==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JUN-04 1W1J . COMPND 2 MOLECULE: VANILLYL-ALCOHOL OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PENICILLIUM SIMPLICISSIMUM; . AUTHOR R.H.VAN DEN HEUVEL . 1100 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 760 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 75 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 161 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.8 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 2 3 2 2 0 0 2 2 4 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 0 PARALLEL BRIDGES PER LADDER . 11 3 9 8 2 2 0 2 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 1 1 3 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 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 6 A E 0 0 47 0, 0.0 20,-0.2 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 178.9 80.1 57.3 92.1 2 7 A F + 0 0 126 1,-0.2 15,-0.1 18,-0.1 14,-0.1 0.729 360.0 44.1-128.1 -35.2 79.4 61.0 91.3 3 8 A R - 0 0 153 13,-0.1 2,-0.2 14,-0.0 -1,-0.2 -0.874 53.4-178.5-137.2 98.4 82.2 63.6 90.4 4 9 A P - 0 0 18 0, 0.0 32,-0.3 0, 0.0 3,-0.1 -0.573 36.9-120.0 -89.0 161.4 85.1 62.8 88.0 5 10 A L S S+ 0 0 113 30,-2.3 2,-0.4 1,-0.2 31,-0.1 0.836 99.3 26.5 -63.2 -37.7 88.0 65.1 87.1 6 11 A T - 0 0 47 29,-0.4 -1,-0.2 56,-0.2 29,-0.1 -0.987 65.4-158.2-135.8 125.1 87.0 65.0 83.4 7 12 A L - 0 0 66 -2,-0.4 102,-0.2 -3,-0.1 3,-0.1 -0.751 34.1-107.3 -86.6 148.1 83.7 64.4 81.6 8 13 A P > - 0 0 6 0, 0.0 3,-0.8 0, 0.0 2,-0.2 -0.050 60.2 -64.8 -48.9 172.9 83.7 63.2 78.0 9 14 A P T 3 S+ 0 0 34 0, 0.0 3,-0.1 0, 0.0 97,-0.0 -0.509 116.1 0.0 -71.6 137.4 82.6 65.9 75.4 10 15 A K T 3 S+ 0 0 198 -2,-0.2 2,-0.6 1,-0.1 0, 0.0 0.433 97.9 127.2 73.6 2.1 79.0 67.1 75.6 11 16 A L < - 0 0 10 -3,-0.8 -1,-0.1 4,-0.0 74,-0.0 -0.837 50.2-138.8-109.5 118.3 78.0 64.9 78.6 12 17 A S > - 0 0 56 -2,-0.6 4,-3.1 1,-0.1 5,-0.2 -0.076 22.6-114.5 -64.5 160.7 76.4 66.3 81.8 13 18 A L H > S+ 0 0 91 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.905 120.0 48.5 -58.7 -43.7 77.2 65.4 85.4 14 19 A S H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 111.6 48.4 -65.5 -47.8 73.7 64.0 85.7 15 20 A D H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 3,-0.4 0.951 113.8 46.4 -57.5 -50.3 74.0 62.0 82.5 16 21 A F H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.908 110.6 55.0 -55.3 -44.6 77.4 60.6 83.5 17 22 A N H X S+ 0 0 38 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.771 109.7 45.4 -63.4 -31.3 76.0 59.8 86.9 18 23 A E H X S+ 0 0 97 -4,-1.9 4,-3.0 -3,-0.4 5,-0.2 0.957 111.7 50.9 -73.4 -56.3 73.1 57.8 85.4 19 24 A F H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.900 112.9 49.2 -39.2 -50.4 75.5 55.9 83.0 20 25 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.949 111.2 44.7 -65.5 -51.5 77.7 55.1 86.1 21 26 A Q H X S+ 0 0 85 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.914 116.1 52.0 -54.5 -42.7 74.9 53.8 88.4 22 27 A D H X S+ 0 0 37 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.933 108.8 47.2 -55.9 -53.7 73.6 51.9 85.3 23 28 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 5,-0.3 0.893 108.0 57.7 -60.5 -38.6 77.0 50.3 84.6 24 29 A I H X S+ 0 0 35 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.897 100.8 56.7 -56.6 -45.5 77.3 49.4 88.3 25 30 A R H < S+ 0 0 174 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 113.2 40.7 -55.5 -38.4 74.0 47.4 88.1 26 31 A I H < S+ 0 0 45 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.941 130.5 20.9 -74.8 -50.5 75.4 45.2 85.3 27 32 A V H < S- 0 0 5 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.2 0.644 105.5-109.5-100.8 -15.0 79.0 44.6 86.4 28 33 A G >< - 0 0 31 -4,-2.7 3,-1.9 -5,-0.3 -3,-0.1 0.162 28.3 -94.1 89.8 145.7 79.1 45.2 90.2 29 34 A S G > S+ 0 0 69 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.725 120.5 69.1 -70.1 -20.6 80.7 48.1 92.0 30 35 A E G 3 S+ 0 0 170 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.385 101.5 49.1 -81.0 6.4 83.9 46.1 92.5 31 36 A N G < S+ 0 0 26 -3,-1.9 36,-2.0 -7,-0.1 2,-0.4 0.201 101.5 74.4-121.6 14.1 84.4 46.4 88.8 32 37 A V E < +A 66 0A 24 -3,-1.5 2,-0.4 34,-0.2 34,-0.2 -0.993 50.8 177.8-132.0 131.5 83.8 50.2 88.5 33 38 A E E -A 65 0A 117 32,-2.2 32,-2.9 -2,-0.4 2,-0.3 -0.995 10.6-161.4-134.5 128.4 86.1 53.1 89.4 34 39 A V E -A 64 0A 17 -2,-0.4 2,-0.6 30,-0.3 30,-0.2 -0.666 20.2-131.2 -99.1 153.9 85.5 56.7 89.0 35 40 A I 0 0 27 28,-1.8 -30,-2.3 -2,-0.3 -29,-0.4 -0.936 360.0 360.0-122.0 114.9 88.4 59.1 89.1 36 41 A S 0 0 105 -2,-0.6 27,-0.0 -32,-0.3 -31,-0.0 -0.608 360.0 360.0-134.5 360.0 88.1 62.2 91.3 37 ! 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 38 47 A V 0 0 146 0, 0.0 10,-0.2 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0 124.6 99.1 57.7 90.1 39 48 A D - 0 0 30 1,-0.1 7,-0.5 12,-0.1 10,-0.0 0.574 360.0-165.7 -83.4 -16.1 101.6 56.1 87.5 40 49 A G B -E 45 0B 49 5,-0.2 2,-0.2 3,-0.0 -1,-0.1 -0.020 20.9 -90.5 58.1-165.7 101.7 52.5 88.7 41 50 A S - 0 0 62 3,-1.8 5,-0.2 1,-0.1 0, 0.0 -0.635 28.9-101.3-125.7-176.5 104.3 49.9 87.5 42 51 A Y S S+ 0 0 35 -2,-0.2 -1,-0.1 1,-0.1 55,-0.0 0.849 124.8 53.2 -72.2 -36.7 104.8 47.4 84.7 43 52 A M S S+ 0 0 147 1,-0.3 -1,-0.1 -3,-0.0 -3,-0.0 0.819 127.1 22.7 -71.8 -29.1 103.9 44.6 87.2 44 53 A K S S- 0 0 166 0, 0.0 -3,-1.8 0, 0.0 -1,-0.3 -0.706 89.8-156.7-133.7 87.7 100.7 46.6 88.0 45 54 A P B -E 40 0B 29 0, 0.0 -5,-0.2 0, 0.0 -3,-0.1 -0.266 17.0-116.9 -68.0 146.1 99.7 48.9 85.1 46 55 A T - 0 0 16 -7,-0.5 56,-0.5 -5,-0.2 -7,-0.1 -0.357 16.5-162.0 -75.0 160.8 97.6 52.0 85.5 47 56 A H S S+ 0 0 47 55,-0.1 64,-0.1 54,-0.1 -1,-0.1 0.212 77.0 62.7-127.3 10.0 94.2 52.2 83.8 48 57 A T S S- 0 0 23 -10,-0.2 14,-1.6 1,-0.2 2,-0.2 0.746 107.1 -11.6-110.1 -26.8 93.6 55.9 83.9 49 58 A H B S-F 61 0C 5 12,-0.2 54,-0.5 54,-0.2 53,-0.4 -0.882 85.1 -57.8-165.9 179.6 96.3 57.7 82.0 50 59 A D > - 0 0 3 10,-0.6 3,-0.7 7,-0.4 51,-0.2 -0.710 35.9-168.3 -88.8 110.1 99.7 57.5 80.2 51 60 A P T 3 S+ 0 0 15 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.734 90.6 46.4 -72.6 -25.8 102.4 56.3 82.7 52 61 A H T 3 S+ 0 0 22 360,-0.1 2,-0.2 361,-0.1 48,-0.1 -0.542 93.0 176.2-105.9 57.3 105.3 57.2 80.4 53 62 A H < + 0 0 10 -3,-0.7 4,-0.1 -2,-0.2 5,-0.0 -0.423 30.4 174.4 -70.4 133.1 103.7 60.5 79.7 54 63 A V S S+ 0 0 1 -2,-0.2 -1,-0.2 2,-0.2 422,-0.1 0.651 75.6 57.1-100.1 -35.4 105.4 63.1 77.6 55 64 A M S S- 0 0 28 1,-0.3 5,-0.0 2,-0.1 417,-0.0 -0.160 121.7 -50.5 -76.3-177.9 102.4 65.4 77.7 56 65 A D > - 0 0 108 1,-0.1 3,-1.3 2,-0.1 4,-0.4 -0.161 60.1-112.5 -50.8 157.9 101.1 66.6 81.1 57 66 A Q T 3 S+ 0 0 90 1,-0.3 -7,-0.4 2,-0.1 3,-0.3 0.870 117.7 40.5 -63.0 -35.4 100.6 63.6 83.4 58 67 A D T 3 S+ 0 0 101 1,-0.2 -1,-0.3 -9,-0.1 3,-0.1 0.169 85.7 105.0-101.2 16.3 96.8 64.2 83.3 59 68 A Y S < S+ 0 0 89 -3,-1.3 2,-0.7 1,-0.2 48,-0.2 0.932 83.7 37.8 -67.6 -49.0 96.6 65.0 79.6 60 69 A F S S+ 0 0 4 -4,-0.4 -10,-0.6 -3,-0.3 2,-0.3 -0.935 89.4 159.3-103.8 111.1 95.1 61.7 78.5 61 70 A L B -F 49 0C 9 -2,-0.7 47,-2.2 -12,-0.2 48,-0.5 -0.991 34.0-136.3-143.1 142.1 92.7 60.8 81.3 62 71 A A - 0 0 1 -14,-1.6 -56,-0.2 -2,-0.3 -57,-0.2 -0.593 10.5-144.2 -97.6 154.8 89.7 58.6 81.8 63 72 A S S S- 0 0 0 46,-2.6 -28,-1.8 1,-0.4 2,-0.3 0.765 84.0 -18.1 -83.6 -26.9 86.5 59.5 83.6 64 73 A A E -Ab 34 110A 0 45,-0.9 47,-2.4 -30,-0.2 2,-0.4 -0.975 59.7-120.4-167.7 160.9 86.3 56.0 84.9 65 74 A I E -Ab 33 111A 13 -32,-2.9 -32,-2.2 -2,-0.3 2,-0.4 -0.893 26.4-170.3-107.7 143.3 87.5 52.4 84.5 66 75 A V E -Ab 32 112A 0 45,-2.4 47,-2.4 -2,-0.4 -34,-0.2 -1.000 8.5-163.1-136.0 136.9 85.0 49.5 83.8 67 76 A A - 0 0 3 -36,-2.0 47,-0.1 -2,-0.4 45,-0.1 -0.879 10.3-152.9-125.4 102.1 85.6 45.8 83.8 68 77 A P - 0 0 0 0, 0.0 49,-0.5 0, 0.0 50,-0.2 -0.385 6.4-149.1 -70.3 148.5 83.1 43.6 82.2 69 78 A R S S- 0 0 124 1,-0.1 2,-0.3 48,-0.1 -42,-0.0 0.657 75.6 -3.0 -90.4 -22.0 82.9 40.0 83.5 70 79 A N S > S- 0 0 50 48,-0.1 4,-1.3 1,-0.0 3,-0.4 -0.894 86.4 -84.3-162.7 173.8 81.8 38.4 80.3 71 80 A V H > S+ 0 0 5 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.879 121.1 60.8 -67.7 -42.5 80.9 39.3 76.6 72 81 A A H > S+ 0 0 24 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.857 100.3 57.3 -50.4 -38.6 77.3 40.1 77.4 73 82 A D H > S+ 0 0 4 -3,-0.4 4,-3.3 1,-0.2 -1,-0.2 0.978 104.7 51.1 -56.1 -56.5 78.6 42.8 79.8 74 83 A V H X S+ 0 0 0 -4,-1.3 4,-3.3 2,-0.2 -2,-0.2 0.866 110.6 48.8 -44.8 -47.4 80.5 44.5 76.9 75 84 A Q H X S+ 0 0 53 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.987 112.2 48.5 -60.1 -58.6 77.3 44.4 74.7 76 85 A S H X S+ 0 0 59 -4,-2.7 4,-2.2 2,-0.2 3,-0.2 0.925 113.9 46.2 -41.4 -61.6 75.3 46.0 77.6 77 86 A I H >X S+ 0 0 0 -4,-3.3 4,-3.0 1,-0.2 3,-0.7 0.966 109.2 54.7 -46.6 -59.4 78.0 48.7 78.1 78 87 A V H 3X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.3 -1,-0.2 0.865 108.7 50.5 -43.3 -42.9 78.2 49.3 74.3 79 88 A G H 3X S+ 0 0 38 -4,-2.4 4,-1.4 -3,-0.2 -1,-0.3 0.840 109.5 48.6 -68.2 -39.1 74.4 49.9 74.4 80 89 A L H S+ 0 0 0 -4,-3.0 5,-2.3 1,-0.2 4,-1.1 0.862 111.0 47.3 -52.1 -42.2 77.5 54.2 75.4 82 91 A N H <5S+ 0 0 32 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.776 114.8 49.5 -67.6 -29.5 75.3 54.4 72.3 83 92 A K H <5S+ 0 0 153 -4,-1.4 -2,-0.2 -3,-0.5 -3,-0.2 0.984 122.6 29.2 -69.5 -61.4 72.5 55.7 74.5 84 93 A F H <5S- 0 0 20 -4,-3.2 -2,-0.2 -5,-0.1 -3,-0.2 0.423 106.5-116.9 -82.3 0.8 74.5 58.3 76.4 85 94 A S T <5 + 0 0 66 -4,-1.1 -3,-0.2 -5,-0.3 -4,-0.1 0.981 56.1 168.1 58.5 59.8 76.9 59.1 73.6 86 95 A F < - 0 0 0 -5,-2.3 2,-0.4 -8,-0.2 -1,-0.2 -0.888 35.4-127.1-114.7 125.2 79.9 57.9 75.6 87 96 A P - 0 0 1 0, 0.0 23,-2.3 0, 0.0 2,-0.3 -0.606 24.0-158.9 -65.3 125.1 83.5 57.3 74.4 88 97 A L E -cd 110 532A 0 443,-3.4 445,-1.9 -2,-0.4 23,-0.2 -0.802 9.4-161.9 -96.2 151.3 84.9 53.8 75.2 89 98 A W E -c 111 0A 23 21,-2.4 23,-1.1 -2,-0.3 2,-0.4 -0.659 15.1-156.5-129.3 87.0 88.6 53.0 75.3 90 99 A P E +c 112 0A 38 0, 0.0 2,-0.2 0, 0.0 23,-0.2 -0.406 19.5 169.1 -76.7 114.4 88.9 49.2 75.1 91 100 A I E -c 113 0A 17 21,-2.9 23,-1.9 -2,-0.4 24,-0.3 -0.686 28.2-160.0-110.2 170.1 92.2 47.8 76.5 92 101 A S S S- 0 0 17 -2,-0.2 23,-0.5 22,-0.2 -1,-0.1 0.717 90.1 -21.4-108.2 -48.0 93.3 44.2 77.3 93 102 A I S S- 0 0 26 22,-0.1 9,-0.1 21,-0.1 -2,-0.1 0.517 75.3-132.6-136.8 -40.3 96.2 44.8 79.7 94 103 A G + 0 0 13 7,-0.1 8,-0.6 1,-0.1 9,-0.1 0.718 60.6 136.7 85.5 21.0 97.2 48.4 79.0 95 104 A R + 0 0 59 1,-0.2 2,-0.9 6,-0.2 70,-0.1 0.192 23.9 125.0 -86.3 23.5 100.9 47.5 78.9 96 105 A N > > + 0 0 45 3,-0.1 5,-2.7 2,-0.1 3,-2.2 -0.021 36.4 164.2 -72.0 34.7 101.1 49.8 75.9 97 106 A S T 3 5 + 0 0 21 -2,-0.9 317,-0.1 1,-0.3 -2,-0.1 -0.255 64.5 31.0 -43.2 136.8 103.9 51.7 77.7 98 107 A G T 3 5S+ 0 0 0 315,-0.4 317,-2.0 -46,-0.1 -1,-0.3 0.279 120.3 56.7 86.0 -10.1 105.8 53.8 75.1 99 108 A Y T < 5S- 0 0 10 -3,-2.2 399,-0.4 315,-0.2 -2,-0.2 0.169 135.5 -70.7-135.2 9.6 102.6 54.2 73.1 100 109 A G T > 5 - 0 0 0 -4,-0.2 3,-1.2 397,-0.2 -3,-0.2 0.154 58.7-131.9 124.7 -15.6 100.4 55.7 75.7 101 110 A G T 3 S- 0 0 0 428,-0.2 3,-1.3 -46,-0.1 -1,-0.1 -0.873 94.5-127.7 -94.6 123.7 90.1 61.3 74.2 107 116 A S T 3 S+ 0 0 30 -2,-0.5 -45,-0.2 1,-0.2 3,-0.1 -0.315 93.5 41.3 -66.7 155.2 89.9 62.3 77.9 108 117 A G T 3 S+ 0 0 0 -47,-2.2 -1,-0.2 1,-0.3 -46,-0.2 0.231 86.3 133.1 85.9 -15.4 86.7 61.6 79.8 109 118 A S < - 0 0 0 -3,-1.3 -46,-2.6 -48,-0.5 -45,-0.9 -0.191 63.4-116.9 -57.2 153.6 86.5 58.2 78.0 110 119 A V E -bc 64 88A 0 -23,-2.3 -21,-2.4 -48,-0.2 2,-0.6 -0.881 25.3-136.0 -85.5 129.9 85.7 55.1 80.0 111 120 A V E -bc 65 89A 0 -47,-2.4 -45,-2.4 -2,-0.5 2,-0.9 -0.817 14.0-146.4 -84.7 125.0 88.7 52.8 79.8 112 121 A L E -bc 66 90A 0 -23,-1.1 -21,-2.9 -2,-0.6 2,-1.4 -0.845 5.6-157.7 -92.9 105.0 87.3 49.3 79.3 113 122 A D E + c 0 91A 13 -47,-2.4 4,-0.4 -2,-0.9 3,-0.3 -0.729 20.8 169.9 -84.3 93.1 89.6 46.9 81.1 114 123 A M > + 0 0 3 -23,-1.9 4,-1.4 -2,-1.4 3,-0.4 0.807 68.5 59.9 -74.6 -30.8 88.8 43.8 79.1 115 124 A G T 4 S+ 0 0 6 -23,-0.5 -1,-0.2 -24,-0.3 21,-0.1 0.720 83.2 77.3 -73.5 -21.2 91.6 41.8 80.6 116 125 A K T 4 S+ 0 0 98 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.868 120.1 5.0 -63.6 -39.9 90.7 41.9 84.3 117 126 A N T 4 S+ 0 0 52 -49,-0.5 2,-1.0 -3,-0.4 -1,-0.2 0.576 116.1 78.4-112.2 -20.3 88.0 39.3 84.1 118 127 A M < + 0 0 0 -4,-1.4 18,-3.3 1,-0.2 19,-0.2 -0.790 63.6 134.2-105.3 96.4 88.2 38.1 80.5 119 128 A N + 0 0 89 -2,-1.0 2,-0.3 16,-0.2 -1,-0.2 0.153 22.1 117.2-142.9 -13.9 91.1 36.1 81.3 120 129 A R - 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0 0 0 -12,-2.9 3,-1.3 -2,-0.4 33,-0.1 -0.390 52.5 -4.7 -91.3 166.8 85.7 36.6 61.5 204 213 A G G > S- 0 0 2 1,-0.3 3,-1.9 2,-0.2 4,-0.2 -0.135 133.9 -10.2 60.5-143.5 87.0 34.3 58.8 205 214 A M G > S+ 0 0 2 28,-1.0 3,-3.8 1,-0.3 -1,-0.3 0.846 122.9 84.1 -58.0 -28.4 86.0 30.6 59.1 206 215 A G G < S+ 0 0 3 -3,-1.3 -1,-0.3 24,-0.4 -2,-0.2 0.521 81.2 63.9 -52.1 -3.8 84.7 31.7 62.6 207 216 A A G < S+ 0 0 2 -3,-1.9 855,-2.3 -4,-0.1 -1,-0.3 0.643 81.8 82.7 -95.4 -17.0 81.6 32.8 60.7 208 217 A L S < S- 0 0 3 -3,-3.8 19,-0.7 -4,-0.2 852,-0.2 -0.802 88.6-133.3 -78.9 117.3 80.8 29.2 59.6 209 218 A P B -N 226 0H 32 0, 0.0 833,-0.1 0, 0.0 17,-0.1 -0.336 16.6-101.7 -78.0 155.3 79.1 28.0 62.8 210 219 A D - 0 0 39 15,-0.5 17,-0.1 17,-0.1 830,-0.1 -0.594 49.9-105.9 -69.7 136.4 79.9 24.7 64.5 211 220 A P - 0 0 39 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.120 45.6 -84.7 -66.1 165.7 77.1 22.2 63.6 212 221 A K + 0 0 182 -3,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.407 52.1 153.6 -85.2 147.3 74.5 21.4 66.1 213 222 A R >> - 0 0 104 -2,-0.1 3,-1.6 1,-0.1 4,-0.6 -0.925 52.5-104.7-158.5 149.7 74.7 18.7 68.9 214 223 A P G >4 S+ 0 0 101 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.837 111.8 64.5 -43.6 -47.4 73.0 18.4 72.3 215 224 A E G 34 S+ 0 0 144 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.640 111.2 36.1 -61.8 -14.0 76.1 19.3 74.4 216 225 A T G X4 S+ 0 0 23 -3,-1.6 3,-1.3 3,-0.0 -1,-0.2 0.390 84.5 128.7-121.3 0.9 76.1 22.9 72.9 217 226 A M T << S+ 0 0 107 -3,-1.2 -5,-0.0 -4,-0.6 0, 0.0 -0.326 73.0 15.2 -54.6 129.3 72.4 23.7 72.6 218 227 A G T 3 S+ 0 0 86 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.583 84.2 144.6 84.6 10.8 71.2 26.9 74.1 219 228 A L < - 0 0 69 -3,-1.3 -1,-0.3 1,-0.1 5,-0.1 -0.676 55.3-112.3 -78.8 132.8 74.6 28.6 74.6 220 229 A K >> - 0 0 126 -2,-0.4 3,-2.2 1,-0.1 4,-0.6 -0.351 37.0-104.0 -53.7 141.7 74.8 32.3 74.1 221 230 A P G >4 S+ 0 0 33 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.861 121.2 58.7 -32.5 -65.5 76.8 33.2 70.9 222 231 A E G 34 S+ 0 0 12 1,-0.3 -2,-0.0 -30,-0.0 -3,-0.0 0.752 110.0 42.8 -25.5 -46.4 79.8 34.2 73.1 223 232 A D G <4 S+ 0 0 77 -3,-2.2 -1,-0.3 -7,-0.0 -3,-0.1 0.478 88.9 113.2 -97.1 -0.1 80.0 30.8 74.7 224 233 A Q << - 0 0 56 -3,-2.1 -7,-0.0 -4,-0.6 -4,-0.0 -0.319 69.9-112.2 -74.2 148.7 79.5 28.7 71.5 225 234 A P - 0 0 39 0, 0.0 -15,-0.5 0, 0.0 2,-0.3 -0.275 31.4-114.0 -69.2 169.7 82.3 26.6 70.2 226 235 A W B -N 209 0H 37 -17,-0.1 -20,-0.1 1,-0.1 5,-0.1 -0.786 33.0 -99.9-103.1 149.7 84.0 27.4 66.9 227 236 A S > - 0 0 5 -19,-0.7 3,-2.3 -2,-0.3 4,-0.2 -0.287 43.3 -97.8 -67.8 158.0 83.8 25.3 63.8 228 237 A K T 3 S+ 0 0 49 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.692 120.4 45.4 -53.4 -27.9 86.7 23.0 63.1 229 238 A I T >> S+ 0 0 1 813,-0.5 4,-1.1 1,-0.2 3,-1.0 0.209 81.3 106.0-101.4 19.2 88.5 25.3 60.5 230 239 A A T <4 S+ 0 0 0 -3,-2.3 -24,-0.4 1,-0.2 -25,-0.2 0.789 87.8 30.2 -73.9 -23.6 88.1 28.4 62.6 231 240 A H T 34 S+ 0 0 1 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 -0.124 115.3 59.0-125.7 39.1 91.8 28.7 63.7 232 241 A L T <4 S+ 0 0 8 -3,-1.0 774,-0.4 1,-0.1 -2,-0.2 0.504 106.2 39.0-132.2 -27.0 93.5 27.1 60.8 233 242 A F >< - 0 0 3 -4,-1.1 -28,-1.0 1,-0.1 3,-0.8 -0.848 56.7-171.9-140.6 100.3 92.4 29.3 57.9 234 243 A P T 3 S+ 0 0 7 0, 0.0 -44,-0.2 0, 0.0 -1,-0.1 0.826 75.0 68.5 -58.9 -40.4 92.1 33.2 58.3 235 244 A Y T 3 + 0 0 5 1,-0.2 -31,-0.2 -31,-0.2 6,-0.1 0.683 64.1 174.2 -60.2 -32.4 90.5 34.0 54.9 236 245 A G < - 0 0 0 -3,-0.8 2,-0.4 -7,-0.2 -1,-0.2 -0.346 53.5 -53.1 51.8-130.5 87.0 32.5 55.3 237 246 A F S S+ 0 0 3 -33,-0.2 810,-0.1 2,-0.2 -33,-0.1 -0.984 100.3 10.1-136.9 145.5 85.0 33.4 52.3 238 247 A G S S+ 0 0 0 -2,-0.4 562,-0.2 808,-0.3 2,-0.1 -0.443 110.3 2.0 88.7-159.5 84.3 36.8 50.8 239 248 A P S S- 0 0 2 0, 0.0 2,-1.3 0, 0.0 557,-0.2 -0.426 73.0-126.9 -69.6 141.4 85.9 40.2 51.7 240 249 A Y > + 0 0 21 555,-3.0 3,-0.6 558,-0.6 555,-0.2 -0.688 37.5 167.3-101.8 89.3 88.6 39.7 54.3 241 250 A I G > + 0 0 0 -2,-1.3 3,-2.9 1,-0.2 4,-0.3 0.571 44.8 102.3 -78.6 -11.7 87.7 42.2 57.0 242 251 A D G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.824 77.9 55.6 -48.2 -39.5 90.0 40.9 59.7 243 252 A G G X S+ 0 0 4 -3,-0.6 549,-2.2 1,-0.3 3,-1.7 0.694 87.9 78.3 -72.2 -17.6 92.6 43.7 59.2 244 253 A L G < S+ 0 0 2 -3,-2.9 6,-0.3 1,-0.3 -1,-0.3 0.584 93.7 53.2 -58.8 -10.9 89.9 46.3 59.8 245 254 A F G < S+ 0 0 8 -3,-1.8 2,-0.5 -4,-0.3 -1,-0.3 0.265 86.8 94.4-115.3 9.4 90.3 45.5 63.5 246 255 A S S < S- 0 0 0 -3,-1.7 546,-0.4 1,-0.2 -73,-0.2 -0.910 105.9 -12.1-102.2 131.3 94.1 46.0 63.8 247 256 A Q S S+ 0 0 4 -75,-2.2 2,-0.3 -2,-0.5 -1,-0.2 0.838 117.3 103.4 49.8 39.1 95.3 49.4 64.9 248 257 A S S S- 0 0 20 -3,-0.3 -1,-0.2 542,-0.2 3,-0.1 -0.829 76.4-125.3-137.1 174.9 91.8 50.8 64.4 249 258 A N S S+ 0 0 3 -2,-0.3 283,-0.1 287,-0.2 -4,-0.1 -0.275 71.5 114.9-113.9 43.0 88.7 51.8 66.4 250 259 A M S S- 0 0 7 -6,-0.3 2,-0.2 1,-0.2 -54,-0.2 0.124 81.4 -25.5-102.3 22.1 86.2 49.6 64.5 251 260 A G - 0 0 13 -56,-0.2 2,-0.6 -3,-0.1 -56,-0.2 -0.812 62.8 -89.4 153.6 164.5 85.3 47.3 67.4 252 261 A I E - I 0 194D 2 -58,-2.9 -58,-3.1 -2,-0.2 2,-0.5 -0.947 38.3-140.5-107.7 114.0 86.1 45.7 70.7 253 262 A V E + I 0 193D 18 -2,-0.6 -60,-0.3 -60,-0.2 3,-0.1 -0.633 24.0 174.6 -72.4 120.6 87.9 42.3 70.3 254 263 A T E + 0 0 0 -62,-1.8 2,-0.3 -2,-0.5 -61,-0.2 0.689 65.4 9.0-101.3 -24.3 86.7 39.7 72.8 255 264 A K E - I 0 192D 4 -63,-1.1 -63,-2.6 -121,-0.2 2,-0.3 -0.982 60.8-171.7-148.2 158.0 88.6 36.6 71.6 256 265 A I E -HI 133 191D 0 -123,-1.9 -123,-2.7 -2,-0.3 2,-0.4 -0.995 18.5-135.6-149.4 150.3 91.4 35.6 69.2 257 266 A G E -HI 132 189D 0 -67,-1.1 -68,-0.8 -68,-0.5 2,-0.4 -0.820 22.9-175.0 -94.4 139.7 93.1 32.6 67.6 258 267 A I E -HI 131 188D 18 -127,-2.1 -127,-1.5 -2,-0.4 -70,-0.3 -0.980 25.4-121.3-137.6 127.1 96.9 32.6 67.4 259 268 A W E -H 130 0D 32 -72,-3.5 2,-0.4 -2,-0.4 -129,-0.3 -0.319 24.5-149.8 -52.6 137.9 99.0 29.9 65.7 260 269 A L - 0 0 6 -131,-3.1 -103,-0.2 -132,-0.1 -102,-0.0 -0.974 14.3-124.5-116.9 134.0 101.6 28.2 68.0 261 270 A M E -L 156 0F 7 -105,-1.4 -105,-3.8 -2,-0.4 584,-0.1 -0.678 26.0-123.6 -77.8 122.1 104.9 26.9 66.6 262 271 A P E -L 155 0F 32 0, 0.0 -107,-0.3 0, 0.0 -108,-0.1 -0.327 45.5 -81.3 -57.9 141.5 105.6 23.1 67.4 263 272 A N - 0 0 54 -109,-1.7 -110,-0.0 1,-0.2 -111,-0.0 -0.257 42.7-142.7 -40.7 121.9 108.8 22.4 69.2 264 273 A P - 0 0 31 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.606 30.7-115.9 -74.4 -15.2 111.3 22.5 66.4 265 274 A R S S+ 0 0 50 85,-0.1 87,-0.2 86,-0.0 2,-0.1 0.884 88.7 28.6 82.3 43.5 113.5 19.6 67.8 266 275 A G - 0 0 20 85,-0.1 84,-2.8 86,-0.0 2,-0.3 -0.300 63.4-169.2 135.9 136.6 116.6 21.6 68.3 267 276 A Y E +O 349 0I 34 82,-0.2 2,-0.4 -2,-0.1 82,-0.2 -0.927 8.5 173.5-158.4 118.4 117.5 25.2 69.1 268 277 A Q E -O 348 0I 55 80,-1.5 80,-3.4 -2,-0.3 2,-0.2 -0.998 11.3-165.1-126.7 130.2 120.6 27.3 69.2 269 278 A S E -O 347 0I 0 -2,-0.4 2,-0.3 78,-0.3 78,-0.3 -0.571 13.3-174.1 -97.7 171.7 120.7 31.0 69.7 270 279 A Y E -O 346 0I 0 76,-1.6 76,-1.9 -2,-0.2 2,-0.5 -0.984 23.5-139.9-166.3 157.1 123.8 33.3 69.0 271 280 A L E -OP 345 375I 2 104,-2.5 104,-2.7 -2,-0.3 2,-0.6 -0.982 12.1-172.3-122.8 112.9 125.3 36.8 69.2 272 281 A I E -OP 344 374I 0 72,-3.0 72,-3.4 -2,-0.5 2,-0.3 -0.953 17.3-153.3-100.0 122.8 127.4 38.2 66.4 273 282 A T E -OP 343 373I 6 100,-2.2 100,-1.0 -2,-0.6 70,-0.2 -0.752 4.0-153.3 -94.8 145.9 129.0 41.4 67.5 274 283 A L E -O 342 0I 0 68,-2.3 67,-2.0 -2,-0.3 68,-1.2 -0.979 4.4-155.3-120.5 117.2 130.0 44.2 65.1 275 284 A P + 0 0 42 0, 0.0 66,-0.5 0, 0.0 2,-0.2 0.891 66.2 57.7 -62.7 -58.0 132.9 46.5 66.2 276 285 A K S > S- 0 0 144 94,-0.3 3,-1.0 1,-0.1 4,-0.5 -0.500 73.4-130.6 -88.3 147.7 132.5 49.9 64.3 277 286 A D G > S+ 0 0 24 1,-0.3 3,-1.4 -2,-0.2 4,-0.1 0.939 114.8 56.1 -53.1 -45.9 129.5 52.3 64.4 278 287 A G G > S+ 0 0 39 1,-0.3 3,-2.5 2,-0.1 4,-0.3 0.777 83.3 81.6 -51.0 -37.0 129.9 52.2 60.7 279 288 A D G <> S+ 0 0 14 -3,-1.0 4,-2.6 1,-0.3 -1,-0.3 0.737 70.1 83.4 -52.1 -23.2 129.6 48.4 60.5 280 289 A L H <> S+ 0 0 0 -3,-1.4 4,-2.4 -4,-0.5 -1,-0.3 0.886 88.1 56.1 -41.2 -44.6 125.8 48.8 60.6 281 290 A K H <> S+ 0 0 92 -3,-2.5 4,-1.8 2,-0.2 143,-0.3 0.946 110.8 35.6 -60.4 -62.4 126.0 49.4 56.9 282 291 A Q H > S+ 0 0 75 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.836 114.1 61.6 -62.6 -37.6 127.7 46.2 55.5 283 292 A A H >X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 3,-1.0 0.958 104.5 46.2 -49.5 -59.6 126.0 44.2 58.2 284 293 A V H 3X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.3 -2,-0.2 0.897 107.8 56.3 -56.9 -44.4 122.5 45.0 56.8 285 294 A D H 3< S+ 0 0 59 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.817 109.8 48.1 -52.7 -33.6 123.6 44.3 53.2 286 295 A I H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 3,-0.8 0.950 93.1 72.6 -42.7 -68.8 121.2 40.3 56.3 288 297 A R H 3X S+ 0 0 63 -4,-1.8 4,-2.8 1,-0.3 -1,-0.2 0.658 105.0 32.5 -9.0 -71.7 119.2 40.9 53.0 289 298 A P H 3> S+ 0 0 65 0, 0.0 4,-2.8 0, 0.0 6,-0.4 0.898 118.8 54.7 -68.9 -36.1 120.0 37.5 51.2 290 299 A L H <<>S+ 0 0 13 -4,-1.4 6,-2.1 -3,-0.8 5,-1.4 0.921 116.8 37.3 -63.0 -43.2 120.2 35.6 54.5 291 300 A R H ><5S+ 0 0 26 -4,-2.7 3,-1.0 4,-0.2 -1,-0.2 0.959 120.9 46.6 -63.8 -53.9 116.7 36.8 55.4 292 301 A L H 3<5S+ 0 0 8 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.683 116.5 42.7 -69.7 -25.2 115.4 36.5 51.9 293 302 A G T 3<5S- 0 0 50 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.413 116.2-110.4 -98.5 -3.9 116.9 33.1 51.2 294 303 A M T < 5S+ 0 0 76 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.549 81.5 124.7 88.2 12.1 115.9 31.7 54.6 295 304 A A S > -Q 342 0I 3 143,-2.3 4,-1.1 -2,-0.4 3,-0.8 -0.386 33.8-112.2 -67.0 150.7 122.8 49.6 69.4 305 314 A I H 3> S+ 0 0 0 36,-1.1 4,-2.6 1,-0.2 5,-0.2 0.934 112.0 58.3 -57.3 -46.7 125.3 49.4 72.1 306 315 A L H 3> S+ 0 0 2 139,-0.3 4,-3.3 1,-0.2 -1,-0.2 0.774 98.6 60.0 -57.3 -30.0 123.4 51.6 74.7 307 316 A L H <> S+ 0 0 2 -3,-0.8 4,-1.7 140,-0.2 -1,-0.2 0.996 111.5 39.2 -59.8 -60.0 120.4 49.3 74.6 308 317 A D H >X S+ 0 0 0 -4,-1.1 4,-1.4 1,-0.2 3,-0.5 0.920 117.0 51.6 -49.4 -49.1 122.5 46.4 75.9 309 318 A A H >X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.3 3,-0.6 0.908 107.7 52.2 -57.5 -45.3 124.4 48.8 78.2 310 319 A A H 3< S+ 0 0 1 -4,-3.3 -1,-0.3 1,-0.3 96,-0.2 0.721 103.4 58.0 -65.9 -27.2 121.1 50.1 79.6 311 320 A V H << S+ 0 0 13 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.885 110.2 44.7 -66.9 -33.5 120.0 46.5 80.3 312 321 A L H << S- 0 0 60 -4,-1.4 2,-0.3 -3,-0.6 -2,-0.2 0.800 130.4 -21.7 -87.7 -29.0 123.2 46.1 82.5 313 322 A G S < S- 0 0 15 -4,-1.9 -1,-0.3 1,-0.0 94,-0.0 -0.957 71.1 -92.4-165.9 167.4 123.1 49.3 84.5 314 323 A D - 0 0 70 -2,-0.3 3,-0.3 -3,-0.1 93,-0.2 0.095 49.5 -92.6 -71.4-170.2 121.7 52.9 84.3 315 324 A K S >> S+ 0 0 11 92,-1.8 3,-3.3 91,-0.3 4,-1.8 0.942 123.7 61.2 -71.9 -45.0 123.5 55.9 82.8 316 325 A R T 34 S+ 0 0 185 91,-0.3 -1,-0.2 1,-0.3 92,-0.1 0.714 95.9 63.6 -55.5 -21.2 125.0 56.9 86.2 317 326 A S T 34 S+ 0 0 66 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.2 0.456 112.8 33.6 -81.4 0.2 126.8 53.5 86.3 318 327 A Y T <4 S- 0 0 39 -3,-3.3 2,-0.3 1,-0.4 -2,-0.2 0.624 133.4 -8.2-122.5 -30.7 128.8 54.5 83.1 319 328 A S < - 0 0 32 -4,-1.8 -1,-0.4 2,-0.1 6,-0.0 -0.909 47.7-134.6-165.1 145.8 129.3 58.3 83.5 320 329 A S + 0 0 110 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 0.470 68.7 132.4 -81.0 -3.3 128.2 61.0 85.9 321 330 A R - 0 0 92 -6,-0.1 -2,-0.1 1,-0.1 -3,-0.1 -0.153 48.3-160.3 -42.0 131.3 127.7 63.0 82.6 322 331 A T S S+ 0 0 134 2,-0.1 -1,-0.1 -6,-0.0 3,-0.1 0.634 72.5 63.8 -93.4 -19.2 124.3 64.7 82.3 323 332 A E S S- 0 0 114 1,-0.2 3,-0.1 120,-0.1 120,-0.1 -0.610 104.5 -61.5-104.3 162.8 124.5 65.0 78.5 324 333 A P - 0 0 5 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.039 61.3-100.4 -35.9 140.3 124.6 62.3 75.8 325 334 A L - 0 0 14 1,-0.1 120,-0.2 -4,-0.1 5,-0.0 -0.468 42.3-111.9 -71.4 137.7 127.6 59.9 75.8 326 335 A S > - 0 0 26 -2,-0.2 4,-1.5 -3,-0.1 5,-0.1 -0.105 23.3-110.0 -65.7 165.8 130.3 60.8 73.3 327 336 A D H > S+ 0 0 68 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.926 121.8 48.7 -61.1 -44.2 131.0 58.7 70.3 328 337 A E H > S+ 0 0 131 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.750 104.4 60.9 -64.6 -26.9 134.3 57.6 71.9 329 338 A E H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 100.4 53.1 -71.8 -38.9 132.6 56.8 75.2 330 339 A L H X S+ 0 0 12 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.758 104.6 56.7 -63.2 -25.2 130.4 54.2 73.6 331 340 A D H X S+ 0 0 70 -4,-0.7 4,-1.9 2,-0.2 5,-0.3 0.973 107.1 48.1 -70.2 -48.6 133.6 52.7 72.3 332 341 A K H X S+ 0 0 118 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.869 114.1 47.6 -47.0 -45.5 134.8 52.4 75.9 333 342 A I H X S+ 0 0 5 -4,-2.2 4,-1.3 2,-0.2 6,-0.3 0.914 106.3 56.9 -70.2 -43.8 131.5 50.9 76.9 334 343 A A H ><>S+ 0 0 7 -4,-2.4 5,-2.2 1,-0.2 3,-1.2 0.968 114.3 37.5 -48.8 -66.8 131.5 48.4 74.0 335 344 A K H ><5S+ 0 0 138 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.830 105.5 72.7 -55.6 -33.8 134.9 46.9 75.0 336 345 A Q H 3<5S+ 0 0 110 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.821 115.4 20.3 -51.5 -37.9 133.8 47.3 78.7 337 346 A L T <<5S- 0 0 45 -4,-1.3 -1,-0.3 -3,-1.2 -2,-0.2 0.144 116.3-104.2-123.2 14.9 131.3 44.4 78.5 338 347 A N T < 5S+ 0 0 105 -3,-1.0 -3,-0.2 -4,-0.4 2,-0.2 0.667 77.6 123.3 75.4 23.0 132.8 42.7 75.3 339 348 A L < - 0 0 31 -5,-2.2 -1,-0.2 -6,-0.3 2,-0.1 -0.530 55.7-116.2-103.8 173.0 130.2 43.8 72.8 340 349 A G - 0 0 3 2,-0.2 -1,-0.1 -2,-0.2 -64,-0.1 -0.265 37.4 -96.6 -88.3-173.8 130.4 45.7 69.5 341 350 A R S S+ 0 0 1 -67,-2.0 -36,-1.1 -66,-0.5 2,-0.3 0.509 117.9 23.3 -82.6 -10.6 128.9 49.1 68.5 342 351 A W E S-OQ 274 304I 0 -68,-1.2 -68,-2.3 -38,-0.2 2,-0.4 -0.948 81.9-152.3-150.9 141.0 125.9 47.1 67.1 343 352 A N E -OQ 273 303I 0 -40,-2.5 -40,-3.9 -2,-0.3 2,-0.6 -0.974 1.9-152.2-132.2 132.6 125.0 43.7 68.1 344 353 A F E -OQ 272 302I 1 -72,-3.4 -72,-3.0 -2,-0.4 2,-0.4 -0.852 13.7-178.6-109.1 126.2 123.2 40.9 66.2 345 354 A Y E +OQ 271 301I 1 -44,-1.9 -44,-1.2 -2,-0.6 2,-0.2 -0.922 16.2 140.5-120.9 143.3 121.2 38.3 67.9 346 355 A G E -O 270 0I 0 -76,-1.9 -76,-1.6 -2,-0.4 2,-0.3 -0.812 31.3-134.3-155.9-170.0 119.4 35.4 66.2 347 356 A A E -O 269 0I 1 -78,-0.3 -50,-0.5 -2,-0.2 -49,-0.4 -0.953 10.7-131.0-156.1 163.7 118.6 31.7 66.7 348 357 A L E -O 268 0I 4 -80,-3.4 -80,-1.5 -2,-0.3 2,-0.4 -0.948 22.3-153.7-118.3 135.4 118.6 28.5 64.7 349 358 A Y E +O 267 0I 8 -2,-0.4 -82,-0.2 -82,-0.2 -84,-0.0 -0.933 45.2 21.4-121.7 134.8 115.6 26.1 64.5 350 359 A G S S- 0 0 8 -84,-2.8 -85,-0.1 -2,-0.4 -2,-0.1 -0.726 91.9 -14.4 120.6-162.8 115.3 22.4 63.9 351 360 A P > - 0 0 61 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.215 68.1-100.8 -77.5 165.2 117.6 19.3 64.1 352 361 A E H > S+ 0 0 109 -87,-0.2 4,-2.5 1,-0.2 5,-0.2 0.898 116.4 55.7 -49.2 -53.6 121.4 19.4 64.3 353 362 A P H > S+ 0 0 59 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.901 113.3 41.8 -52.0 -45.9 122.2 18.7 60.6 354 363 A I H > S+ 0 0 22 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.925 112.1 52.0 -65.6 -52.6 120.1 21.7 59.4 355 364 A R H X S+ 0 0 48 -4,-2.0 4,-3.8 1,-0.2 5,-0.2 0.903 107.8 55.8 -49.9 -50.2 121.3 24.2 62.1 356 365 A R H X S+ 0 0 153 -4,-2.5 4,-1.3 -5,-0.2 5,-0.2 0.966 108.7 44.1 -45.7 -66.4 124.8 23.3 61.3 357 366 A V H >X S+ 0 0 27 -4,-1.7 4,-2.6 1,-0.2 3,-0.5 0.895 118.6 43.5 -53.9 -46.9 124.6 24.2 57.6 358 367 A L H 3X S+ 0 0 18 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.978 111.2 54.0 -62.8 -51.7 122.6 27.4 58.2 359 368 A W H 3X S+ 0 0 27 -4,-3.8 4,-0.9 1,-0.3 -1,-0.2 0.593 110.8 48.2 -63.5 -10.5 124.9 28.4 61.1 360 369 A E H < S+ 0 0 28 -4,-1.6 3,-1.0 -5,-0.3 -1,-0.2 0.931 114.4 43.1 -62.0 -47.6 128.6 35.8 55.5 366 375 A F H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.677 95.4 79.1 -74.9 -20.0 129.2 37.9 58.6 367 376 A S T 3< S+ 0 0 63 -4,-1.7 -1,-0.2 1,-0.3 5,-0.2 0.620 75.3 76.6 -64.6 -14.5 132.9 37.2 58.6 368 377 A A T < S+ 0 0 62 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.1 0.760 78.0 87.4 -65.7 -24.8 133.3 39.8 55.8 369 378 A I S X S- 0 0 2 -3,-1.7 3,-1.3 -4,-0.1 2,-0.1 -0.671 90.5-119.0 -79.2 124.8 133.0 42.3 58.6 370 379 A P T 3 S+ 0 0 85 0, 0.0 -94,-0.3 0, 0.0 -2,-0.1 -0.375 92.3 13.7 -66.3 137.9 136.4 43.1 60.1 371 380 A G T 3 S+ 0 0 58 1,-0.2 -98,-0.1 -4,-0.1 -4,-0.1 0.592 86.6 161.1 74.9 9.9 136.7 42.3 63.9 372 381 A V < - 0 0 23 -3,-1.3 2,-0.3 -5,-0.2 -98,-0.2 -0.088 19.0-164.7 -55.7 160.1 133.5 40.3 64.0 373 382 A K E -P 273 0I 122 -100,-1.0 -100,-2.2 2,-0.0 2,-0.5 -0.934 9.0-146.4-159.1 132.5 133.0 37.8 67.0 374 383 A F E -P 272 0I 57 -2,-0.3 2,-0.4 -102,-0.2 -102,-0.2 -0.868 16.2-179.8-113.4 124.0 130.6 34.9 67.5 375 384 A Y E -P 271 0I 35 -104,-2.7 -104,-2.5 -2,-0.5 -2,-0.0 -0.975 14.8-159.4-125.3 124.5 129.2 33.9 70.9 376 385 A F > - 0 0 61 -2,-0.4 3,-1.0 -106,-0.2 -106,-0.2 -0.555 47.4 -96.8 -79.7 159.7 126.8 31.1 71.9 377 386 A P G > S+ 0 0 12 0, 0.0 3,-1.9 0, 0.0 10,-0.1 0.901 124.1 59.5 -43.1 -50.4 125.0 31.7 75.2 378 387 A E G 3 S+ 0 0 156 1,-0.3 9,-0.0 9,-0.0 -3,-0.0 0.838 96.5 62.9 -47.1 -42.6 127.5 29.5 77.1 379 388 A D G < S+ 0 0 106 -3,-1.0 -1,-0.3 2,-0.0 0, 0.0 0.346 95.2 74.1 -68.9 3.8 130.4 31.9 76.1 380 389 A T S < S- 0 0 18 -3,-1.9 -42,-0.0 -4,-0.2 4,-0.0 -0.877 86.9 -87.6-126.6 157.5 129.0 35.0 77.9 381 390 A P > - 0 0 84 0, 0.0 3,-3.1 0, 0.0 6,-0.2 -0.100 45.5-100.2 -63.4 153.5 128.8 36.3 81.6 382 391 A E T 3 S+ 0 0 190 1,-0.3 -2,-0.0 5,-0.1 5,-0.0 0.786 121.9 51.4 -35.4 -44.9 125.8 35.5 83.9 383 392 A N T 3 S+ 0 0 101 4,-0.1 -1,-0.3 3,-0.0 5,-0.1 0.491 84.6 146.5 -80.4 -2.0 124.1 38.9 83.3 384 393 A S <> - 0 0 11 -3,-3.1 4,-1.8 1,-0.1 5,-0.1 0.178 53.6-143.7 -46.7 140.9 124.3 38.6 79.5 385 394 A V H > S+ 0 0 4 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.889 107.9 59.8 -66.5 -35.4 121.7 40.0 77.0 386 395 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.896 104.8 49.9 -52.1 -39.4 122.5 36.8 74.9 387 396 A R H > S+ 0 0 76 -6,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.924 113.5 43.7 -70.3 -43.9 121.3 34.8 78.0 388 397 A V H >X S+ 0 0 10 -4,-1.8 3,-1.5 1,-0.2 4,-1.3 0.990 118.4 43.9 -60.3 -62.1 118.1 36.8 78.3 389 398 A R H 3X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.3 -2,-0.2 0.840 101.1 67.9 -54.6 -34.3 117.4 36.8 74.6 390 399 A D H 3< S+ 0 0 30 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.818 107.5 42.5 -59.4 -28.2 118.3 33.0 74.3 391 400 A K H X<>S+ 0 0 96 -3,-1.5 5,-2.4 -4,-0.8 3,-1.3 0.808 112.2 55.2 -73.8 -38.2 115.1 32.5 76.3 392 401 A T H ><5S+ 0 0 0 -4,-1.3 3,-2.0 1,-0.3 -233,-0.5 0.930 101.6 53.9 -71.1 -40.9 113.2 35.1 74.3 393 402 A M T 3<5S+ 0 0 0 -4,-2.9 -1,-0.3 1,-0.3 -3,-0.1 0.219 107.6 54.0 -83.7 19.7 113.8 33.6 70.9 394 403 A Q T < 5S- 0 0 46 -3,-1.3 -237,-0.3 -5,-0.2 -1,-0.3 0.137 124.1 -99.6-131.1 16.6 112.4 30.3 72.2 395 404 A G T < 5S+ 0 0 3 -3,-2.0 -3,-0.2 1,-0.3 -238,-0.2 0.603 72.5 145.8 79.8 15.2 109.1 31.8 73.5 396 405 A I < - 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0 0 0 44,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.983 66.4-167.1 76.8 85.0 100.9 48.1 48.2 743 200 B M - 0 0 0 65,-0.2 12,-1.9 -3,-0.1 2,-0.4 -0.744 12.4-145.1 -96.7 148.3 97.7 48.0 46.1 744 201 B E E -HI 754 807Q 0 63,-3.1 62,-2.4 -2,-0.3 63,-1.1 -0.937 25.0-179.5-109.2 136.7 96.2 50.8 44.0 745 202 B V E -HI 753 805Q 0 8,-3.4 8,-2.6 -2,-0.4 2,-0.6 -0.993 29.3-142.2-140.8 137.0 92.4 51.0 43.8 746 203 B V E -HI 752 804Q 0 58,-3.8 58,-2.2 -2,-0.4 6,-0.2 -0.893 33.9-139.9 -93.1 122.1 89.8 53.1 42.2 747 204 B L E > - I 0 803Q 7 4,-3.4 3,-2.1 -2,-0.6 56,-0.1 -0.312 22.8-105.0 -78.1 165.4 87.0 53.5 44.7 748 205 B A T 3 S+ 0 0 0 54,-0.6 331,-0.1 1,-0.3 -114,-0.1 0.823 123.0 55.5 -57.9 -31.2 83.2 53.4 44.0 749 206 B N T 3 S- 0 0 75 329,-0.3 -1,-0.3 2,-0.1 330,-0.1 0.506 123.0-105.4 -81.8 -6.2 83.2 57.2 44.4 750 207 B G S < S+ 0 0 13 -3,-2.1 -2,-0.1 1,-0.3 -119,-0.1 0.196 76.3 129.6 108.0 -16.8 85.9 57.6 41.7 751 208 B E - 0 0 93 -5,-0.1 -4,-3.4 1,-0.1 2,-0.4 -0.389 55.2-124.4 -78.5 148.4 88.9 58.4 44.0 752 209 B L E -H 746 0Q 1 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.775 29.6-178.9 -91.8 135.4 92.2 56.7 43.8 753 210 B L E -H 745 0Q 0 -8,-2.6 -8,-3.4 -2,-0.4 2,-0.4 -0.998 15.0-163.2-132.0 135.0 93.6 55.1 46.8 754 211 B R E -H 744 0Q 2 -2,-0.4 -10,-0.2 -10,-0.2 2,-0.2 -0.946 23.1-140.5-108.3 149.0 96.9 53.2 47.5 755 212 B T > + 0 0 0 -12,-1.9 3,-2.1 -2,-0.4 33,-0.1 -0.516 55.7 3.4-107.6 165.9 97.1 51.0 50.6 756 213 B G G > S- 0 0 4 1,-0.3 3,-1.3 31,-0.2 33,-0.3 -0.404 137.4 -11.9 64.7-132.1 99.7 50.2 53.3 757 214 B M G > S+ 0 0 1 28,-0.8 3,-0.6 25,-0.5 22,-0.4 0.386 122.0 88.1 -80.9 3.2 102.9 52.3 52.7 758 215 B G G < S+ 0 0 3 -3,-2.1 -1,-0.3 24,-0.3 -2,-0.2 0.744 81.4 60.1 -60.7 -24.4 101.3 53.1 49.4 759 216 B A G < S+ 0 0 1 -3,-1.3 -249,-3.2 23,-0.1 -1,-0.2 0.690 84.9 87.8 -80.0 -18.3 99.7 55.9 51.4 760 217 B L S < S- 0 0 5 -3,-0.6 19,-0.7 -252,-0.2 -252,-0.2 -0.745 84.5-129.6 -78.5 113.9 103.1 57.4 52.2 761 218 B P - 0 0 38 0, 0.0 -271,-0.1 0, 0.0 17,-0.1 -0.357 14.7-114.2 -65.9 143.3 104.0 59.7 49.4 762 219 B D - 0 0 49 15,-0.5 3,-0.1 17,-0.1 17,-0.1 -0.672 50.3-100.0 -70.9 130.1 107.4 59.4 47.6 763 220 B P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -275,-0.1 -0.194 46.2 -87.9 -57.7 146.9 109.1 62.7 48.5 764 221 B K + 0 0 182 -3,-0.1 3,-0.0 3,-0.0 5,-0.0 -0.240 53.0 159.5 -57.8 135.8 109.0 65.5 45.9 765 222 B R > - 0 0 108 -3,-0.1 3,-1.3 1,-0.0 4,-0.3 -0.956 50.6-104.8-148.4 157.7 111.8 65.7 43.2 766 223 B P G > S+ 0 0 108 0, 0.0 3,-1.2 0, 0.0 -1,-0.0 0.801 113.8 59.9 -50.3 -40.5 111.9 67.5 39.8 767 224 B E G 3 S+ 0 0 140 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.795 109.4 42.6 -59.7 -32.9 111.5 64.3 37.7 768 225 B T G X S+ 0 0 24 -3,-1.3 3,-1.1 3,-0.0 -1,-0.2 0.269 84.0 129.2-102.0 7.0 108.1 63.4 39.3 769 226 B M T < S+ 0 0 115 -3,-1.2 3,-0.1 -4,-0.3 -5,-0.0 -0.421 75.5 4.9 -72.2 135.0 106.4 66.9 39.3 770 227 B G T 3 S+ 0 0 86 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.611 87.5 150.7 70.2 12.1 103.0 67.4 37.9 771 228 B L < - 0 0 69 -3,-1.1 -1,-0.3 1,-0.1 5,-0.1 -0.589 56.4-105.4 -72.1 134.7 102.5 63.6 37.2 772 229 B K >> - 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0 0 56 -2,-0.3 3,-0.6 -3,-0.1 4,-0.3 0.106 43.8 -99.8 -55.3 173.3 89.8 11.5 27.8 867 324 B K G >> S+ 0 0 21 91,-0.4 3,-2.0 92,-0.4 4,-1.9 0.884 116.5 65.7 -65.9 -39.0 87.2 9.2 29.5 868 325 B R G 34 S+ 0 0 197 1,-0.3 -1,-0.2 2,-0.2 91,-0.0 0.752 97.3 55.7 -60.9 -25.4 86.3 7.3 26.3 869 326 B S G <4 S+ 0 0 80 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.2 0.622 111.7 42.2 -80.8 -14.7 89.8 5.8 26.0 870 327 B Y T <4 S- 0 0 47 -3,-2.0 2,-0.3 1,-0.4 -2,-0.2 0.802 130.6 -8.9 -99.7 -39.0 89.7 4.3 29.5 871 328 B S < - 0 0 21 -4,-1.9 -1,-0.4 2,-0.1 6,-0.0 -0.970 48.0-142.4-157.4 150.8 86.1 2.9 29.6 872 329 B S + 0 0 114 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 0.532 61.0 128.6 -91.6 -6.2 83.1 3.1 27.4 873 330 B R - 0 0 108 -6,-0.1 -2,-0.1 1,-0.1 4,-0.1 -0.011 51.3-154.3 -59.6 151.3 80.7 3.2 30.4 874 331 B T S S+ 0 0 128 2,-0.1 -1,-0.1 3,-0.0 3,-0.1 0.816 78.5 66.4 -91.5 -39.2 78.0 5.8 30.9 875 332 B E S S- 0 0 114 1,-0.2 121,-0.1 120,-0.0 3,-0.1 -0.116 103.1 -76.1 -69.7 173.4 77.8 5.5 34.7 876 333 B P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.260 59.5 -87.8 -70.0 166.2 80.8 6.5 37.0 877 334 B L - 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