==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 06-JAN-12 3VDX . COMPND 2 MOLECULE: DESIGNED 16NM TETRAHEDRAL PROTEIN CAGE CONTAINING . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AUREOFACIENS, INFLUENZA A . AUTHOR Y.-T.LAI,D.CASCIO,T.O.YEATES . 1314 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 888 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 69 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 148 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 478 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.6 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 3 1 7 6 2 4 2 7 7 6 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 6 2 0 4 5 4 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 . 2 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 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 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 P 0 0 44 0, 0.0 16,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 121.6 -41.7 28.8 19.5 2 2 A F E -A 16 0A 102 14,-0.2 2,-0.4 54,-0.0 14,-0.2 -0.859 360.0-155.0-127.0 159.3 -39.6 25.8 18.4 3 3 A I E -A 15 0A 10 12,-1.5 12,-2.0 -2,-0.3 2,-0.4 -0.973 20.9-130.5-136.1 121.6 -38.8 24.0 15.2 4 4 A T E +A 14 0A 81 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.554 31.7 166.7 -71.4 124.7 -37.8 20.3 15.0 5 5 A V E - 0 0 18 8,-2.5 2,-0.3 -2,-0.4 9,-0.1 0.244 61.1 -25.9-123.2 9.1 -34.6 19.9 12.9 6 6 A G E -A 13 0A 31 7,-0.7 7,-0.7 73,-0.0 2,-0.3 -0.974 63.4 -94.1 173.0-160.5 -33.7 16.3 13.8 7 7 A Q E -A 12 0A 125 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.978 15.9-169.7-153.5 135.0 -33.9 13.4 16.3 8 8 A E E > -A 11 0A 10 3,-2.9 3,-2.4 -2,-0.3 2,-0.2 -0.813 55.7 -79.4-131.2 93.0 -31.6 12.2 19.1 9 9 A N T 3 S- 0 0 83 -2,-0.4 -1,-0.1 1,-0.3 450,-0.1 -0.340 114.6 -4.4 57.1-115.7 -32.6 8.8 20.5 10 10 A S T 3 S+ 0 0 46 -2,-0.2 2,-0.3 448,-0.1 -1,-0.3 0.634 130.4 67.5 -82.3 -15.4 -35.5 9.3 22.9 11 11 A T E < S-A 8 0A 4 -3,-2.4 -3,-2.9 447,-0.3 2,-0.4 -0.775 75.4-132.5-110.1 150.9 -35.4 13.0 22.6 12 12 A S E -A 7 0A 40 -2,-0.3 2,-0.8 -5,-0.2 -5,-0.2 -0.800 21.1-124.4 -98.9 143.3 -36.2 15.3 19.6 13 13 A I E +A 6 0A 4 -7,-0.7 -8,-2.5 -2,-0.4 -7,-0.7 -0.779 37.3 176.8 -89.6 107.9 -33.9 18.1 18.6 14 14 A D E -A 4 0A 37 -2,-0.8 51,-2.7 -10,-0.2 2,-0.4 -0.854 18.2-146.4-113.3 148.0 -35.8 21.4 18.5 15 15 A L E -A 3 0A 0 -12,-2.0 -12,-1.5 -2,-0.3 2,-0.5 -0.946 15.6-128.2-117.0 131.8 -34.6 24.9 17.9 16 16 A Y E +A 2 0A 11 -2,-0.4 41,-2.9 41,-0.2 2,-0.3 -0.647 38.6 169.4 -77.8 120.9 -35.9 28.1 19.5 17 17 A Y E -B 56 0B 14 -16,-2.0 2,-0.3 -2,-0.5 39,-0.3 -0.932 20.2-151.6-131.8 155.8 -36.8 30.7 16.8 18 18 A E E -B 55 0B 8 37,-2.5 37,-0.8 -2,-0.3 2,-0.4 -0.946 0.6-159.5-128.0 151.3 -38.6 34.0 16.8 19 19 A D E +B 54 0B 1 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.983 19.3 169.7-133.1 121.4 -40.6 35.8 14.1 20 20 A H E -B 53 0B 5 33,-2.0 33,-1.2 -2,-0.4 -2,-0.0 -0.967 36.5 -6.1-135.6 147.3 -41.3 39.6 14.2 21 21 A G S S- 0 0 22 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 0.141 71.2 -85.4 69.5 177.7 -42.7 42.3 12.0 22 22 A T S S+ 0 0 117 29,-0.3 2,-0.3 25,-0.1 -1,-0.1 -0.989 76.7 50.6-129.5 136.9 -43.8 42.4 8.4 23 23 A G S S+ 0 0 46 -2,-0.4 28,-0.2 28,-0.1 27,-0.1 -0.985 94.0 6.3 143.2-153.0 -41.7 42.9 5.3 24 24 A V E S-c 51 0B 36 26,-0.6 28,-2.0 -2,-0.3 2,-0.1 -0.554 79.6-118.9 -69.1 116.7 -38.5 41.5 3.7 25 25 A P E -c 52 0B 13 0, 0.0 68,-2.0 0, 0.0 2,-0.5 -0.349 28.1-167.6 -62.1 127.7 -37.4 38.5 6.0 26 26 A V E -cd 53 93B 0 26,-3.9 28,-2.3 66,-0.2 2,-0.6 -0.928 7.7-153.8-121.2 106.3 -34.0 39.0 7.6 27 27 A V E -cd 54 94B 2 66,-3.1 68,-3.2 -2,-0.5 2,-0.6 -0.685 8.6-161.9 -82.5 117.1 -32.6 35.8 9.2 28 28 A L E -cd 55 95B 0 26,-2.7 28,-1.0 -2,-0.6 2,-0.6 -0.887 3.6-167.3-103.0 118.7 -30.1 36.7 12.0 29 29 A I E -cd 56 96B 0 66,-3.0 68,-1.3 -2,-0.6 71,-0.2 -0.921 12.3-146.5-110.6 119.9 -27.8 33.9 13.0 30 30 A H - 0 0 0 26,-0.6 67,-0.4 -2,-0.6 70,-0.3 0.030 9.2-133.3 -76.5-176.4 -25.9 34.3 16.2 31 31 A G > - 0 0 2 4,-0.2 3,-0.7 68,-0.2 67,-0.2 -0.574 44.2 -16.1-127.2-170.3 -22.4 33.2 17.2 32 32 A F T 3 S- 0 0 0 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.592 117.1 -13.0 -81.2 135.9 -20.4 31.5 20.0 33 33 A P T 3 S+ 0 0 2 0, 0.0 29,-0.3 0, 0.0 -1,-0.3 -0.830 114.1 76.5-111.8 32.2 -21.5 31.2 22.7 34 34 A L < - 0 0 10 -3,-0.7 2,-0.2 1,-0.1 28,-0.1 0.263 61.8-127.3 -82.7-155.1 -24.6 33.5 22.8 35 35 A S > - 0 0 5 26,-0.1 3,-1.5 -3,-0.1 -4,-0.2 -0.710 42.0 -69.2-141.9-166.7 -28.1 33.2 21.4 36 36 A G G > S+ 0 0 3 1,-0.3 3,-1.2 -2,-0.2 20,-0.0 0.675 118.5 72.3 -67.3 -17.8 -30.7 35.0 19.2 37 37 A H G > S+ 0 0 36 1,-0.3 3,-1.0 2,-0.1 -1,-0.3 0.495 76.9 79.9 -76.7 -3.3 -31.1 37.6 21.9 38 38 A S G < S+ 0 0 21 -3,-1.5 3,-0.3 1,-0.2 -1,-0.3 0.548 84.0 62.6 -79.3 -7.3 -27.7 39.0 21.0 39 39 A W G <> + 0 0 1 -3,-1.2 4,-4.5 1,-0.2 3,-0.4 0.277 64.7 120.4 -97.3 9.9 -29.3 40.8 18.0 40 40 A E T <4 S+ 0 0 18 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.531 79.4 42.2 -60.6 -6.8 -31.6 42.9 20.2 41 41 A R T > S+ 0 0 64 -3,-0.3 4,-1.4 219,-0.1 -1,-0.3 0.732 119.5 41.2-103.7 -36.4 -30.0 46.1 18.9 42 42 A Q H > S+ 0 0 1 -3,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.844 112.4 56.5 -74.9 -35.6 -29.9 45.1 15.2 43 43 A S H < S+ 0 0 5 -4,-4.5 4,-0.3 1,-0.2 -1,-0.2 0.553 106.0 54.5 -71.9 -7.6 -33.3 43.5 15.6 44 44 A A H > S+ 0 0 36 -5,-0.4 4,-1.6 -3,-0.3 -2,-0.2 0.887 108.4 42.5 -89.8 -49.3 -34.5 46.9 16.7 45 45 A A H X S+ 0 0 21 -4,-1.4 4,-0.9 1,-0.2 -2,-0.2 0.827 111.6 56.6 -68.0 -32.7 -33.4 49.1 13.8 46 46 A L H X>S+ 0 0 3 -4,-1.8 5,-2.3 1,-0.2 4,-0.8 0.831 108.1 47.8 -67.7 -32.9 -34.5 46.4 11.3 47 47 A L H 45S+ 0 0 30 -4,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.829 109.8 51.8 -76.1 -33.3 -38.1 46.6 12.7 48 48 A D H <5S+ 0 0 127 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.658 109.6 51.8 -75.7 -15.8 -38.1 50.4 12.7 49 49 A A H <5S- 0 0 56 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.680 124.3 -99.2 -93.3 -21.9 -37.1 50.3 9.0 50 50 A G T <5S+ 0 0 44 -4,-0.8 -26,-0.6 1,-0.2 2,-0.2 0.774 74.2 133.4 107.4 38.4 -39.8 47.8 8.0 51 51 A Y E < - c 0 24B 27 -5,-2.3 2,-0.7 -28,-0.2 -29,-0.3 -0.689 57.2-115.2-111.8 167.4 -38.2 44.4 7.8 52 52 A R E - c 0 25B 52 -28,-2.0 -26,-3.9 -2,-0.2 2,-0.5 -0.914 31.6-152.5-104.6 113.1 -39.2 41.0 9.1 53 53 A V E -Bc 20 26B 1 -33,-1.2 -33,-2.0 -2,-0.7 2,-0.5 -0.746 14.7-178.6 -94.7 125.1 -36.7 39.8 11.8 54 54 A I E -Bc 19 27B 1 -28,-2.3 -26,-2.7 -2,-0.5 2,-0.5 -0.954 1.3-180.0-125.7 113.2 -36.1 36.1 12.4 55 55 A T E -Bc 18 28B 7 -37,-0.8 -37,-2.5 -2,-0.5 2,-0.4 -0.945 1.7-179.8-114.7 128.8 -33.8 34.9 15.1 56 56 A Y E -Bc 17 29B 1 -28,-1.0 -26,-0.6 -2,-0.5 2,-0.5 -0.975 24.5-125.6-128.2 144.0 -33.1 31.3 15.8 57 57 A D - 0 0 2 -41,-2.9 -41,-0.2 -2,-0.4 3,-0.1 -0.750 26.6-121.4 -92.3 127.5 -30.8 29.7 18.4 58 58 A R > - 0 0 2 -2,-0.5 3,-2.0 1,-0.1 6,-0.3 -0.253 44.4 -82.6 -60.9 150.1 -28.1 27.2 17.2 59 59 A R T 3 S+ 0 0 9 1,-0.3 7,-0.2 11,-0.1 -1,-0.1 -0.301 117.5 21.1 -58.5 133.7 -28.3 23.7 18.7 60 60 A G T 3 S+ 0 0 0 5,-2.6 134,-4.2 1,-0.3 2,-0.3 0.303 114.2 84.4 89.7 -8.8 -26.6 23.4 22.1 61 61 A F S X S- 0 0 5 -3,-2.0 3,-1.2 132,-0.2 -1,-0.3 -0.907 86.6 -6.5-125.4 154.2 -27.0 27.2 22.7 62 62 A G T 3 S- 0 0 12 127,-0.6 -27,-0.1 -29,-0.3 -2,-0.0 -0.347 120.1 -30.2 67.9-143.5 -29.8 29.4 24.0 63 63 A Q T 3 S+ 0 0 105 -47,-0.1 -1,-0.2 -2,-0.1 3,-0.1 0.419 109.4 109.0 -90.3 0.3 -33.2 27.9 24.7 64 64 A S S < S- 0 0 4 -3,-1.2 -49,-0.2 -6,-0.3 -6,-0.1 -0.165 82.6 -76.2 -70.4 169.3 -32.7 25.3 21.9 65 65 A S - 0 0 14 -51,-2.7 -5,-2.6 1,-0.1 -4,-0.2 -0.198 37.0-136.4 -63.5 159.3 -32.2 21.6 22.7 66 66 A Q + 0 0 20 -7,-0.2 130,-0.1 -6,-0.1 129,-0.1 -0.615 34.6 164.5-122.9 72.1 -28.7 20.4 23.8 67 67 A P - 0 0 1 0, 0.0 129,-0.1 0, 0.0 392,-0.1 -0.202 38.7-134.8 -79.1 176.6 -27.8 17.2 22.0 68 68 A T S S+ 0 0 17 128,-0.1 2,-0.3 129,-0.0 3,-0.2 0.194 78.9 71.8-115.8 12.5 -24.3 15.7 21.8 69 69 A T S S+ 0 0 74 1,-0.2 3,-0.1 391,-0.0 -61,-0.0 -0.899 76.4 37.7-129.3 156.3 -24.3 15.0 18.0 70 70 A G + 0 0 19 -2,-0.3 2,-1.0 1,-0.2 -1,-0.2 0.870 55.8 154.9 76.8 39.6 -24.2 16.9 14.8 71 71 A Y + 0 0 22 -3,-0.2 2,-0.3 4,-0.1 -1,-0.2 -0.551 42.1 93.7 -97.2 68.2 -21.7 19.6 15.7 72 72 A D S >> S- 0 0 63 -2,-1.0 4,-2.4 -3,-0.1 3,-1.2 -0.979 84.6-110.5-153.7 153.5 -20.4 20.4 12.2 73 73 A Y H 3> S+ 0 0 4 -2,-0.3 4,-1.8 1,-0.3 5,-0.1 0.670 114.7 63.5 -66.8 -17.0 -21.4 22.9 9.5 74 74 A D H 3> S+ 0 0 99 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.868 112.3 37.1 -68.8 -36.4 -22.8 20.2 7.3 75 75 A T H <> S+ 0 0 36 -3,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.855 113.7 56.4 -80.4 -38.9 -25.4 19.6 10.1 76 76 A F H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.860 107.2 49.4 -61.5 -37.7 -25.7 23.3 10.9 77 77 A A H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.872 108.2 53.2 -69.2 -37.9 -26.7 24.1 7.3 78 78 A A H X S+ 0 0 30 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.864 107.5 52.4 -63.0 -36.8 -29.2 21.3 7.4 79 79 A D H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.891 111.8 45.5 -64.0 -40.9 -30.6 22.9 10.5 80 80 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.875 111.3 52.5 -70.2 -38.7 -30.9 26.2 8.7 81 81 A N H X S+ 0 0 32 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.899 109.1 49.6 -62.9 -41.9 -32.4 24.5 5.6 82 82 A T H X S+ 0 0 45 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.895 111.6 48.9 -64.2 -41.4 -35.1 22.9 7.8 83 83 A V H X S+ 0 0 2 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.920 112.7 47.2 -64.3 -45.0 -35.9 26.2 9.4 84 84 A L H X>S+ 0 0 1 -4,-2.4 5,-1.6 1,-0.2 4,-0.9 0.899 115.2 44.9 -64.9 -42.5 -36.1 28.1 6.1 85 85 A E H <5S+ 0 0 93 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.875 112.0 51.8 -69.6 -38.7 -38.3 25.4 4.5 86 86 A T H <5S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.868 117.4 38.7 -66.5 -36.9 -40.6 25.1 7.5 87 87 A L H <5S- 0 0 21 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.604 102.4-140.5 -86.2 -13.9 -41.1 28.9 7.6 88 88 A D T <5 - 0 0 61 -4,-0.9 2,-0.3 -5,-0.2 -3,-0.2 0.917 28.3-172.6 52.2 51.1 -41.2 28.9 3.7 89 89 A L < - 0 0 2 -5,-1.6 2,-0.4 2,-0.0 -1,-0.2 -0.555 6.5-160.5 -76.3 136.2 -39.2 32.1 3.5 90 90 A Q - 0 0 25 -2,-0.3 25,-0.2 1,-0.2 26,-0.1 -0.975 68.3 -5.6-123.1 132.4 -39.0 33.7 0.0 91 91 A D S S+ 0 0 34 -2,-0.4 25,-0.2 23,-0.4 -1,-0.2 0.877 92.4 162.5 54.8 42.7 -36.3 36.2 -1.1 92 92 A A E - e 0 116B 0 23,-2.7 25,-3.1 -3,-0.2 26,-0.9 -0.187 36.3-119.6 -83.2 178.4 -35.0 36.4 2.5 93 93 A V E -de 26 118B 0 -68,-2.0 -66,-3.1 23,-0.2 2,-0.6 -0.987 14.5-146.9-126.1 130.2 -31.7 37.8 3.7 94 94 A L E +de 27 119B 0 24,-1.9 26,-1.9 -2,-0.4 2,-0.5 -0.856 18.0 177.2 -99.6 119.8 -29.1 35.8 5.7 95 95 A V E -de 28 120B 0 -68,-3.2 -66,-3.0 -2,-0.6 2,-0.3 -0.976 8.7-177.0-123.0 119.4 -27.0 37.7 8.3 96 96 A G E -de 29 121B 0 24,-2.2 26,-2.1 -2,-0.5 2,-0.4 -0.753 13.4-158.3-115.8 161.1 -24.5 35.8 10.3 97 97 A F E > - e 0 122B 4 -68,-1.3 3,-3.1 -67,-0.4 2,-0.4 -0.996 61.4 -40.0-141.0 133.3 -22.1 36.6 13.2 98 98 A S G > S+ 0 0 6 24,-1.4 3,-0.8 25,-0.8 27,-0.4 -0.357 142.4 9.4 53.9-107.1 -19.0 34.7 14.3 99 99 A M G >> S+ 0 0 0 -2,-0.4 3,-1.7 1,-0.2 4,-0.6 0.804 125.6 68.5 -66.9 -29.7 -20.1 31.0 13.9 100 100 A G G <4 S+ 0 0 0 -3,-3.1 4,-0.5 1,-0.3 3,-0.4 0.726 87.2 65.3 -64.1 -23.5 -23.2 32.2 12.1 101 101 A T G <> S+ 0 0 0 -3,-0.8 4,-1.1 1,-0.2 -1,-0.3 0.663 97.2 57.3 -73.4 -16.3 -21.2 33.4 9.1 102 102 A G H <> S+ 0 0 0 -3,-1.7 4,-1.3 -4,-0.2 -1,-0.2 0.729 100.8 55.1 -83.5 -24.6 -20.3 29.8 8.5 103 103 A E H X S+ 0 0 1 -4,-0.6 4,-0.6 -3,-0.4 -2,-0.2 0.566 105.6 54.3 -85.2 -9.8 -23.9 28.7 8.3 104 104 A V H > S+ 0 0 0 -4,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.874 111.3 41.6 -86.3 -44.9 -24.5 31.3 5.5 105 105 A A H X S+ 0 0 0 -4,-1.1 4,-1.4 1,-0.2 -2,-0.2 0.832 115.7 51.0 -71.0 -33.7 -21.7 30.2 3.2 106 106 A R H X S+ 0 0 38 -4,-1.3 4,-1.9 2,-0.2 5,-0.2 0.840 109.0 50.4 -75.1 -34.3 -22.5 26.5 3.8 107 107 A Y H X>S+ 0 0 7 -4,-0.6 4,-3.3 2,-0.2 5,-1.0 0.945 110.2 48.1 -67.7 -49.9 -26.2 26.8 3.0 108 108 A V H X5S+ 0 0 5 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.871 114.7 47.8 -58.8 -38.6 -25.7 28.7 -0.3 109 109 A S H <5S+ 0 0 25 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.903 123.4 29.5 -69.3 -43.0 -23.1 26.1 -1.4 110 110 A S H <5S+ 0 0 69 -4,-1.9 -2,-0.2 2,-0.1 -3,-0.2 0.797 134.0 23.6 -91.6 -31.8 -25.1 23.0 -0.5 111 111 A Y H <5S- 0 0 97 -4,-3.3 2,-0.2 1,-0.3 -3,-0.2 0.682 100.0-125.2-114.7 -24.5 -28.7 24.1 -0.9 112 112 A G << - 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0 0 26 -4,-1.2 -32,-0.1 1,-0.1 -37,-0.0 -0.866 47.5-175.4-107.3 132.7 -10.7 -4.3 16.3 791 352 B P + 0 0 105 0, 0.0 2,-1.6 0, 0.0 3,-0.2 0.653 63.4 101.9 -88.8 -20.8 -9.4 -0.8 17.2 792 353 B S + 0 0 32 1,-0.2 -31,-0.2 -33,-0.2 -2,-0.1 -0.472 39.0 156.2 -67.5 88.9 -6.4 -1.2 14.9 793 354 B E > - 0 0 116 -2,-1.6 3,-0.8 1,-0.1 -1,-0.2 0.867 29.7-160.8 -81.8 -40.4 -7.6 0.8 12.0 794 355 B R T 3 - 0 0 139 1,-0.2 -2,-0.1 -3,-0.2 -1,-0.1 0.392 50.2-100.5 63.8 -2.7 -4.2 1.7 10.5 795 356 B G T 3 S+ 0 0 56 1,-0.2 -1,-0.2 2,-0.0 2,-0.2 0.798 83.6 93.0 67.7 35.8 -6.2 4.5 8.8 796 357 B L < - 0 0 133 -3,-0.8 -1,-0.2 1,-0.2 0, 0.0 -0.759 66.2 -21.0-144.4-159.2 -6.8 3.2 5.3 797 358 B Q - 0 0 153 -2,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.173 52.9-117.2 -63.7 155.7 -8.9 1.3 2.7 798 359 B R - 0 0 72 1,-0.1 -1,-0.1 2,-0.0 57,-0.0 -0.740 36.0 -94.3-106.5 131.5 -11.6 -1.2 3.3 799 360 B R - 0 0 51 -2,-0.4 4,-0.2 -16,-0.1 -1,-0.1 0.322 20.9-155.8 -43.4 158.3 -11.6 -4.9 2.2 800 361 B R S > S+ 0 0 93 2,-0.1 4,-1.8 3,-0.1 3,-0.2 0.803 82.3 61.1-105.1 -37.6 -13.1 -6.3 -1.0 801 362 B F H > S+ 0 0 31 1,-0.3 4,-0.7 2,-0.2 -21,-0.2 0.814 103.6 52.4 -68.7 -31.2 -13.9 -10.0 -0.4 802 363 B V H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 -1,-0.3 0.838 107.1 54.0 -70.9 -32.9 -16.4 -9.2 2.4 803 364 B Q H 4 S+ 0 0 68 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.884 110.5 45.6 -65.5 -40.2 -18.1 -6.8 -0.0 804 365 B N H < S+ 0 0 128 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.644 117.2 46.5 -77.8 -15.1 -18.4 -9.6 -2.6 805 366 B A H < S+ 0 0 17 -4,-0.7 -2,-0.2 -5,-0.2 3,-0.2 0.860 117.2 39.3 -90.7 -45.3 -19.6 -11.9 0.2 806 367 B L S < S+ 0 0 3 -4,-3.3 -2,-0.2 1,-0.2 45,-0.1 0.066 91.9 106.6 -90.4 23.2 -22.1 -9.6 1.8 807 368 B N S S- 0 0 80 44,-0.1 -1,-0.2 -5,-0.1 -2,-0.1 1.000 70.0-143.7 -64.5 -71.9 -23.2 -8.4 -1.6 808 369 B G > - 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