.0 31.2 -54.2 -39.2 -15.6 57.5 -8.6 101 101 A C H < S+ 0 0 2 -4,-2.9 9,-2.1 -5,-0.2 -2,-0.2 0.874 129.6 32.8 -89.3 -39.8 -15.6 60.2 -5.9 102 102 A Y H < S- 0 0 21 -4,-3.6 7,-0.5 -5,-0.3 -3,-0.2 0.541 102.8-129.2-104.8 -5.6 -19.2 60.1 -4.7 103 103 A G < - 0 0 4 -4,-2.5 2,-0.3 -5,-0.3 5,-0.2 -0.256 12.0-132.1 98.2 178.3 -20.1 56.4 -5.0 104 104 A T B > -H 107 0D 40 3,-3.4 3,-1.2 -4,-0.1 2,-0.6 -0.851 49.8 -71.9-152.5-179.7 -22.8 54.3 -6.5 105 105 A E T 3 S+ 0 0 165 -2,-0.3 95,-0.1 1,-0.2 3,-0.1 -0.828 131.4 24.3 -80.1 126.4 -24.7 51.3 -5.0 106 106 A N T 3 S+ 0 0 69 -2,-0.6 93,-0.3 93,-0.1 -1,-0.2 0.576 120.1 64.9 87.0 13.3 -21.9 48.7 -5.0 107 107 A L B < S-H 104 0D 6 -3,-1.2 -3,-3.4 92,-0.1 2,-0.2 -0.695 80.1-144.7-160.5 106.1 -19.1 51.3 -4.9 108 108 A E - 0 0 168 -5,-0.2 -5,-0.3 -2,-0.2 3,-0.1 -0.483 25.9 -97.1 -81.8 146.4 -19.0 53.4 -1.8 109 109 A A - 0 0 54 -7,-0.5 -7,-0.2 -2,-0.2 -8,-0.1 -0.074 50.6 -84.4 -57.5 154.2 -17.9 57.1 -1.8 110 110 A I - 0 0 18 -9,-2.1 2,-0.7 -10,-0.1 -1,-0.1 -0.397 54.1-104.2 -61.4 135.4 -14.3 58.1 -0.9 111 111 A D > - 0 0 77 1,-0.2 3,-1.5 -3,-0.1 -1,-0.1 -0.470 29.2-167.6 -70.2 108.4 -14.0 58.3 2.8 112 112 A L T 3 S+ 0 0 49 -2,-0.7 16,-0.4 1,-0.3 15,-0.2 0.634 82.7 70.6 -68.8 -7.4 -14.0 62.0 3.8 113 113 A H T 3 S+ 0 0 173 14,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.278 92.0 64.2 -95.9 8.5 -12.8 60.8 7.3 114 114 A T S < S- 0 0 70 -3,-1.5 13,-0.3 1,-0.1 2,-0.0 -0.807 96.0 -71.4-126.4 173.5 -9.3 59.7 6.2 115 115 A S - 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0 0 16 -2,-0.7 -16,-0.1 28,-0.6 32,-0.1 -0.700 39.8-106.1 -73.7 128.7 -15.0 36.6 16.6 394 394 A P >> - 0 0 54 0, 0.0 4,-1.2 0, 0.0 3,-0.7 -0.245 17.5-132.8 -59.6 139.6 -12.9 35.2 19.4 395 395 A M H 3> S+ 0 0 32 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.848 104.7 66.4 -62.7 -30.4 -13.9 36.7 22.8 396 396 A R H 3> S+ 0 0 133 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.845 101.0 47.1 -58.7 -38.5 -10.2 37.2 23.4 397 397 A E H <> S+ 0 0 59 -3,-0.7 4,-1.6 2,-0.2 -1,-0.3 0.837 112.6 50.3 -70.2 -34.5 -10.0 39.8 20.7 398 398 A I H X S+ 0 0 3 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.891 111.0 48.7 -72.3 -39.6 -13.2 41.4 22.1 399 399 A H H X S+ 0 0 42 -4,-3.2 4,-0.9 2,-0.2 3,-0.3 0.943 111.0 49.8 -59.3 -53.1 -11.6 41.5 25.6 400 400 A E H < S+ 0 0 7 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.883 113.1 49.9 -49.8 -41.2 -8.4 43.0 24.2 401 401 A S H >< S+ 0 0 40 -4,-1.6 3,-1.1 1,-0.2 -1,-0.2 0.823 101.7 57.4 -74.3 -35.3 -10.6 45.6 22.4 402 402 A I H 3< S+ 0 0 1 -4,-1.8 -372,-0.5 -3,-0.3 -1,-0.2 0.689 91.4 72.4 -74.1 -17.0 -12.8 46.8 25.3 403 403 A R T 3< S+ 0 0 21 -4,-0.9 -375,-2.4 -3,-0.5 2,-0.3 0.567 100.6 42.9 -79.2 -8.3 -9.9 47.8 27.5 404 404 A W E < -F 27 0B 23 -3,-1.1 2,-0.3 -377,-0.3 -379,-0.1 -0.870 57.4-175.0-134.1 169.2 -9.1 50.9 25.4 405 405 A T E -F 26 0B 14 -379,-2.3 -379,-2.9 -2,-0.3 3,-0.2 -0.953 27.0-150.5-163.0 139.7 -10.8 53.8 23.5 406 406 A K S S+ 0 0 120 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.590 98.8 32.2 -85.8 -10.3 -9.7 56.7 21.3 407 407 A D > - 0 0 44 -381,-0.1 3,-1.8 1,-0.1 -1,-0.3 -0.873 62.1-160.8-150.2 116.8 -12.7 58.6 22.6 408 408 A A G > S+ 0 0 81 -2,-0.3 3,-0.6 1,-0.3 -379,-0.1 0.648 92.8 65.5 -70.0 -15.0 -14.2 58.4 26.1 409 409 A R G 3 S+ 0 0 205 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.637 93.9 65.3 -75.9 -12.4 -17.4 60.0 25.0 410 410 A N G <> + 0 0 73 -3,-1.8 4,-1.8 1,-0.2 -1,-0.2 -0.087 58.5 116.7-110.2 35.7 -18.0 56.9 22.8 411 411 A T H <> S+ 0 0 25 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.812 75.0 52.8 -77.5 -30.3 -18.4 54.2 25.4 412 412 A Q H > S+ 0 0 66 -3,-0.4 4,-2.2 2,-0.2 5,-0.2 0.978 115.1 38.9 -69.0 -54.7 -22.0 53.3 24.4 413 413 A D H > S+ 0 0 101 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.873 115.1 56.2 -61.1 -37.6 -21.4 52.9 20.7 414 414 A H H X S+ 0 0 48 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.957 110.7 42.5 -60.1 -50.2 -18.1 51.2 21.5 415 415 A V H X S+ 0 0 3 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.900 111.4 51.3 -67.9 -44.4 -19.7 48.5 23.7 416 416 A R H X S+ 0 0 108 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.844 107.5 55.9 -67.9 -26.9 -22.7 47.7 21.6 417 417 A S H X S+ 0 0 68 -4,-1.6 4,-0.7 -5,-0.2 -1,-0.2 0.891 108.2 47.3 -64.2 -41.3 -20.4 47.2 18.6 418 418 A L H X S+ 0 0 9 -4,-1.4 4,-1.8 1,-0.2 3,-0.2 0.819 111.1 52.1 -70.4 -28.3 -18.5 44.7 20.6 419 419 A C H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.920 101.8 58.7 -74.6 -39.4 -21.7 43.1 21.6 420 420 A L H < S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.745 114.7 39.3 -59.0 -20.3 -22.9 42.8 17.9 421 421 A L H < S+ 0 0 59 -4,-0.7 -28,-0.6 -3,-0.2 3,-0.3 0.782 114.3 53.6 -95.3 -30.1 -19.7 40.8 17.5 422 422 A A H >< S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.851 92.3 65.2 -79.0 -39.0 -19.9 38.8 20.7 423 423 A W G >< S+ 0 0 9 -4,-2.2 3,-2.4 1,-0.3 7,-0.2 0.781 86.1 74.3 -61.4 -28.3 -23.3 37.2 20.7 424 424 A H G 3 S+ 0 0 4 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.704 83.5 70.1 -56.5 -20.7 -22.5 35.1 17.7 425 425 A N G < S- 0 0 30 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.529 118.3 -87.1 -74.5 -9.6 -20.3 33.0 20.1 426 426 A G <> - 0 0 11 -3,-2.4 4,-2.3 -4,-0.1 3,-0.4 -0.136 35.2 -83.8 116.2 150.7 -23.5 31.6 21.8 427 427 A K H > S+ 0 0 95 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.874 120.4 56.6 -50.3 -46.9 -25.8 32.6 24.6 428 428 A Q H > S+ 0 0 166 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.862 115.8 35.2 -60.0 -39.6 -23.7 31.1 27.4 429 429 A E H > S+ 0 0 72 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.753 113.8 58.1 -86.9 -28.5 -20.6 33.1 26.5 430 430 A Y H X S+ 0 0 1 -4,-2.3 4,-2.7 -7,-0.2 -2,-0.2 0.910 108.4 46.8 -66.2 -40.9 -22.6 36.2 25.5 431 431 A E H X S+ 0 0 76 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.842 109.5 54.1 -68.3 -33.4 -24.1 36.3 29.0 432 432 A K H X S+ 0 0 137 -4,-0.8 4,-1.1 -5,-0.2 -1,-0.2 0.804 110.6 47.3 -71.1 -31.5 -20.7 35.8 30.5 433 433 A F H >X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 3,-0.6 0.973 114.5 44.6 -66.3 -60.6 -19.5 38.7 28.6 434 434 A V H 3X S+ 0 0 11 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.805 109.6 57.2 -54.8 -33.2 -22.5 41.0 29.5 435 435 A S H 3< S+ 0 0 74 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.889 108.1 44.8 -73.9 -35.8 -22.3 39.9 33.1 436 436 A T H X< S+ 0 0 44 -4,-1.1 3,-0.5 -3,-0.6 -2,-0.2 0.802 114.3 51.0 -76.4 -29.8 -18.7 41.0 33.5 437 437 A I H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 6,-0.3 0.931 111.4 47.0 -62.0 -48.2 -19.6 44.3 31.7 438 438 A R T 3< S+ 0 0 100 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.377 90.4 88.5 -78.4 7.4 -22.6 44.7 34.1 439 439 A S T < S+ 0 0 65 -3,-0.5 -1,-0.3 -5,-0.1 -2,-0.1 0.195 84.9 60.0 -87.4 18.1 -20.1 43.9 36.9 440 440 A V S X> S- 0 0 28 -3,-0.6 4,-1.2 1,-0.1 3,-0.6 -0.998 89.0-118.4-150.9 137.7 -19.3 47.6 37.1 441 441 A P H >> S+ 0 0 92 0, 0.0 4,-1.0 0, 0.0 3,-0.6 0.847 114.7 50.9 -50.8 -41.5 -21.5 50.7 37.8 442 442 A V H >> S+ 0 0 68 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.889 106.9 55.5 -61.4 -41.5 -20.8 52.2 34.4 443 443 A G H <4 S+ 0 0 0 -3,-0.6 -1,-0.2 -6,-0.3 -5,-0.1 0.727 104.1 53.5 -64.2 -23.2 -21.7 49.0 32.7 444 444 A R H << S+ 0 0 142 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.774 101.8 57.6 -85.6 -23.6 -25.1 48.9 34.3 445 445 A A H << S+ 0 0 91 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.689 93.7 98.9 -72.9 -19.0 -25.9 52.4 33.1 446 446 A L S < S- 0 0 25 -4,-0.7 2,-0.9 1,-0.1 -34,-0.0 -0.436 78.3-126.4 -78.2 141.0 -25.3 51.1 29.7 447 447 A A - 0 0 68 -2,-0.2 -1,-0.1 2,-0.0 -2,-0.1 -0.771 34.7-173.0 -77.6 107.3 -28.0 50.0 27.2 448 448 A I - 0 0 19 -2,-0.9 -32,-0.0 -4,-0.1 -36,-0.0 -0.923 24.5-116.6-113.0 122.9 -26.8 46.5 26.3 449 449 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.195 31.3-117.5 -58.6 141.3 -28.6 44.6 23.5 450 450 A N >> - 0 0 73 1,-0.1 4,-2.7 4,-0.0 3,-0.7 -0.638 15.4-125.5 -90.8 136.3 -30.4 41.3 24.5 451 451 A Y H 3> S+ 0 0 27 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.834 104.8 42.7 -42.7 -62.7 -29.4 37.9 23.2 452 452 A E H 3> S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.793 115.6 52.1 -64.7 -26.9 -32.6 36.5 21.7 453 453 A N H <> S+ 0 0 85 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.923 108.7 49.4 -71.2 -45.9 -33.4 39.9 20.2 454 454 A L H X S+ 0 0 16 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.956 113.6 47.7 -52.0 -50.6 -30.0 40.1 18.6 455 455 A R H X S+ 0 0 31 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.935 107.7 54.4 -58.3 -52.5 -30.5 36.6 17.2 456 456 A R H X S+ 0 0 122 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.934 107.5 50.3 -44.3 -58.3 -34.1 37.3 15.9 457 457 A N H < S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.889 110.3 50.8 -49.1 -45.2 -32.8 40.3 13.9 458 458 A W H >< S+ 0 0 5 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.912 105.8 54.6 -61.2 -44.6 -30.1 38.1 12.4 459 459 A L H >< S+ 0 0 25 -4,-2.9 3,-2.2 1,-0.3 -1,-0.2 0.909 99.6 62.5 -54.4 -40.4 -32.7 35.4 11.5 460 460 A E T 3< S+ 0 0 130 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.579 88.9 71.7 -65.2 -7.1 -34.6 38.1 9.6 461 461 A L T < 0 0 90 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.571 360.0 360.0 -83.1 -9.7 -31.6 38.5 7.4 462 462 A F < 0 0 122 -3,-2.2 -2,-0.2 -4,-0.2 -1,-0.2 0.581 360.0 360.0-115.9 360.0 -32.2 35.2 5.7 463 !* 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 0.0 464 1 D G 0 0 26 0, 0.0 -143,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-153.7 -14.3 27.4 -12.2 465 2 D A + 0 0 9 1,-0.4 3,-0.1 -145,-0.3 -142,-0.1 -0.039 360.0 85.0 172.2 -49.9 -15.6 25.8 -9.0 466 3 D Y S S- 0 0 187 1,-0.2 -1,-0.4 -144,-0.1 2,-0.1 0.062 93.5 -41.4 -62.7-178.5 -19.0 24.3 -9.6 467 4 D S - 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