==== 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 FLAVOENZYME 10-APR-97 1VAO . COMPND 2 MOLECULE: VANILLYL-ALCOHOL OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PENICILLIUM SIMPLICISSIMUM; . AUTHOR A.MATTEVI . 1100 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 766 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 13.6 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 . 86 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 148 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 278 25.3 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 2 0 2 2 4 2 0 2 0 2 4 2 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 6 4 8 6 2 4 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 0 0 4 0 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 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 19,-0.1 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 140.6 80.7 57.5 92.1 2 7 A F + 0 0 149 1,-0.2 15,-0.2 32,-0.1 18,-0.1 0.800 360.0 3.9 -49.6 -64.6 80.2 61.2 92.3 3 8 A R - 0 0 167 13,-0.1 -1,-0.2 31,-0.0 10,-0.0 -0.718 56.3-154.4-151.0 102.1 82.5 63.8 90.4 4 9 A P - 0 0 20 0, 0.0 32,-0.3 0, 0.0 3,-0.2 0.006 25.7-124.7 -60.3 172.0 85.4 63.1 88.1 5 10 A L S S+ 0 0 101 30,-2.2 2,-0.4 1,-0.3 31,-0.1 0.796 99.3 29.4 -87.1 -33.2 88.3 65.4 87.4 6 11 A T - 0 0 40 29,-0.5 -1,-0.3 56,-0.3 29,-0.1 -0.978 67.1-159.5-141.4 130.0 87.5 65.2 83.7 7 12 A L - 0 0 58 -2,-0.4 102,-0.2 -3,-0.2 3,-0.2 -0.805 27.1-114.7-100.7 136.3 84.3 64.6 81.7 8 13 A P > - 0 0 4 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.048 62.0 -53.8 -57.5 170.3 84.1 63.4 78.2 9 14 A P T 3 S- 0 0 32 0, 0.0 3,-0.1 0, 0.0 99,-0.0 -0.273 115.0 -11.7 -62.9 137.9 82.8 65.8 75.5 10 15 A K T 3 S+ 0 0 186 1,-0.2 2,-0.6 -3,-0.2 0, 0.0 0.555 93.3 136.8 57.2 13.4 79.4 67.4 76.1 11 16 A L < - 0 0 18 -3,-1.3 -1,-0.2 4,-0.0 -4,-0.1 -0.782 47.0-137.4 -93.7 128.0 78.4 65.2 79.0 12 17 A S > - 0 0 62 -2,-0.6 4,-2.6 1,-0.1 5,-0.2 -0.293 22.9-113.2 -74.7 165.1 76.8 66.8 82.0 13 18 A L H > S+ 0 0 75 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.918 118.6 50.8 -62.6 -41.4 77.7 65.9 85.5 14 19 A S H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 109.7 51.8 -62.7 -43.6 74.3 64.3 86.1 15 20 A D H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 5,-0.4 0.920 107.6 50.9 -60.9 -37.8 74.7 62.3 82.9 16 21 A F H X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.2 -2,-0.2 0.980 113.3 47.2 -59.7 -52.8 78.1 61.1 84.0 17 22 A N H X S+ 0 0 50 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.743 111.5 49.3 -59.9 -27.6 76.4 60.1 87.3 18 23 A E H X S+ 0 0 87 -4,-2.3 4,-1.9 2,-0.2 3,-0.3 0.977 114.8 42.6 -75.3 -52.3 73.5 58.4 85.7 19 24 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.3 3,-0.4 0.951 112.2 56.8 -51.4 -53.5 75.6 56.3 83.2 20 25 A I H X S+ 0 0 0 -4,-3.5 4,-1.4 -5,-0.4 -1,-0.3 0.880 108.1 46.3 -50.8 -40.7 78.0 55.6 86.0 21 26 A Q H X S+ 0 0 104 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.2 0.851 107.2 54.9 -69.4 -37.8 75.2 54.1 88.2 22 27 A D H X S+ 0 0 54 -4,-1.9 4,-2.0 -3,-0.4 -1,-0.2 0.916 110.6 50.4 -60.8 -45.3 73.7 52.0 85.5 23 28 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.3 5,-0.4 0.840 103.5 53.5 -65.8 -35.9 77.1 50.6 85.1 24 29 A I H X S+ 0 0 38 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.947 109.6 53.1 -63.8 -40.8 77.8 49.8 88.7 25 30 A R H < S+ 0 0 223 -4,-2.1 -2,-0.3 2,-0.2 -1,-0.2 0.890 114.3 41.7 -60.8 -38.9 74.5 47.9 88.5 26 31 A I H < S+ 0 0 41 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.997 130.5 18.8 -72.7 -61.5 75.9 46.0 85.5 27 32 A V H < S- 0 0 4 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.552 107.4-102.1 -86.8 -12.3 79.5 45.2 86.5 28 33 A G >< - 0 0 30 -4,-2.7 3,-2.5 -5,-0.4 39,-0.2 0.090 33.1 -90.3 100.2 144.3 79.6 45.6 90.3 29 34 A S G > S+ 0 0 71 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.829 128.0 62.7 -54.8 -28.1 81.0 48.4 92.4 30 35 A E G 3 S+ 0 0 144 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.600 94.1 58.9 -70.2 -19.4 84.2 46.5 92.2 31 36 A N G < S+ 0 0 19 -3,-2.5 36,-3.5 -7,-0.1 2,-0.4 0.242 102.8 61.1 -98.3 13.4 84.4 46.8 88.5 32 37 A V E < +A 66 0A 23 -3,-1.2 2,-0.4 34,-0.2 34,-0.2 -0.991 47.3 178.2-150.3 142.0 84.5 50.5 88.5 33 38 A E E -A 65 0A 126 32,-2.2 32,-4.7 -2,-0.4 2,-0.2 -0.954 15.1-156.6-144.6 113.2 86.6 53.4 89.7 34 39 A V E -A 64 0A 15 -2,-0.4 2,-0.7 30,-0.3 30,-0.3 -0.568 21.8-126.6 -83.2 148.1 85.7 57.0 88.9 35 40 A I 0 0 24 28,-3.0 -30,-2.2 -2,-0.2 -29,-0.5 -0.817 360.0 360.0-110.3 95.9 88.6 59.4 89.1 36 41 A S 0 0 88 -2,-0.7 -31,-0.1 -32,-0.3 -34,-0.0 -0.503 360.0 360.0 -84.7 360.0 87.8 62.4 91.4 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 0 136 0, 0.0 10,-0.1 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 149.8 100.1 59.0 90.1 39 48 A D - 0 0 24 11,-0.1 11,-0.1 12,-0.1 13,-0.0 0.235 360.0-171.9 -42.5 169.3 101.9 56.7 87.6 40 49 A G - 0 0 54 6,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.236 22.5 -40.2-139.2 -97.5 102.6 53.3 88.8 41 50 A S - 0 0 51 3,-1.6 -1,-0.0 1,-0.1 0, 0.0 -0.997 21.0-138.1-149.2 147.8 104.5 50.1 87.7 42 51 A Y S S+ 0 0 49 -2,-0.3 -1,-0.1 1,-0.2 55,-0.0 0.855 123.3 47.2 -63.0 -29.5 105.3 48.0 84.7 43 52 A M S S+ 0 0 133 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.874 129.5 20.9 -78.0 -40.1 104.6 45.5 87.5 44 53 A K S S- 0 0 168 2,-0.0 -3,-1.6 0, 0.0 -1,-0.3 -0.664 93.5-158.4-133.0 78.4 101.4 47.2 88.6 45 54 A P - 0 0 33 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.156 11.9-120.5 -60.4 145.8 100.4 49.2 85.7 46 55 A T - 0 0 22 48,-0.1 56,-0.7 3,-0.1 57,-0.1 -0.680 15.5-166.4 -88.4 139.5 98.1 52.3 85.8 47 56 A H S S+ 0 0 47 -2,-0.3 -1,-0.1 1,-0.1 15,-0.1 0.665 76.4 68.0 -98.4 -20.2 94.9 52.4 83.9 48 57 A T S S- 0 0 27 -10,-0.1 14,-1.9 55,-0.1 2,-0.3 0.684 108.4 -24.9 -72.4 -25.3 94.1 56.1 84.2 49 58 A H S S- 0 0 7 12,-0.2 53,-0.6 54,-0.1 -3,-0.1 -0.953 82.8 -51.1-170.0-176.0 96.9 57.8 82.2 50 59 A D > - 0 0 5 10,-0.5 3,-0.6 7,-0.4 51,-0.2 -0.643 35.1-171.0 -77.6 117.2 100.3 57.7 80.7 51 60 A P T 3 S+ 0 0 16 0, 0.0 -12,-0.1 0, 0.0 -1,-0.1 0.789 90.1 50.8 -79.5 -32.0 103.0 56.8 83.4 52 61 A H T 3 S- 0 0 31 361,-0.1 2,-0.3 360,-0.0 360,-0.1 -0.360 93.7-177.8 -95.5 35.7 105.9 57.6 81.0 53 62 A H < + 0 0 10 -3,-0.6 4,-0.1 1,-0.1 419,-0.1 -0.319 29.6 176.4 -59.4 120.7 104.2 60.8 80.3 54 63 A V S S+ 0 0 2 -2,-0.3 422,-0.2 2,-0.1 -1,-0.1 0.781 78.1 45.6 -78.5 -44.1 105.7 63.3 77.7 55 64 A M S S- 0 0 16 1,-0.3 2,-0.1 2,-0.1 417,-0.0 -0.116 123.8 -49.3 -84.1-165.7 102.9 65.8 78.0 56 65 A D > - 0 0 95 1,-0.1 3,-2.0 -2,-0.1 4,-0.5 -0.392 61.4-109.3 -69.0 147.7 101.6 66.8 81.4 57 66 A Q T 3 S+ 0 0 61 1,-0.3 3,-0.4 2,-0.2 -7,-0.4 0.870 117.5 33.2 -45.9 -56.1 100.7 63.9 83.7 58 67 A D T 3 S+ 0 0 97 1,-0.2 -1,-0.3 -9,-0.1 3,-0.2 0.167 88.6 111.2 -89.1 17.2 96.9 64.2 83.6 59 68 A Y S < S+ 0 0 81 -3,-2.0 2,-0.7 1,-0.3 -1,-0.2 0.960 86.0 30.6 -56.2 -53.2 97.1 65.5 80.0 60 69 A F S S+ 0 0 7 -4,-0.5 -10,-0.5 -3,-0.4 2,-0.4 -0.935 93.7 161.0-107.3 115.2 95.5 62.3 78.7 61 70 A L - 0 0 10 -2,-0.7 47,-3.1 -3,-0.2 48,-0.3 -0.981 36.4-124.5-148.7 140.6 93.1 61.0 81.4 62 71 A A - 0 0 0 -14,-1.9 -56,-0.3 -2,-0.4 -57,-0.3 -0.268 6.6-150.0 -71.2 153.8 90.2 58.8 82.1 63 72 A S S S- 0 0 0 46,-3.2 -28,-3.0 1,-0.4 2,-0.3 0.860 83.2 -8.4 -89.6 -36.3 87.0 59.9 83.8 64 73 A A E -Ab 34 110A 0 45,-0.8 47,-2.6 -30,-0.3 2,-0.6 -0.997 64.1-124.8-155.0 152.5 86.4 56.4 85.2 65 74 A I E -Ab 33 111A 16 -32,-4.7 -32,-2.2 -2,-0.3 2,-0.5 -0.906 27.6-169.5-104.1 128.7 87.8 52.9 85.0 66 75 A V E -Ab 32 112A 0 45,-3.3 47,-0.6 -2,-0.6 -34,-0.2 -0.941 11.8-162.4-130.0 121.3 85.5 50.0 84.1 67 76 A A - 0 0 4 -36,-3.5 47,-0.1 -2,-0.5 45,-0.1 -0.779 12.7-150.5 -99.6 93.6 86.1 46.3 84.3 68 77 A P - 0 0 0 0, 0.0 49,-0.5 0, 0.0 50,-0.2 -0.219 5.2-150.1 -56.8 134.8 83.6 44.2 82.2 69 78 A R S S- 0 0 114 1,-0.2 2,-0.3 48,-0.1 -42,-0.0 0.742 72.6 -16.8 -83.2 -20.4 83.2 40.8 83.9 70 79 A N S >> S- 0 0 53 48,-0.1 4,-1.3 1,-0.1 3,-0.8 -0.969 85.8 -72.5-166.7 176.9 82.5 39.1 80.5 71 80 A V H 3> S+ 0 0 5 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.855 122.0 61.3 -56.0 -31.6 81.5 39.7 76.9 72 81 A A H 3> S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 100.6 52.9 -59.7 -40.0 77.9 40.6 77.8 73 82 A D H <> S+ 0 0 6 -3,-0.8 4,-4.0 2,-0.2 5,-0.3 0.927 105.5 53.9 -58.6 -44.9 79.0 43.5 79.9 74 83 A V H X S+ 0 0 1 -4,-1.3 4,-2.7 1,-0.3 5,-0.2 0.953 108.4 49.9 -56.4 -49.4 81.0 44.9 77.0 75 84 A Q H X S+ 0 0 58 -4,-2.3 4,-1.3 1,-0.2 -1,-0.3 0.884 114.1 47.2 -57.5 -34.8 77.8 44.7 75.0 76 85 A S H X S+ 0 0 55 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.892 109.9 49.6 -71.7 -44.0 76.0 46.5 77.8 77 86 A I H X S+ 0 0 0 -4,-4.0 4,-3.5 1,-0.2 5,-0.2 0.969 110.4 51.8 -64.5 -44.0 78.5 49.2 78.3 78 87 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.855 107.2 52.2 -58.9 -34.3 78.5 49.9 74.6 79 88 A G H X S+ 0 0 41 -4,-1.3 4,-1.3 -5,-0.2 -1,-0.2 0.945 114.4 43.3 -66.3 -45.7 74.7 50.2 74.5 80 89 A L H X S+ 0 0 20 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.884 110.2 55.2 -66.2 -39.9 74.9 52.7 77.3 81 90 A A H X>S+ 0 0 0 -4,-3.5 5,-1.6 1,-0.2 4,-1.1 0.908 108.8 48.6 -63.2 -36.4 77.9 54.5 75.8 82 91 A N H <5S+ 0 0 35 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.789 108.3 56.3 -72.3 -23.6 75.8 54.9 72.6 83 92 A K H <5S+ 0 0 149 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.987 122.0 24.3 -68.3 -53.8 72.9 56.2 74.7 84 93 A F H <5S- 0 0 22 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.418 103.9-119.1 -87.9 -2.0 74.9 59.0 76.3 85 94 A S T <5 + 0 0 64 -4,-1.1 -3,-0.2 -5,-0.3 -4,-0.1 0.967 55.5 161.8 62.5 39.9 77.5 59.4 73.7 86 95 A F < - 0 0 0 -5,-1.6 2,-0.2 -6,-0.2 -1,-0.2 -0.875 36.3-126.3 -95.1 126.1 80.3 58.5 76.2 87 96 A P - 0 0 2 0, 0.0 23,-2.4 0, 0.0 2,-0.3 -0.589 17.8-143.9 -86.3 145.1 83.5 57.4 74.5 88 97 A L E -cd 110 532A 0 443,-3.7 445,-2.6 -2,-0.2 23,-0.2 -0.755 10.2-164.8 -98.7 146.9 85.2 54.1 75.3 89 98 A W E -c 111 0A 23 21,-1.8 23,-3.1 -2,-0.3 2,-0.4 -0.863 17.5-159.5-137.4 95.3 89.0 53.5 75.4 90 99 A P E +c 112 0A 39 0, 0.0 2,-0.3 0, 0.0 23,-0.1 -0.609 15.3 172.6 -78.9 129.6 89.5 49.7 75.4 91 100 A I E -c 113 0A 15 21,-1.9 23,-2.0 -2,-0.4 24,-0.6 -0.938 23.8-157.7-134.2 153.0 92.8 48.3 76.7 92 101 A S S S- 0 0 18 -2,-0.3 23,-0.7 22,-0.2 -1,-0.1 0.845 90.4 -19.9 -93.5 -52.8 93.8 44.6 77.3 93 102 A I S S- 0 0 26 22,-0.1 9,-0.1 21,-0.1 -2,-0.1 0.580 79.5-130.5-130.6 -27.3 96.6 45.1 79.8 94 103 A G + 0 0 12 7,-0.2 8,-0.4 1,-0.1 -48,-0.1 0.638 64.7 129.1 85.7 7.5 97.7 48.7 79.4 95 104 A R + 0 0 58 1,-0.2 2,-0.6 6,-0.2 -1,-0.1 0.092 25.8 121.0 -85.1 28.5 101.4 48.1 79.1 96 105 A N > > + 0 0 48 3,-0.1 5,-2.2 2,-0.1 3,-2.1 -0.017 36.9 153.3 -79.6 36.6 101.6 50.2 75.9 97 106 A S T 3 5 + 0 0 18 -2,-0.6 317,-0.1 3,-0.3 -2,-0.0 -0.301 62.2 45.5 -56.5 152.1 104.1 52.5 77.9 98 107 A G B 3 5S+e 414 0B 1 315,-0.5 317,-1.7 -46,-0.1 -1,-0.3 0.062 121.8 46.0 91.9 -21.4 106.4 54.1 75.2 99 108 A Y T < 5S- 0 0 12 -3,-2.1 399,-1.5 315,-0.1 -2,-0.2 0.316 138.0 -67.9-131.7 -0.1 103.1 54.7 73.3 100 109 A G T > 5 - 0 0 1 -4,-0.4 3,-1.1 397,-0.2 -3,-0.3 0.175 58.3-135.0 133.7 -21.3 100.8 56.1 76.0 101 110 A G T 3 S- 0 0 0 428,-0.3 3,-1.2 -46,-0.1 -1,-0.2 -0.835 91.7-131.2 -95.5 114.5 90.3 61.8 74.4 107 116 A S T 3 S+ 0 0 30 -2,-0.6 -45,-0.2 1,-0.2 3,-0.1 -0.349 89.4 37.4 -67.0 145.9 90.4 62.8 78.1 108 117 A G T 3 S+ 0 0 0 -47,-3.1 -1,-0.2 1,-0.4 -46,-0.2 0.255 86.4 133.1 96.5 -7.7 87.2 62.1 80.2 109 118 A S < - 0 0 1 -3,-1.2 -46,-3.2 -48,-0.3 -45,-0.8 -0.226 65.8-106.9 -67.9 162.8 86.6 58.8 78.3 110 119 A V E -bc 64 88A 0 -23,-2.4 -21,-1.8 -48,-0.2 2,-0.5 -0.805 29.6-138.7 -91.2 132.9 85.9 55.6 80.2 111 120 A V E -bc 65 89A 0 -47,-2.6 -45,-3.3 -2,-0.5 2,-0.9 -0.789 13.6-154.0 -91.8 128.3 88.9 53.3 80.3 112 121 A L E -bc 66 90A 0 -23,-3.1 -21,-1.9 -2,-0.5 2,-1.5 -0.801 4.2-161.0-102.2 100.7 87.7 49.7 79.8 113 122 A D E > + c 0 91A 15 -2,-0.9 3,-0.5 -47,-0.6 4,-0.5 -0.653 16.4 171.9 -88.2 101.6 90.1 47.2 81.3 114 123 A M T 3> + 0 0 4 -23,-2.0 4,-1.9 -2,-1.5 22,-0.3 0.844 69.5 66.1 -64.6 -42.6 89.1 44.1 79.4 115 124 A G T 34 S+ 0 0 3 -23,-0.7 -1,-0.2 -24,-0.6 -22,-0.1 0.712 84.4 69.7 -58.7 -28.3 92.0 42.2 80.9 116 125 A K T <4 S+ 0 0 94 -3,-0.5 3,-0.3 1,-0.2 -1,-0.2 0.973 120.6 10.5 -58.8 -57.1 91.1 42.2 84.6 117 126 A N T 4 S+ 0 0 54 -4,-0.5 2,-0.7 -49,-0.5 -1,-0.2 0.705 121.4 68.5 -93.1 -24.0 88.1 39.9 84.4 118 127 A M < + 0 0 1 -4,-1.9 18,-2.3 -50,-0.2 19,-0.4 -0.410 63.0 130.1 -95.6 52.9 88.6 38.6 80.9 119 128 A N + 0 0 82 -2,-0.7 2,-0.2 -3,-0.3 -1,-0.2 0.159 29.2 138.3 -84.4 1.9 91.8 36.7 81.5 120 129 A R - 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0 0 12 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.548 50.0-104.3 -77.7 149.7 125.3 63.0 75.9 325 334 A L - 0 0 8 -2,-0.2 2,-0.1 1,-0.1 -6,-0.0 -0.489 40.0-117.1 -72.6 141.3 128.3 60.7 76.0 326 335 A S > - 0 0 32 -2,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.241 26.0-100.2 -76.6 165.1 130.6 61.3 73.1 327 336 A D H > S+ 0 0 68 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.732 123.8 53.4 -62.3 -22.0 131.5 58.8 70.4 328 337 A E H > S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 103.5 54.3 -83.8 -38.2 134.7 58.1 72.3 329 338 A E H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.846 106.9 53.5 -63.5 -26.5 133.0 57.3 75.5 330 339 A L H X S+ 0 0 16 -4,-1.5 4,-3.6 2,-0.2 5,-0.2 0.960 104.7 52.3 -69.0 -49.8 130.8 54.8 73.7 331 340 A D H X S+ 0 0 70 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.891 111.3 51.1 -54.3 -36.0 133.9 53.0 72.3 332 341 A K H X S+ 0 0 97 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.978 111.4 43.5 -67.6 -49.7 135.0 52.8 75.9 333 342 A I H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 6,-0.3 0.934 110.1 58.0 -57.7 -42.4 131.8 51.4 77.3 334 343 A A H X>S+ 0 0 7 -4,-3.6 5,-2.0 1,-0.2 4,-0.6 0.884 108.9 45.7 -53.3 -43.4 131.7 49.0 74.4 335 344 A K H ><5S+ 0 0 152 -4,-1.9 3,-0.8 -5,-0.2 -1,-0.2 0.895 107.8 54.5 -69.3 -41.4 135.1 47.7 75.4 336 345 A Q H 3<5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.881 113.4 45.1 -59.9 -37.5 134.3 47.4 79.1 337 346 A L H 3<5S- 0 0 37 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.575 107.4-123.4 -83.0 -10.8 131.4 45.3 78.1 338 347 A N T <<5S+ 0 0 107 -3,-0.8 -3,-0.2 -4,-0.6 2,-0.2 0.713 74.5 120.0 74.5 15.9 133.1 43.1 75.6 339 348 A L < - 0 0 31 -5,-2.0 -1,-0.3 -6,-0.3 2,-0.1 -0.475 59.6-115.8-104.0 179.3 130.5 44.2 73.1 340 349 A G - 0 0 4 -2,-0.2 3,-0.2 -68,-0.1 -1,-0.2 -0.140 32.1 -99.4 -98.6-169.0 130.6 46.1 69.8 341 350 A R S S+ 0 0 3 -67,-3.1 -36,-1.6 1,-0.4 2,-0.4 0.778 118.4 22.6 -82.2 -35.3 129.4 49.4 68.5 342 351 A W E S-FH 274 304B 0 -68,-1.4 -68,-2.3 -38,-0.2 2,-0.5 -0.997 83.9-151.1-138.2 129.4 126.5 47.6 67.0 343 352 A N E -FH 273 303B 0 -40,-3.6 -40,-3.1 -2,-0.4 2,-0.6 -0.915 1.8-154.7-114.1 120.1 125.5 44.2 68.3 344 353 A F E -FH 272 302B 1 -72,-2.5 -72,-1.5 -2,-0.5 2,-0.4 -0.784 10.8-177.9-100.8 115.2 123.8 41.4 66.4 345 354 A Y E +FH 271 301B 2 -44,-2.5 -44,-2.0 -2,-0.6 2,-0.2 -0.874 16.8 145.8-104.9 137.9 121.6 38.7 68.1 346 355 A G E -F 270 0B 0 -76,-1.7 -76,-2.1 -2,-0.4 2,-0.3 -0.788 28.9-140.3-150.9-174.3 120.0 35.8 66.2 347 356 A A E -F 269 0B 2 -78,-0.3 -50,-0.5 -2,-0.2 -49,-0.5 -0.980 9.7-131.3-159.9 151.0 119.1 32.1 66.9 348 357 A L E -F 268 0B 4 -80,-3.3 -80,-2.0 -2,-0.3 2,-0.4 -0.840 20.8-158.4-106.3 148.8 119.2 28.9 65.0 349 358 A Y E +F 267 0B 11 -2,-0.3 -82,-0.2 -82,-0.2 -84,-0.1 -0.989 41.5 6.5-134.9 135.3 116.3 26.4 64.8 350 359 A G S S+ 0 0 6 -84,-2.6 -85,-0.1 -2,-0.4 5,-0.1 -0.648 95.0 12.3 105.1-164.4 116.0 22.7 64.0 351 360 A P >> - 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