==== 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 1W1M . 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) . 38065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 755 68.6 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 . 151 13.7 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 . 70 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 162 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 24.7 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 1 1 2 4 1 2 1 0 1 4 3 0 5 0 0 1 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 . 8 2 9 7 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 4 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,-0.1 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 148.7 80.3 57.8 92.3 2 7 A F + 0 0 123 1,-0.2 15,-0.2 32,-0.1 18,-0.0 0.747 360.0 40.7 -98.5 -32.7 79.6 61.5 91.6 3 8 A R - 0 0 167 13,-0.1 -1,-0.2 14,-0.0 2,-0.2 -0.768 51.3-178.6-140.8 92.0 82.5 63.8 90.5 4 9 A P - 0 0 17 0, 0.0 32,-0.3 0, 0.0 3,-0.1 -0.490 36.7-121.0 -83.1 155.4 85.3 62.9 88.1 5 10 A L S S+ 0 0 111 30,-2.0 2,-0.4 1,-0.2 31,-0.1 0.861 97.4 30.1 -64.7 -37.6 88.1 65.4 87.3 6 11 A T - 0 0 50 29,-0.3 -1,-0.2 56,-0.2 29,-0.1 -0.984 67.7-153.3-129.8 132.5 87.2 65.3 83.6 7 12 A L - 0 0 66 -2,-0.4 102,-0.1 -3,-0.1 3,-0.1 -0.822 29.0-112.9 -98.5 137.7 84.0 64.8 81.7 8 13 A P > - 0 0 1 0, 0.0 3,-0.9 0, 0.0 100,-0.1 -0.321 59.0 -73.2 -51.5 151.6 83.9 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 -0.147 113.3 10.3 -63.9 145.1 82.6 66.1 75.7 10 15 A K T 3 S+ 0 0 177 1,-0.2 2,-0.5 -3,-0.1 0, 0.0 0.738 99.6 130.7 66.6 24.4 79.0 67.2 75.5 11 16 A L < - 0 0 18 -3,-0.9 -1,-0.2 -4,-0.1 2,-0.1 -0.943 47.5-143.5-122.4 128.6 78.3 65.3 78.7 12 17 A S > - 0 0 52 -2,-0.5 4,-3.2 1,-0.1 5,-0.2 -0.384 23.0-121.9 -81.9 156.6 76.5 66.5 81.9 13 18 A L H > S+ 0 0 90 2,-0.2 4,-3.0 1,-0.2 -1,-0.1 0.857 117.4 51.2 -56.7 -38.2 77.3 65.6 85.5 14 19 A S H > S+ 0 0 92 2,-0.2 4,-0.6 3,-0.2 -1,-0.2 0.865 112.7 44.0 -73.8 -38.1 73.7 64.3 85.7 15 20 A D H >> S+ 0 0 65 2,-0.2 3,-2.6 3,-0.1 4,-2.3 0.989 113.6 49.9 -65.3 -60.9 74.1 62.2 82.7 16 21 A F H 3X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.3 -2,-0.2 0.911 109.7 53.6 -38.0 -58.4 77.6 61.0 83.8 17 22 A N H 3X S+ 0 0 40 -4,-3.0 4,-1.1 2,-0.2 -1,-0.3 0.645 110.6 46.1 -57.5 -19.4 75.9 60.1 87.2 18 23 A E H X S+ 0 0 0 -4,-3.7 4,-1.9 -5,-0.4 3,-1.1 0.925 109.3 52.2 -64.0 -41.4 77.1 50.9 84.9 24 29 A I H 3X S+ 0 0 38 -4,-3.5 4,-1.3 1,-0.3 -2,-0.2 0.846 101.8 59.7 -64.2 -38.3 77.5 49.9 88.6 25 30 A R H 3< S+ 0 0 162 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.626 110.1 44.1 -65.1 -20.0 74.2 48.0 88.6 26 31 A I H << S+ 0 0 46 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.1 0.913 124.8 25.7 -84.1 -64.5 75.6 45.7 85.9 27 32 A V H < S- 0 0 4 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.162 104.5-113.5 -95.5 17.0 79.1 44.9 87.0 28 33 A G >< - 0 0 37 -4,-1.3 3,-0.8 -5,-0.1 -1,-0.2 0.261 34.1 -86.4 66.6 158.7 79.0 45.3 90.8 29 34 A S G > S+ 0 0 76 1,-0.2 3,-2.2 2,-0.1 -1,-0.1 0.953 121.1 68.1 -68.2 -42.7 80.9 48.1 92.6 30 35 A E G 3 S+ 0 0 171 1,-0.3 -1,-0.2 -6,-0.0 -2,-0.1 0.746 102.2 51.8 -48.6 -25.0 84.2 46.2 92.9 31 36 A N G < S+ 0 0 22 -3,-0.8 36,-1.8 -4,-0.5 2,-0.3 0.004 101.1 63.6-104.2 26.4 84.4 46.6 89.1 32 37 A V E < +A 66 0A 22 -3,-2.2 2,-0.4 34,-0.2 34,-0.2 -0.942 52.1 176.7-155.3 125.8 83.9 50.4 88.7 33 38 A E E -A 65 0A 117 32,-1.5 32,-1.5 -2,-0.3 -3,-0.0 -0.911 14.1-156.2-140.3 105.5 86.1 53.3 89.9 34 39 A V E -A 64 0A 16 -2,-0.4 2,-0.5 30,-0.2 30,-0.2 -0.296 21.8-130.9 -64.6 163.8 85.5 57.1 89.2 35 40 A I 0 0 31 28,-1.5 -30,-2.0 -29,-0.1 -29,-0.3 -0.952 360.0 360.0-124.2 113.8 88.6 59.3 89.4 36 41 A S 0 0 105 -2,-0.5 27,-0.0 -32,-0.3 0, 0.0 -0.668 360.0 360.0-124.0 360.0 88.2 62.4 91.5 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 0 152 0, 0.0 10,-0.2 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 123.2 99.3 57.9 90.5 39 48 A D - 0 0 33 1,-0.1 7,-0.5 12,-0.1 10,-0.0 0.565 360.0-166.5 -68.2 -13.0 101.8 56.4 87.9 40 49 A G - 0 0 47 5,-0.1 2,-0.1 3,-0.0 -1,-0.1 0.026 20.3 -90.9 51.6-166.0 101.7 52.8 89.2 41 50 A S - 0 0 65 3,-0.9 5,-0.3 1,-0.1 0, 0.0 -0.349 24.3-105.1-121.4-165.9 104.4 50.3 88.0 42 51 A Y S S+ 0 0 35 3,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.706 122.2 58.6 -89.7 -34.4 104.9 47.7 85.3 43 52 A M S S+ 0 0 144 1,-0.3 -3,-0.0 -3,-0.0 -1,-0.0 0.904 127.1 15.5 -63.0 -37.0 104.2 45.1 88.0 44 53 A K S S- 0 0 178 0, 0.0 -3,-0.9 0, 0.0 -1,-0.3 -0.575 91.2-151.6-134.4 79.7 100.8 46.7 88.6 45 54 A P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 -0.087 12.3-124.5 -55.0 141.0 100.0 49.0 85.6 46 55 A T - 0 0 18 -7,-0.5 56,-0.5 -5,-0.3 57,-0.1 -0.468 12.8-157.5 -83.7 160.5 97.7 52.0 86.1 47 56 A H S S+ 0 0 49 -2,-0.2 17,-0.1 55,-0.1 64,-0.1 0.056 73.3 67.2-129.8 17.7 94.6 52.4 84.0 48 57 A T S S- 0 0 25 1,-0.3 14,-2.2 -10,-0.2 2,-0.3 0.689 104.2 -10.5-110.8 -23.7 93.8 56.2 84.0 49 58 A H S S- 0 0 5 12,-0.2 54,-0.5 54,-0.2 53,-0.5 -0.897 88.5 -52.6-166.3-177.5 96.6 58.0 82.2 50 59 A D - 0 0 3 10,-0.5 3,-0.5 -2,-0.3 51,-0.2 -0.625 34.7-167.0 -87.8 109.3 100.0 57.8 80.6 51 60 A P S S+ 0 0 13 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.954 92.8 40.8 -62.8 -51.9 102.6 56.3 83.0 52 61 A H S S+ 0 0 22 361,-0.1 2,-0.6 413,-0.0 46,-0.3 -0.747 93.6 178.3 -88.9 78.4 105.6 57.4 80.8 53 62 A H + 0 0 9 -2,-1.1 4,-0.1 -3,-0.5 419,-0.1 -0.792 30.6 175.6 -97.2 119.7 104.0 60.7 80.0 54 63 A V S S+ 0 0 1 -2,-0.6 422,-0.2 2,-0.1 -1,-0.2 0.849 76.2 57.2 -82.2 -43.0 105.7 63.3 77.8 55 64 A M S S- 0 0 30 1,-0.2 -2,-0.1 2,-0.1 417,-0.0 0.009 119.5 -45.9 -72.2-174.1 102.6 65.6 77.9 56 65 A D > - 0 0 113 1,-0.1 3,-2.3 2,-0.1 4,-0.5 -0.302 59.4-113.9 -58.5 142.5 101.2 66.9 81.2 57 66 A Q T 3 S+ 0 0 96 1,-0.3 -7,-0.2 2,-0.1 -1,-0.1 0.737 117.6 35.0 -45.6 -32.8 100.8 64.1 83.8 58 67 A D T 3 S+ 0 0 90 1,-0.1 -1,-0.3 -9,-0.1 3,-0.2 -0.096 86.6 106.5-118.0 33.5 97.0 64.4 83.6 59 68 A Y S < S+ 0 0 91 -3,-2.3 2,-0.8 1,-0.2 48,-0.3 0.925 82.5 41.0 -74.4 -48.8 96.7 65.3 79.9 60 69 A F S S+ 0 0 5 -4,-0.5 -10,-0.5 -3,-0.1 2,-0.4 -0.885 88.4 163.6-104.1 106.6 95.3 61.9 78.8 61 70 A L - 0 0 9 -2,-0.8 47,-3.0 -3,-0.2 48,-0.5 -0.981 34.6-141.0-135.7 132.3 92.9 61.0 81.6 62 71 A A - 0 0 1 -14,-2.2 -56,-0.2 -2,-0.4 -57,-0.2 -0.433 8.1-150.4 -76.8 159.3 90.0 58.6 82.2 63 72 A S S S- 0 0 0 46,-2.1 -28,-1.5 1,-0.4 2,-0.3 0.503 83.1 -10.5 -98.4 -17.2 86.9 59.8 84.1 64 73 A A E -Ab 34 110A 0 45,-0.8 47,-2.4 -30,-0.2 -1,-0.4 -0.960 62.1-126.1-169.5 163.4 86.5 56.1 85.3 65 74 A I E -Ab 33 111A 13 -32,-1.5 -32,-1.5 -2,-0.3 2,-0.4 -0.896 23.6-165.8-112.7 143.5 87.8 52.6 84.7 66 75 A V E -Ab 32 112A 0 45,-2.7 47,-2.4 -2,-0.4 -34,-0.2 -0.933 9.4-166.4-137.8 125.1 85.3 49.7 84.0 67 76 A A - 0 0 3 -36,-1.8 2,-0.2 -2,-0.4 47,-0.1 -0.841 13.3-154.1-105.3 95.2 86.0 45.9 84.2 68 77 A P - 0 0 0 0, 0.0 49,-0.4 0, 0.0 50,-0.4 -0.528 9.2-147.4 -64.7 132.5 83.2 43.8 82.5 69 78 A R S S+ 0 0 128 -2,-0.2 2,-0.3 48,-0.1 3,-0.1 0.310 76.9 0.4 -77.5 5.3 83.0 40.3 83.9 70 79 A N S >> S- 0 0 41 1,-0.1 4,-1.5 48,-0.1 3,-0.6 -0.973 81.0 -89.6-179.3 166.7 81.9 38.9 80.4 71 80 A V H 3> S+ 0 0 4 -2,-0.3 4,-2.7 1,-0.3 5,-0.1 0.871 121.3 60.7 -61.8 -37.4 81.2 39.7 76.7 72 81 A A H 3> S+ 0 0 22 2,-0.2 4,-2.7 3,-0.2 -1,-0.3 0.876 104.5 50.2 -56.9 -35.6 77.5 40.3 77.6 73 82 A D H <> S+ 0 0 5 -3,-0.6 4,-2.9 2,-0.2 5,-0.3 1.000 107.1 51.0 -64.0 -67.6 78.8 43.1 79.9 74 83 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.839 113.9 48.9 -24.2 -52.6 81.0 44.7 77.2 75 84 A Q H X S+ 0 0 52 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.941 110.1 48.3 -58.8 -53.5 77.7 44.5 75.1 76 85 A S H X S+ 0 0 58 -4,-2.7 4,-2.2 -3,-0.3 -2,-0.2 0.946 113.3 48.9 -53.2 -54.4 75.5 46.1 77.9 77 86 A I H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.935 107.2 53.4 -49.6 -52.8 78.1 48.9 78.3 78 87 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.946 107.9 54.9 -53.3 -50.7 78.3 49.6 74.5 79 88 A G H X S+ 0 0 40 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.915 111.2 41.8 -35.8 -65.0 74.5 49.9 74.7 80 89 A L H >X S+ 0 0 25 -4,-2.2 4,-2.0 1,-0.2 3,-1.0 0.980 111.8 53.5 -55.0 -59.4 74.7 52.6 77.4 81 90 A A H 3X>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.3 4,-1.7 0.818 108.7 52.1 -45.6 -33.5 77.6 54.5 75.8 82 91 A N H 3<5S+ 0 0 31 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.858 110.0 48.5 -73.6 -35.3 75.5 54.6 72.6 83 92 A K H <<5S+ 0 0 145 -4,-1.6 -2,-0.2 -3,-1.0 -3,-0.1 0.999 123.8 30.7 -60.3 -67.6 72.5 56.0 74.6 84 93 A F H <5S- 0 0 22 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.572 107.0-119.2 -70.4 -11.2 74.6 58.7 76.3 85 94 A S T <5 + 0 0 59 -4,-1.7 -3,-0.2 -5,-0.4 -4,-0.1 0.988 51.8 174.7 63.4 61.0 77.2 59.2 73.5 86 95 A F < - 0 0 0 -5,-2.6 -1,-0.2 -8,-0.2 2,-0.1 -0.911 32.1-124.3-107.5 118.6 80.0 58.1 75.8 87 96 A P - 0 0 2 0, 0.0 23,-1.6 0, 0.0 2,-0.3 -0.443 27.8-164.2 -50.7 125.5 83.6 57.7 74.6 88 97 A L E -cd 110 532A 0 443,-4.5 445,-1.5 21,-0.2 23,-0.2 -0.736 11.0-169.5 -99.2 166.1 84.9 54.2 75.4 89 98 A W E -c 111 0A 25 21,-1.4 23,-1.3 -2,-0.3 2,-0.2 -0.577 14.0-155.4-154.7 86.2 88.6 53.3 75.3 90 99 A P E +c 112 0A 39 0, 0.0 2,-0.3 0, 0.0 23,-0.2 -0.477 16.0 175.0 -70.2 128.7 89.2 49.5 75.5 91 100 A I E -c 113 0A 15 21,-2.9 23,-2.4 -2,-0.2 24,-0.4 -0.907 21.7-160.6-118.8 153.3 92.5 48.2 76.8 92 101 A S S S- 0 0 17 -2,-0.3 23,-0.6 22,-0.2 -1,-0.1 0.784 91.3 -16.1 -88.5 -42.4 93.4 44.5 77.5 93 102 A I S S- 0 0 28 22,-0.1 9,-0.1 21,-0.1 20,-0.1 0.381 75.1-139.8-148.4 -12.9 96.3 45.1 79.9 94 103 A G + 0 0 11 1,-0.2 8,-0.5 7,-0.2 9,-0.2 0.588 61.2 130.4 58.5 9.6 97.2 48.7 79.4 95 104 A R + 0 0 58 6,-0.2 2,-2.5 1,-0.1 -1,-0.2 0.219 26.8 127.2 -74.3 19.3 100.9 47.9 79.5 96 105 A N > > + 0 0 49 4,-0.1 5,-3.2 3,-0.1 3,-1.2 -0.224 37.5 169.7 -78.2 56.6 101.4 50.0 76.2 97 106 A S T 3 5 + 0 0 18 -2,-2.5 317,-0.1 3,-0.3 -44,-0.1 -0.385 60.5 28.3 -74.2 145.1 104.1 52.2 77.7 98 107 A G T 3 5S+ 0 0 0 -46,-0.3 317,-2.1 -2,-0.1 -1,-0.3 0.563 123.0 57.0 79.1 7.8 106.1 54.5 75.4 99 108 A Y T < 5S- 0 0 15 -3,-1.2 399,-0.8 315,-0.2 -2,-0.2 0.078 137.7 -80.9-142.0 0.8 102.9 54.5 73.3 100 109 A G T > 5 - 0 0 0 397,-0.2 3,-1.3 -48,-0.2 -3,-0.3 0.483 49.5-129.9 116.0 7.3 100.9 55.7 76.2 101 110 A G T 3 S- 0 0 2 428,-0.2 3,-0.9 -46,-0.1 -1,-0.2 -0.861 92.9-131.3-103.5 99.2 90.3 61.4 74.4 107 116 A S T 3 S+ 0 0 27 -2,-0.7 -45,-0.2 -48,-0.3 3,-0.1 0.137 91.4 43.9 -34.1 150.0 90.2 62.3 78.2 108 117 A G T 3 S+ 0 0 0 -47,-3.0 -1,-0.2 1,-0.2 -46,-0.2 0.401 85.7 135.7 82.6 -5.7 86.9 61.7 80.0 109 118 A S < - 0 0 0 -3,-0.9 -46,-2.1 -48,-0.5 -45,-0.8 -0.129 63.6-113.7 -65.9 165.4 86.6 58.3 78.3 110 119 A V E -bc 64 88A 0 -23,-1.6 -21,-1.4 -48,-0.2 2,-0.4 -0.929 28.7-139.7 -98.3 108.3 85.6 55.2 80.2 111 120 A V E -bc 65 89A 0 -47,-2.4 -45,-2.7 -2,-0.7 2,-0.8 -0.591 12.0-146.1 -69.2 126.8 88.6 53.0 80.1 112 121 A L E -bc 66 90A 0 -23,-1.3 -21,-2.9 -2,-0.4 2,-1.2 -0.896 5.2-155.9 -90.7 111.5 87.3 49.5 79.6 113 122 A D E + c 0 91A 11 -47,-2.4 4,-0.4 -2,-0.8 5,-0.2 -0.816 20.6 171.7 -85.6 94.8 89.6 47.2 81.5 114 123 A M > + 0 0 3 -23,-2.4 4,-1.3 -2,-1.2 3,-0.4 0.830 68.1 57.1 -74.6 -32.1 89.0 44.1 79.5 115 124 A G T 4 S+ 0 0 8 -23,-0.6 -1,-0.2 -24,-0.4 21,-0.1 0.794 82.5 78.5 -71.8 -29.3 91.7 42.1 81.2 116 125 A K T 4 S+ 0 0 100 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.862 120.7 3.1 -57.7 -42.4 90.8 42.2 84.8 117 126 A N T 4 S+ 0 0 57 -49,-0.4 2,-0.8 -4,-0.4 3,-0.3 0.714 117.9 76.0-110.2 -37.3 88.1 39.6 84.6 118 127 A M < + 0 0 3 -4,-1.3 18,-0.6 -50,-0.4 -1,-0.1 -0.811 64.2 125.3 -85.5 112.5 88.2 38.4 81.0 119 128 A N + 0 0 76 -2,-0.8 -1,-0.2 16,-0.2 15,-0.2 0.507 22.9 124.2-148.7 -42.1 91.3 36.3 81.5 120 129 A R - 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0 0 68 -3,-1.8 -1,-0.3 1,-0.1 5,-0.1 -0.485 57.3-108.1 -63.7 135.2 74.9 28.8 74.9 220 229 A K > - 0 0 117 -2,-0.2 3,-0.6 1,-0.1 4,-0.3 -0.382 37.8-103.5 -56.5 143.2 75.1 32.6 74.5 221 230 A P G > S+ 0 0 37 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.841 122.3 56.6 -44.0 -49.5 77.0 33.5 71.3 222 231 A E G 3 S+ 0 0 13 1,-0.3 -3,-0.0 -30,-0.0 -152,-0.0 0.941 109.5 45.0 -41.6 -59.3 80.1 34.4 73.3 223 232 A D G < S+ 0 0 73 -3,-0.6 -1,-0.3 -7,-0.0 -3,-0.1 0.183 87.9 111.4 -82.6 17.7 80.2 30.9 74.9 224 233 A Q S < S- 0 0 57 -3,-1.8 -7,-0.0 -4,-0.3 -8,-0.0 -0.687 70.1-114.8 -87.4 146.7 79.6 29.0 71.6 225 234 A P - 0 0 38 0, 0.0 -15,-0.6 0, 0.0 2,-0.2 -0.172 28.2-106.2 -76.3 175.2 82.6 27.0 70.3 226 235 A W B -L 209 0F 40 -17,-0.1 -20,-0.1 1,-0.1 2,-0.1 -0.660 32.9-107.7-101.9 154.0 84.4 27.7 67.0 227 236 A S > - 0 0 2 -19,-0.6 3,-1.9 -2,-0.2 4,-0.3 -0.335 43.7 -93.6 -81.5 168.9 84.0 25.5 63.9 228 237 A K G > S+ 0 0 51 1,-0.3 3,-0.6 -19,-0.2 815,-0.1 0.873 120.9 39.3 -58.2 -46.8 86.9 23.3 62.9 229 238 A I G >> S+ 0 0 0 813,-0.7 3,-1.6 1,-0.2 4,-1.3 0.340 84.1 110.5 -87.5 12.9 88.8 25.5 60.5 230 239 A A G <4 S+ 0 0 0 -3,-1.9 -24,-0.5 1,-0.3 -25,-0.3 0.843 88.9 26.1 -58.5 -41.1 88.2 28.7 62.6 231 240 A H G <4 S+ 0 0 2 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 -0.174 116.1 61.1-114.3 37.3 91.8 29.0 63.7 232 241 A L T <4 S+ 0 0 9 -3,-1.6 774,-0.4 1,-0.3 775,-0.2 0.489 104.0 41.5-129.9 -20.5 93.7 27.3 60.9 233 242 A F >< - 0 0 3 -4,-1.3 -28,-1.0 1,-0.1 3,-0.7 -0.930 65.3-160.6-136.3 107.7 92.8 29.4 57.8 234 243 A P T 3 S+ 0 0 8 0, 0.0 -44,-0.4 0, 0.0 -28,-0.2 0.839 77.3 63.1 -48.9 -43.2 92.7 33.2 58.4 235 244 A Y T 3 - 0 0 6 -31,-0.2 -31,-0.2 1,-0.2 6,-0.1 0.418 60.5-179.7 -76.5 -26.1 90.5 34.0 55.4 236 245 A G < - 0 0 2 -3,-0.7 2,-0.4 -7,-0.2 -1,-0.2 -0.224 55.2 -57.8 47.8-136.7 87.0 32.5 55.5 237 246 A F S S+ 0 0 3 -33,-0.2 810,-0.1 2,-0.1 809,-0.1 -0.995 99.7 21.4-139.3 144.1 85.1 33.5 52.3 238 247 A G S S- 0 0 0 -2,-0.4 2,-0.3 808,-0.3 562,-0.2 -0.624 109.8 -4.4 96.1-163.9 84.4 37.0 51.0 239 248 A P S S- 0 0 3 0, 0.0 2,-1.0 0, 0.0 557,-0.2 -0.558 71.9-125.7 -74.7 128.3 86.2 40.3 51.7 240 249 A Y + 0 0 24 555,-1.7 3,-0.2 558,-0.7 557,-0.2 -0.618 37.4 168.7 -85.4 102.6 88.9 39.8 54.4 241 250 A I > + 0 0 1 -2,-1.0 3,-2.3 1,-0.2 4,-0.3 0.555 44.4 102.1 -91.6 -10.8 88.1 42.3 57.1 242 251 A D G > S+ 0 0 0 1,-0.3 3,-2.5 2,-0.2 -1,-0.2 0.882 77.2 57.0 -45.3 -58.1 90.4 41.2 59.9 243 252 A G G > S+ 0 0 6 1,-0.3 3,-2.4 -3,-0.2 549,-1.2 0.763 88.5 78.3 -41.1 -33.9 93.0 43.9 59.3 244 253 A L G < S+ 0 0 2 -3,-2.3 6,-0.3 1,-0.3 -1,-0.3 0.686 91.8 54.7 -49.4 -19.8 90.2 46.5 59.9 245 254 A F G < S+ 0 0 8 -3,-2.5 2,-0.5 -4,-0.3 3,-0.3 0.318 86.6 91.6-107.8 0.6 90.6 45.8 63.6 246 255 A S S < S- 0 0 0 -3,-2.4 546,-0.3 1,-0.2 -73,-0.2 -0.878 106.0 -9.3 -96.9 135.7 94.4 46.4 64.0 247 256 A Q S S+ 0 0 4 -75,-2.2 2,-0.3 -2,-0.5 -1,-0.2 0.844 118.7 100.7 49.5 36.9 95.6 49.9 64.9 248 257 A S S S- 0 0 15 -3,-0.3 3,-0.2 -76,-0.2 -1,-0.2 -0.887 76.8-127.8-138.5 173.4 92.0 51.1 64.3 249 258 A N S S+ 0 0 4 -2,-0.3 283,-0.1 287,-0.2 -4,-0.1 -0.408 70.2 114.4-117.6 48.1 89.0 52.0 66.4 250 259 A M S S- 0 0 8 -6,-0.3 -54,-0.6 1,-0.2 2,-0.3 0.709 78.9 -3.5-100.1 -20.5 86.5 49.8 64.6 251 260 A G E - G 0 195B 12 -3,-0.2 2,-0.6 -56,-0.2 -1,-0.2 -0.988 61.7-109.1-160.0 170.0 85.7 47.3 67.3 252 261 A I E - G 0 194B 1 -58,-2.8 -58,-3.7 -2,-0.3 2,-0.5 -0.957 41.0-138.9-104.5 125.6 86.2 46.1 70.8 253 262 A V E + G 0 193B 19 -2,-0.6 -60,-0.3 -60,-0.3 3,-0.1 -0.724 27.7 172.1 -92.9 123.6 88.0 42.7 70.7 254 263 A T E + 0 0 0 -62,-0.9 2,-0.3 -2,-0.5 -61,-0.2 0.715 64.6 5.3-102.0 -25.8 86.9 39.9 73.0 255 264 A K E - G 0 192B 5 -63,-1.0 -63,-1.6 -121,-0.2 2,-0.3 -0.950 57.0-176.5-150.0 169.0 88.8 36.9 71.8 256 265 A I E -FG 133 191B 0 -123,-1.5 -123,-2.6 -2,-0.3 2,-0.6 -0.941 22.3-129.2-170.2 149.8 91.5 35.8 69.2 257 266 A G E -F 132 0B 0 -67,-0.8 -68,-2.5 -68,-0.4 2,-0.5 -0.929 23.9-170.3-107.0 118.0 93.3 32.8 67.9 258 267 A I E -FG 131 188B 17 -127,-2.1 -127,-1.5 -2,-0.6 -70,-0.2 -0.956 23.1-123.3-112.0 128.3 97.1 32.8 67.7 259 268 A W E -F 130 0B 34 -72,-2.4 2,-0.4 -2,-0.5 -129,-0.3 -0.336 24.4-150.4 -53.6 129.8 99.2 30.2 66.0 260 269 A L - 0 0 9 -131,-2.5 -103,-0.2 -132,-0.1 -1,-0.0 -0.958 12.6-127.6-111.8 136.1 101.8 28.5 68.3 261 270 A M E -J 156 0D 8 -105,-0.9 -105,-3.6 -2,-0.4 2,-0.1 -0.642 25.7-121.3 -83.4 131.8 105.1 27.2 66.8 262 271 A P E -J 155 0D 32 0, 0.0 -107,-0.3 0, 0.0 -1,-0.1 -0.412 41.3 -81.5 -72.2 140.7 106.0 23.6 67.7 263 272 A N - 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0 0 43 -4,-1.2 -1,-0.4 -3,-0.9 6,-0.0 -0.789 45.6-131.0-179.3 140.7 129.6 58.5 84.1 320 329 A S S S+ 0 0 110 -2,-0.2 -4,-0.1 -3,-0.1 2,-0.1 0.193 70.4 132.6 -79.1 16.2 128.3 61.3 86.3 321 330 A R - 0 0 95 -6,-0.2 -2,-0.1 1,-0.1 4,-0.1 -0.387 45.8-161.6 -65.2 143.6 128.1 63.1 82.9 322 331 A T + 0 0 135 2,-0.1 -1,-0.1 -2,-0.1 3,-0.1 0.795 68.2 67.5 -98.6 -35.4 124.8 65.0 82.3 323 332 A E S S- 0 0 119 1,-0.2 120,-0.1 120,-0.1 3,-0.1 -0.406 109.1 -67.8 -75.7 161.4 124.9 65.5 78.5 324 333 A P - 0 0 12 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.190 62.9-101.3 -46.5 138.3 124.7 62.5 76.2 325 334 A L - 0 0 9 -4,-0.1 2,-0.1 -3,-0.1 118,-0.0 -0.420 43.8-115.2 -65.6 143.7 127.8 60.3 76.4 326 335 A S >> - 0 0 32 -2,-0.1 4,-1.6 -3,-0.1 3,-1.1 -0.370 23.9 -98.9 -84.4 159.2 130.3 60.8 73.6 327 336 A D H 3> S+ 0 0 70 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.826 122.5 52.8 -33.9 -55.8 131.4 58.5 70.8 328 337 A E H 3> S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.842 105.8 52.9 -57.7 -38.0 134.6 57.7 72.7 329 338 A E H <> S+ 0 0 17 -3,-1.1 4,-2.9 1,-0.2 -1,-0.2 0.805 107.8 53.9 -68.5 -26.9 132.7 56.7 75.9 330 339 A L H X S+ 0 0 13 -4,-1.6 4,-2.1 -3,-0.4 -2,-0.2 0.851 107.6 47.5 -74.6 -36.0 130.7 54.4 73.6 331 340 A D H X S+ 0 0 73 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.916 115.4 48.7 -64.7 -42.5 133.9 52.8 72.3 332 341 A K H X S+ 0 0 107 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.935 112.1 46.1 -57.0 -55.6 135.0 52.5 76.0 333 342 A I H X S+ 0 0 5 -4,-2.9 4,-2.2 2,-0.2 6,-0.2 0.931 110.1 55.5 -57.4 -50.9 131.7 51.0 77.2 334 343 A A H ><>S+ 0 0 6 -4,-2.1 5,-2.5 2,-0.2 3,-0.7 0.948 112.8 39.9 -41.7 -66.8 131.6 48.5 74.3 335 344 A K H ><5S+ 0 0 153 -4,-2.0 3,-2.7 1,-0.3 -2,-0.2 0.937 110.2 60.7 -57.3 -49.8 135.0 47.1 75.2 336 345 A Q H 3<5S+ 0 0 127 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.835 114.1 36.1 -37.7 -46.9 134.2 47.2 79.0 337 346 A L T <<5S- 0 0 43 -4,-2.2 -1,-0.3 -3,-0.7 -2,-0.2 0.284 114.0-113.6 -97.9 10.6 131.3 44.9 78.4 338 347 A N T < 5S+ 0 0 111 -3,-2.7 -3,-0.2 -4,-0.3 2,-0.2 0.852 77.7 124.7 55.3 42.1 133.0 42.7 75.6 339 348 A L < - 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0 0 61 -2,-0.6 4,-2.1 1,-0.1 5,-0.3 -0.381 6.3-134.8 -59.9 134.2 66.5 43.9 46.5 1098 555 B H H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.888 102.1 54.4 -58.1 -40.7 67.6 40.5 48.0 1099 556 B V H 4 S+ 0 0 137 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.888 111.6 40.3 -64.3 -46.5 64.4 38.8 46.7 1100 557 B T H 4 S+ 0 0 111 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.2 0.910 127.5 33.2 -69.5 -38.3 64.8 39.8 43.1 1101 558 B W H < S+ 0 0 62 -4,-2.1 -2,-0.2 -443,-0.0 -3,-0.2 0.916 87.5 96.8 -92.9 -46.5 68.5 39.2 43.0 1102 559 B K < 0 0 71 -4,-2.4 -5,-0.0 -5,-0.3 -4,-0.0 -0.088 360.0 360.0 -52.2 139.7 69.7 36.4 45.2 1103 560 B L 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -52,-0.1 0.671 360.0 360.0-116.9 360.0 70.3 32.9 43.8