==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-SEP-12 4GYS . COMPND 2 MOLECULE: ALLOPHANATE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GRANULIBACTER BETHESDENSIS; . AUTHOR Y.LIN,M.ST MAURICE . 920 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 613 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 41 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 267 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 1 2 3 1 4 3 0 2 4 3 3 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 11 2 6 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 2 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 3 A L 0 0 69 0, 0.0 2,-0.6 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 129.9 38.5 24.4 154.5 2 4 A S - 0 0 57 5,-0.3 2,-2.0 2,-0.1 9,-0.2 -0.860 360.0-140.0 -91.4 121.0 40.5 24.6 157.7 3 5 A M + 0 0 5 -2,-0.6 2,-0.3 4,-0.2 156,-0.1 -0.466 66.1 101.1 -84.9 67.9 38.8 22.1 160.1 4 6 A T S > S- 0 0 1 -2,-2.0 4,-2.6 1,-0.1 5,-0.2 -0.851 88.8-100.2-136.4 170.2 39.2 24.3 163.2 5 7 A L H > S+ 0 0 14 -2,-0.3 4,-2.4 155,-0.3 5,-0.2 0.934 127.3 41.4 -60.5 -45.5 36.7 26.5 165.1 6 8 A E H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.931 112.8 53.6 -68.6 -44.0 38.2 29.5 163.4 7 9 A G H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 -5,-0.3 0.898 113.3 44.0 -56.5 -42.1 38.5 27.8 160.0 8 10 A I H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.931 111.4 50.7 -72.5 -47.3 34.8 26.8 160.1 9 11 A Q H < S+ 0 0 151 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.879 113.6 48.8 -54.5 -37.4 33.5 30.2 161.3 10 12 A A H < S+ 0 0 57 -4,-2.4 -2,-0.2 2,-0.2 6,-0.2 0.917 109.8 49.7 -70.3 -45.9 35.5 31.8 158.4 11 13 A F H < 0 0 64 -4,-2.1 5,-2.4 -5,-0.2 -2,-0.2 0.878 360.0 360.0 -61.1 -40.0 34.3 29.4 155.8 12 14 A L < 0 0 43 -4,-2.4 3,-1.4 3,-0.2 -2,-0.2 0.933 360.0 360.0 -68.8 360.0 30.7 30.0 156.9 13 ! 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 14 16 A Q 0 0 141 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 24.3 32.5 33.8 153.3 15 17 A G + 0 0 67 -3,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.416 360.0 138.4 94.2 -2.0 29.2 32.1 152.1 16 18 A G - 0 0 16 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.272 43.0-132.6 -69.8 163.5 30.0 28.5 152.9 17 19 A T > - 0 0 46 1,-0.1 4,-1.9 49,-0.0 5,-0.1 -0.837 17.0-123.4-116.8 156.4 27.3 26.2 154.4 18 20 A I H > S+ 0 0 0 -2,-0.3 4,-2.9 33,-0.2 5,-0.3 0.906 115.3 60.3 -60.5 -39.0 27.3 23.7 157.3 19 21 A E H > S+ 0 0 65 32,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 105.4 46.8 -54.1 -43.3 26.2 21.1 154.7 20 22 A Q H > S+ 0 0 100 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.881 109.4 54.6 -67.0 -37.6 29.4 21.7 152.8 21 23 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.950 111.5 44.2 -59.2 -50.0 31.4 21.5 156.0 22 24 A V H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.906 111.3 54.2 -61.0 -44.4 29.9 18.1 156.7 23 25 A T H X S+ 0 0 46 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.955 110.7 45.9 -56.1 -51.0 30.4 17.0 153.1 24 26 A E H X S+ 0 0 52 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.888 111.3 52.4 -58.4 -43.1 34.1 17.9 153.3 25 27 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.964 111.6 46.4 -60.2 -49.9 34.4 16.1 156.7 26 28 A Y H X S+ 0 0 12 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.894 109.3 54.7 -58.1 -39.8 32.9 12.9 155.2 27 29 A D H X S+ 0 0 53 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.910 111.7 45.0 -58.9 -43.5 35.1 13.2 152.1 28 30 A R H X S+ 0 0 48 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.905 111.8 51.6 -66.4 -41.2 38.1 13.3 154.4 29 31 A I H < S+ 0 0 20 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.907 109.2 51.1 -61.8 -39.7 36.8 10.5 156.5 30 32 A T H < S+ 0 0 104 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.854 116.9 39.5 -67.3 -33.6 36.3 8.3 153.4 31 33 A R H < S+ 0 0 162 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.649 87.1 98.4 -87.4 -20.4 39.8 9.0 152.2 32 34 A Y < - 0 0 58 -4,-1.6 -1,-0.1 -3,-0.2 -2,-0.1 0.828 66.6-151.7 -52.5 -48.7 41.7 8.8 155.5 33 35 A G + 0 0 70 -4,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.583 56.2 113.8 93.9 4.0 43.0 5.2 155.3 34 36 A D > - 0 0 27 1,-0.1 3,-1.3 100,-0.0 4,-0.3 -0.952 47.4-164.7-103.7 109.7 43.3 4.2 159.0 35 37 A K T 3 S+ 0 0 154 -2,-0.6 3,-0.2 1,-0.3 -1,-0.1 0.628 80.5 60.4 -73.2 -9.2 40.7 1.4 159.4 36 38 A A T 3 S+ 0 0 2 96,-0.2 -1,-0.3 1,-0.2 79,-0.2 0.362 76.0 91.6-100.7 4.9 40.8 1.6 163.2 37 39 A V S < S+ 0 0 1 -3,-1.3 78,-2.3 95,-0.1 2,-0.4 0.912 84.5 41.2 -71.5 -40.7 39.7 5.2 163.8 38 40 A W E -A 114 0A 34 -4,-0.3 76,-0.3 76,-0.3 3,-0.1 -0.835 44.4-176.8-114.5 144.1 36.0 4.9 164.1 39 41 A I E S+ 0 0 36 74,-3.1 2,-0.4 -2,-0.4 75,-0.2 0.806 86.1 12.1 -95.0 -48.6 33.8 2.4 165.8 40 42 A A E -A 113 0A 17 73,-1.7 73,-3.2 41,-0.1 2,-0.4 -0.928 67.5-169.8-138.2 114.4 30.4 3.9 164.7 41 43 A L E -A 112 0A 74 -2,-0.4 71,-0.3 71,-0.3 3,-0.1 -0.818 24.5-122.5-100.0 135.6 30.0 6.5 162.0 42 44 A R - 0 0 33 69,-2.6 2,-0.4 -2,-0.4 38,-0.1 -0.321 40.8 -93.9 -61.5 153.1 26.7 8.3 161.4 43 45 A P >> - 0 0 74 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.629 30.2-129.7 -70.1 132.1 25.3 7.9 157.9 44 46 A R H 3> S+ 0 0 82 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.890 106.3 59.0 -44.8 -47.2 26.4 10.9 155.8 45 47 A E H 3> S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.855 105.8 46.3 -58.1 -40.6 22.8 11.5 154.7 46 48 A E H <> S+ 0 0 81 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.871 112.3 49.9 -71.3 -35.5 21.5 12.0 158.3 47 49 A V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.908 108.7 54.3 -68.7 -37.1 24.3 14.3 159.3 48 50 A L H X S+ 0 0 24 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.918 106.8 50.9 -62.0 -43.1 23.6 16.3 156.1 49 51 A A H X S+ 0 0 45 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.909 111.6 46.8 -60.8 -42.5 20.0 16.7 157.2 50 52 A E H X S+ 0 0 41 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.908 111.2 53.5 -65.5 -40.7 21.0 17.9 160.6 51 53 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -32,-0.2 0.914 109.1 48.0 -57.2 -46.6 23.5 20.2 158.9 52 54 A R H X S+ 0 0 108 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.914 109.3 52.4 -63.3 -43.6 20.7 21.7 156.7 53 55 A A H < S+ 0 0 66 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.900 112.7 45.6 -60.3 -40.4 18.4 22.2 159.7 54 56 A L H >< S+ 0 0 23 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.900 106.0 59.4 -68.7 -42.3 21.1 24.1 161.5 55 57 A D H 3< S+ 0 0 49 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.879 105.6 50.0 -52.0 -40.9 22.0 26.1 158.4 56 58 A A T 3< S+ 0 0 92 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.572 101.1 84.1 -77.4 -10.7 18.4 27.4 158.5 57 59 A S S < S- 0 0 48 -3,-1.6 2,-0.1 -4,-0.3 -3,-0.0 -0.573 91.9 -99.5 -85.4 155.4 18.8 28.3 162.2 58 60 A P - 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.445 19.6-137.6 -65.0 147.9 20.4 31.5 163.4 59 61 A A > + 0 0 52 -2,-0.1 3,-2.1 -4,-0.1 6,-0.2 0.587 68.7 119.8 -80.4 -11.7 24.0 31.3 164.5 60 62 A T T 3 S+ 0 0 122 1,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.269 80.4 9.6 -58.5 135.5 23.1 33.4 167.5 61 63 A G T 3 S+ 0 0 68 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.524 103.8 103.9 72.1 5.4 23.8 31.7 170.8 62 64 A K X + 0 0 55 -3,-2.1 3,-2.1 1,-0.1 44,-0.1 -0.736 41.7 176.4-119.8 83.5 25.7 28.9 169.1 63 65 A P T 3 S+ 0 0 72 0, 0.0 44,-0.1 0, 0.0 -1,-0.1 0.631 87.1 44.2 -61.6 -15.3 29.4 29.4 169.7 64 66 A L T > S+ 0 0 1 42,-2.9 3,-2.5 39,-0.2 45,-0.1 -0.096 84.5 176.0-116.8 31.3 30.1 26.1 167.9 65 67 A Y T < S- 0 0 42 -3,-2.1 43,-0.2 1,-0.3 42,-0.2 -0.130 71.3 -13.2 -43.0 109.5 27.7 26.8 165.1 66 68 A G T 3 S+ 0 0 0 41,-1.7 -1,-0.3 1,-0.2 42,-0.2 0.638 91.0 153.7 73.3 18.0 28.1 23.9 162.6 67 69 A V < - 0 0 4 -3,-2.5 42,-3.3 40,-0.3 2,-0.3 -0.688 36.5-139.2 -88.6 120.1 31.3 22.4 164.0 68 70 A P E +b 109 0A 0 0, 0.0 92,-2.1 0, 0.0 93,-0.8 -0.566 28.0 173.5 -73.3 137.5 31.9 18.7 163.5 69 71 A F E -bc 110 161A 0 40,-2.6 42,-2.4 -2,-0.3 43,-0.6 -0.955 26.3-131.4-140.9 160.4 33.3 16.6 166.3 70 72 A A E -bc 112 162A 0 91,-1.4 93,-2.2 -2,-0.3 2,-0.5 -0.880 17.1-151.1-106.5 145.5 34.1 13.0 167.2 71 73 A V E -bc 113 163A 0 41,-2.1 43,-1.6 -2,-0.4 93,-0.1 -0.967 22.0-116.4-121.9 121.5 33.1 11.4 170.5 72 74 A K E > -b 114 0A 0 91,-2.0 3,-1.9 -2,-0.5 43,-0.2 -0.193 32.9-113.9 -46.0 140.4 35.1 8.6 172.2 73 75 A D T 3 S+ 0 0 1 41,-2.2 11,-3.1 1,-0.3 10,-0.9 0.132 111.0 66.7 -80.1 24.0 33.0 5.5 172.4 74 76 A N T 3 S+ 0 0 3 10,-0.2 122,-2.7 9,-0.2 2,-0.5 0.151 89.9 81.4-110.4 9.3 32.8 5.4 176.2 75 77 A I B < S-K 195 0B 0 -3,-1.9 120,-0.2 120,-0.2 2,-0.1 -0.967 86.9-116.1-117.8 127.1 30.7 8.6 176.0 76 78 A D + 0 0 21 118,-3.3 21,-2.4 -2,-0.5 2,-0.4 -0.352 31.9 175.6 -66.7 132.0 27.0 8.5 175.3 77 79 A V > - 0 0 5 3,-0.4 3,-1.7 19,-0.2 19,-0.2 -0.978 33.7-120.7-130.7 122.0 25.6 10.1 172.1 78 80 A A T 3 S+ 0 0 41 -2,-0.4 16,-0.1 1,-0.3 18,-0.1 -0.359 97.1 29.1 -61.9 134.9 21.9 9.6 171.4 79 81 A G T 3 S+ 0 0 68 14,-0.8 -1,-0.3 1,-0.3 15,-0.1 0.389 110.5 77.4 95.6 -1.4 21.2 7.8 168.2 80 82 A L S < S- 0 0 11 -3,-1.7 -3,-0.4 13,-0.2 -1,-0.3 -0.973 82.6-109.5-131.1 154.3 24.4 5.9 168.2 81 83 A P - 0 0 40 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.293 24.8-149.7 -71.5 165.2 25.5 2.8 170.1 82 84 A C B +L 91 0C 0 9,-2.6 9,-2.4 1,-0.1 -8,-0.1 -0.984 27.9 155.7-140.7 130.9 28.1 3.0 172.9 83 85 A S > - 0 0 4 -10,-0.9 3,-1.9 -2,-0.4 6,-0.3 0.506 48.8-128.0-134.0 -12.3 30.4 0.1 173.7 84 86 A A T 3 S- 0 0 0 -11,-3.1 35,-2.4 1,-0.3 36,-0.3 0.792 79.8 -64.5 49.8 32.4 33.6 1.3 175.4 85 87 A A T 3 S+ 0 0 0 -12,-0.4 -1,-0.3 33,-0.2 33,-0.2 0.724 117.9 113.0 63.9 24.1 35.2 -0.8 172.6 86 88 A C X> - 0 0 0 -3,-1.9 3,-1.7 1,-0.1 4,-0.8 -0.934 55.1-158.7-123.4 104.2 33.7 -4.0 174.0 87 89 A P G >4 S+ 0 0 75 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.897 92.8 53.9 -54.0 -41.5 31.1 -5.5 171.7 88 90 A A G 34 S+ 0 0 60 231,-0.3 232,-0.1 1,-0.3 231,-0.0 0.715 106.7 53.8 -63.5 -20.8 29.4 -7.5 174.5 89 91 A F G <4 S+ 0 0 28 -3,-1.7 -1,-0.3 -6,-0.3 -7,-0.1 0.603 81.7 133.4 -83.1 -14.7 29.1 -4.2 176.6 90 92 A T << + 0 0 64 -3,-1.5 2,-0.3 -4,-0.8 -7,-0.2 -0.050 25.7 165.4 -50.8 132.0 27.3 -2.4 173.7 91 93 A Y B -L 82 0C 77 -9,-2.4 -9,-2.6 -11,-0.0 -2,-0.0 -0.895 37.5-121.5-136.1 170.3 24.1 -0.5 174.6 92 94 A E - 0 0 127 -2,-0.3 -14,-0.1 -11,-0.2 -16,-0.0 -0.844 29.9-144.8-112.9 92.5 22.0 2.2 172.9 93 95 A P - 0 0 13 0, 0.0 -14,-0.8 0, 0.0 -13,-0.2 -0.307 5.7-153.2 -63.9 140.1 21.9 5.3 175.0 94 96 A D S S+ 0 0 157 -16,-0.1 2,-0.3 1,-0.1 -16,-0.1 0.673 77.6 38.3 -77.8 -21.8 18.5 7.2 175.0 95 97 A R S S- 0 0 203 -18,-0.1 2,-0.1 -17,-0.0 -1,-0.1 -0.958 85.8-105.7-134.3 148.9 20.2 10.5 175.8 96 98 A D - 0 0 31 -2,-0.3 -19,-0.2 -19,-0.2 -20,-0.1 -0.425 48.4-101.3 -61.0 141.6 23.4 12.5 175.0 97 99 A A > - 0 0 1 -21,-2.4 4,-2.9 97,-0.2 97,-0.2 -0.362 42.0-103.6 -52.8 151.4 25.9 12.5 177.9 98 100 A T H > S+ 0 0 30 95,-1.4 4,-2.5 1,-0.2 5,-0.2 0.909 122.5 48.8 -49.2 -50.6 25.6 15.9 179.6 99 101 A V H > S+ 0 0 0 92,-0.4 4,-2.2 94,-0.4 -1,-0.2 0.892 112.6 48.6 -62.5 -38.0 28.8 17.3 178.0 100 102 A V H > S+ 0 0 0 -3,-0.2 4,-2.7 -24,-0.2 5,-0.3 0.915 109.2 53.2 -62.6 -45.2 27.6 16.1 174.6 101 103 A A H X S+ 0 0 44 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.923 110.9 47.3 -55.9 -46.6 24.2 17.7 175.2 102 104 A R H X S+ 0 0 109 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.914 113.0 47.1 -64.2 -45.3 25.9 21.0 176.0 103 105 A L H <>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 3,-0.4 0.914 112.7 48.6 -62.2 -44.8 28.2 21.0 173.0 104 106 A R H ><5S+ 0 0 91 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.876 107.7 55.8 -65.4 -34.8 25.4 20.1 170.5 105 107 A A H 3<5S+ 0 0 76 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.784 101.4 58.0 -67.9 -25.1 23.3 22.9 172.0 106 108 A A T 3<5S- 0 0 9 -4,-1.1 -42,-2.9 -3,-0.4 -1,-0.3 0.347 132.1 -97.6 -82.0 2.8 26.2 25.2 171.2 107 109 A G T < 5S+ 0 0 2 -3,-1.8 -41,-1.7 1,-0.3 -40,-0.3 0.465 76.8 142.0 99.9 1.8 25.7 24.1 167.7 108 110 A A < - 0 0 1 -5,-2.2 2,-0.5 -42,-0.2 -1,-0.3 -0.427 40.0-140.1 -77.0 155.1 28.4 21.4 167.3 109 111 A I E - b 0 68A 0 -42,-3.3 -40,-2.6 -45,-0.1 2,-0.4 -0.954 5.5-134.9-124.0 127.3 27.6 18.2 165.3 110 112 A V E - b 0 69A 1 -2,-0.5 -40,-0.2 -42,-0.2 3,-0.1 -0.636 18.1-177.9 -80.6 130.3 28.6 14.7 166.2 111 113 A L E - 0 0 0 -42,-2.4 -69,-2.6 -2,-0.4 2,-0.3 0.800 57.9 -54.1 -93.5 -35.7 30.0 12.7 163.2 112 114 A G E -Ab 41 70A 0 -43,-0.6 -41,-2.1 -71,-0.3 2,-0.5 -0.981 57.9 -70.3 176.4 179.1 30.5 9.3 165.0 113 115 A K E -Ab 40 71A 0 -73,-3.2 -74,-3.1 -2,-0.3 -73,-1.7 -0.836 45.2-140.6 -97.8 126.6 32.1 7.3 167.9 114 116 A T E -Ab 38 72A 0 -43,-1.6 -41,-2.2 -2,-0.5 -76,-0.3 -0.557 20.7-102.4 -88.5 150.7 35.8 6.9 167.9 115 117 A N + 0 0 0 -78,-2.3 34,-1.6 -79,-0.2 35,-0.6 -0.168 42.8 176.1 -59.7 155.5 37.8 3.8 168.8 116 118 A L - 0 0 0 32,-0.2 2,-0.2 31,-0.1 31,-0.2 -0.966 43.3 -79.7-152.4 159.8 39.5 3.6 172.2 117 119 A D S > S- 0 0 0 29,-1.5 3,-2.0 -2,-0.3 11,-0.2 -0.536 75.6 -84.9 -57.2 135.2 41.5 1.2 174.4 118 120 A Q G > S- 0 0 2 9,-2.8 3,-1.9 1,-0.3 -33,-0.2 -0.147 108.5 -3.1 -56.0 135.7 38.8 -1.0 175.8 119 121 A F G 3 S- 0 0 10 -35,-2.4 -1,-0.3 1,-0.3 -34,-0.1 0.788 120.7 -77.9 50.4 31.4 37.1 0.3 179.0 120 122 A A G < S+ 0 0 6 -3,-2.0 2,-0.8 -36,-0.3 -1,-0.3 0.821 94.6 141.4 52.1 35.2 39.6 3.2 178.7 121 123 A T < + 0 0 1 -3,-1.9 2,-0.2 6,-0.2 -1,-0.2 -0.815 45.6 40.9-113.2 89.8 42.3 1.0 180.2 122 124 A G - 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0 0 78 0, 0.0 -45,-0.1 0, 0.0 0, 0.0 -0.440 48.4 -92.4 -66.1 143.6 31.0 23.5 191.0 235 237 A S + 0 0 71 -46,-0.1 2,-0.3 -2,-0.1 -10,-0.0 -0.320 48.6 172.4 -54.7 132.0 33.5 25.7 189.1 236 238 A Q - 0 0 125 -3,-0.1 2,-0.4 2,-0.0 -3,-0.0 -0.898 20.8-142.6-125.1 164.3 36.0 27.5 191.1 237 239 A K - 0 0 111 -2,-0.3 2,-0.5 189,-0.1 189,-0.2 -0.984 11.0-169.7-130.9 121.7 38.9 29.5 189.6 238 240 A R - 0 0 144 187,-3.2 191,-0.4 -2,-0.4 2,-0.2 -0.948 21.0-138.0-108.2 126.9 42.4 29.6 191.2 239 241 A R - 0 0 99 -2,-0.5 187,-0.1 189,-0.1 188,-0.1 -0.566 12.2-160.0 -88.6 147.3 44.7 32.1 189.6 240 242 A L - 0 0 8 -2,-0.2 5,-0.1 186,-0.1 2,-0.0 -0.910 27.6-106.8-116.7 152.0 48.3 31.6 188.8 241 243 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.339 23.6-172.4 -70.6 155.8 50.8 34.4 188.3 242 244 A H S > S+ 0 0 48 1,-0.3 3,-0.8 3,-0.1 2,-0.5 0.652 79.6 55.9-116.0 -40.8 52.1 35.3 184.8 243 245 A V T 3 S+ 0 0 80 1,-0.2 -1,-0.3 36,-0.0 36,-0.1 -0.811 120.6 20.3 -80.4 126.2 54.8 37.8 185.9 244 246 A G T 3 S+ 0 0 57 -2,-0.5 -1,-0.2 1,-0.2 35,-0.1 0.538 89.5 172.7 93.4 8.4 57.0 36.0 188.3 245 247 A L E < -g 279 0A 11 -3,-0.8 35,-3.4 33,-0.5 2,-0.5 -0.208 19.6-155.6 -59.3 129.5 55.9 32.6 187.1 246 248 A R E -g 280 0A 70 33,-0.2 115,-2.4 -5,-0.1 116,-1.4 -0.942 4.6-163.9-110.6 125.3 57.9 29.6 188.5 247 249 A V E -gh 281 362A 2 33,-3.4 35,-2.6 -2,-0.5 2,-0.2 -0.936 11.3-146.8-109.4 111.8 57.9 26.5 186.4 248 250 A G E -gh 282 363A 0 114,-3.0 116,-2.8 -2,-0.6 35,-0.2 -0.541 17.7-179.2 -76.6 141.9 59.0 23.3 188.2 249 251 A V E -g 283 0A 2 33,-2.3 35,-2.9 -2,-0.2 116,-0.1 -0.984 34.0 -97.3-133.3 149.9 60.9 20.6 186.4 250 252 A P E -g 284 0A 1 0, 0.0 35,-0.2 0, 0.0 5,-0.1 -0.183 50.3 -88.0 -59.8 158.9 62.1 17.3 187.8 251 253 A R > - 0 0 96 33,-0.8 3,-2.5 1,-0.1 4,-0.3 -0.278 42.8-105.5 -58.8 153.7 65.8 17.0 188.9 252 254 A Q G > S+ 0 0 89 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.910 123.4 52.7 -48.3 -46.7 68.2 16.0 186.2 253 255 A D G 3 S+ 0 0 118 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.436 104.5 57.1 -74.3 1.3 68.3 12.4 187.7 254 256 A Q G < S+ 0 0 12 -3,-2.5 2,-1.3 1,-0.1 -1,-0.3 0.335 74.8 106.7-111.7 4.4 64.6 12.2 187.6 255 257 A R < - 0 0 47 -3,-1.8 2,-0.4 -4,-0.3 -1,-0.1 -0.676 54.8-174.3 -87.3 87.1 64.2 12.8 183.8 256 258 A E + 0 0 75 -2,-1.3 -2,-0.0 1,-0.1 -3,-0.0 -0.684 25.6 159.4 -94.1 132.6 63.4 9.3 182.7 257 259 A F > - 0 0 14 -2,-0.4 3,-2.1 6,-0.0 6,-0.1 0.289 49.5-124.7-133.2 6.4 63.1 8.4 179.0 258 260 A Y T 3 S- 0 0 91 1,-0.3 3,-0.1 112,-0.1 -2,-0.1 0.902 80.9 -45.0 48.0 46.3 63.5 4.6 179.1 259 261 A G T 3 S+ 0 0 70 1,-0.2 2,-1.5 2,-0.0 -1,-0.3 0.373 102.2 131.9 85.8 -5.3 66.4 4.9 176.6 260 262 A N <> + 0 0 31 -3,-2.1 4,-2.1 109,-0.2 -1,-0.2 -0.630 26.1 173.3 -86.2 93.8 64.7 7.3 174.2 261 263 A T H > S+ 0 0 116 -2,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.782 74.0 59.4 -78.2 -24.2 67.6 9.7 173.8 262 264 A A H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 107.9 46.0 -66.8 -43.5 65.8 11.7 171.1 263 265 A Y H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.952 111.7 52.2 -63.2 -43.7 62.9 12.4 173.5 264 266 A A H X S+ 0 0 34 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.924 109.8 49.6 -56.2 -44.1 65.4 13.3 176.3 265 267 A A H X S+ 0 0 58 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.897 110.8 49.2 -63.6 -40.1 67.2 15.7 173.9 266 268 A L H X S+ 0 0 32 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.833 107.3 54.1 -73.7 -31.5 63.9 17.4 173.0 267 269 A Y H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.976 111.3 45.8 -60.6 -52.0 62.8 17.8 176.6 268 270 A Q H X S+ 0 0 83 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.890 109.4 56.5 -56.4 -40.6 66.0 19.6 177.3 269 271 A R H X S+ 0 0 113 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.917 103.1 53.6 -58.7 -46.7 65.5 21.7 174.1 270 272 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.930 109.9 47.9 -52.4 -46.1 62.2 22.8 175.4 271 273 A L H X S+ 0 0 8 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.909 109.1 55.4 -62.9 -39.5 63.9 24.0 178.6 272 274 A D H >< S+ 0 0 65 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.855 109.5 45.2 -59.9 -38.4 66.5 25.7 176.4 273 275 A E H >< S+ 0 0 44 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.770 99.3 72.2 -77.5 -26.7 63.9 27.7 174.5 274 276 A M H >< S+ 0 0 10 -4,-1.6 3,-2.3 1,-0.3 5,-0.3 0.664 72.2 82.9 -68.6 -15.3 62.1 28.7 177.6 275 277 A I T << S+ 0 0 142 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.1 0.767 90.0 55.9 -60.0 -20.3 64.7 31.1 178.8 276 278 A S T < S+ 0 0 75 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.3 0.343 92.4 84.4-100.1 12.6 63.1 33.6 176.5 277 279 A L S < S- 0 0 45 -3,-2.3 2,-2.1 2,-0.2 160,-0.0 -0.762 96.4-105.9 -95.4 158.3 59.7 33.3 178.1 278 280 A D S S+ 0 0 122 -2,-0.3 -33,-0.5 2,-0.0 2,-0.3 -0.461 85.4 101.2 -82.6 67.9 58.9 35.3 181.1 279 281 A A E -g 245 0A 28 -2,-2.1 2,-0.5 -5,-0.3 -33,-0.2 -0.997 64.4-130.9-151.5 146.5 59.2 32.4 183.5 280 282 A E E -g 246 0A 116 -35,-3.4 -33,-3.4 -2,-0.3 2,-0.4 -0.890 20.0-136.4-103.7 133.1 61.7 31.0 186.0 281 283 A L E -g 247 0A 64 -2,-0.5 2,-0.4 -35,-0.2 -33,-0.2 -0.736 21.3-172.3 -83.9 134.0 62.7 27.3 185.9 282 284 A V E -g 248 0A 21 -35,-2.6 -33,-2.3 -2,-0.4 2,-0.3 -0.988 20.8-134.3-127.5 120.1 62.9 25.6 189.3 283 285 A E E -g 249 0A 106 -2,-0.4 2,-0.3 -35,-0.2 -32,-0.1 -0.590 33.2-175.5 -68.0 128.7 64.2 22.1 189.8 284 286 A I E -g 250 0A 1 -35,-2.9 2,-0.9 -2,-0.3 -33,-0.8 -0.825 35.7 -98.7-124.0 164.5 61.9 20.2 192.1 285 287 A D - 0 0 48 -2,-0.3 4,-0.3 -35,-0.2 71,-0.1 -0.761 34.8-174.0 -84.1 109.6 61.8 16.8 193.7 286 288 A F >> + 0 0 1 -2,-0.9 4,-2.7 1,-0.2 3,-0.7 0.589 56.5 99.4 -81.9 -8.3 59.6 14.8 191.4 287 289 A A H 3> S+ 0 0 16 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.812 78.8 49.6 -52.0 -44.7 59.6 11.7 193.6 288 290 A P H 3> S+ 0 0 2 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.882 114.1 46.3 -70.7 -29.8 56.3 12.2 195.4 289 291 A F H <> S+ 0 0 0 -3,-0.7 4,-2.2 -4,-0.3 -2,-0.2 0.924 113.9 49.3 -69.2 -43.9 54.5 12.8 192.1 290 292 A R H X S+ 0 0 69 -4,-2.7 4,-1.3 1,-0.2 -3,-0.2 0.922 113.2 45.8 -58.2 -46.3 56.3 9.7 190.6 291 293 A D H X S+ 0 0 46 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.820 110.5 52.8 -73.5 -29.7 55.3 7.5 193.6 292 294 A A H >< S+ 0 0 0 -4,-1.6 3,-1.3 -5,-0.3 4,-0.5 0.908 103.8 58.7 -68.5 -39.2 51.7 8.7 193.6 293 295 A A H >< S+ 0 0 4 -4,-2.2 3,-1.4 1,-0.3 4,-0.5 0.881 98.7 59.3 -55.2 -38.8 51.6 7.8 189.9 294 296 A K H 3X S+ 0 0 123 -4,-1.3 4,-2.1 1,-0.3 -1,-0.3 0.715 92.0 68.3 -64.8 -22.4 52.4 4.2 190.7 295 297 A L H < S- 0 0 12 -4,-0.9 3,-0.8 -5,-0.2 4,-0.1 -0.369 110.8 -72.8-120.0-162.3 48.0 0.3 194.0 300 302 A P G > S+ 0 0 8 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.546 102.3 91.3 -82.1 -4.8 44.3 -0.4 194.7 301 303 A W G > S+ 0 0 10 -6,-1.0 3,-2.2 1,-0.3 4,-0.5 0.773 72.7 73.4 -61.9 -22.3 42.7 2.2 192.3 302 304 A V G X> S+ 0 0 11 -3,-0.8 3,-1.4 -6,-0.4 4,-1.1 0.802 83.1 71.7 -59.6 -24.3 42.6 -0.5 189.6 303 305 A A H <> S+ 0 0 0 -3,-2.1 4,-2.0 1,-0.3 -1,-0.3 0.770 83.0 68.5 -63.1 -24.6 39.8 -1.9 191.6 304 306 A E H <> S+ 0 0 0 -3,-2.2 4,-1.6 -4,-0.3 -104,-0.3 0.869 98.6 50.6 -60.6 -33.1 37.6 1.0 190.5 305 307 A R H <> S+ 0 0 5 -3,-1.4 4,-1.7 -4,-0.5 -1,-0.2 0.856 106.4 53.8 -73.8 -36.3 37.7 -0.6 187.0 306 308 A L H X S+ 0 0 16 -4,-1.1 4,-1.1 1,-0.2 -1,-0.2 0.875 106.9 52.9 -63.7 -35.2 36.7 -3.9 188.4 307 309 A E H < S+ 0 0 40 -4,-2.0 4,-0.3 1,-0.2 3,-0.2 0.912 108.7 50.8 -65.8 -39.6 33.7 -2.1 190.0 308 310 A A H < S+ 0 0 21 -4,-1.6 -1,-0.2 -110,-0.4 -2,-0.2 0.820 126.9 19.1 -70.1 -34.7 32.8 -0.6 186.6 309 311 A V H X S+ 0 0 5 -4,-1.7 4,-2.6 -111,-0.1 -1,-0.2 0.236 85.9 118.3-124.7 15.0 32.7 -3.8 184.5 310 312 A G H X S+ 0 0 19 -4,-1.1 4,-2.1 -3,-0.2 5,-0.2 0.823 75.0 51.3 -52.8 -40.8 32.5 -6.5 187.1 311 313 A D H > S+ 0 0 109 -4,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.964 113.2 43.5 -64.9 -52.1 29.1 -7.9 185.9 312 314 A H H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.902 113.9 53.5 -59.5 -38.3 30.2 -8.3 182.3 313 315 A L H < S+ 0 0 4 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.881 111.9 42.3 -66.3 -39.8 33.6 -9.7 183.5 314 316 A S H < S+ 0 0 94 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.923 114.2 53.0 -75.3 -41.5 32.0 -12.4 185.7 315 317 A R H < S- 0 0 160 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.897 137.0 -10.9 -52.0 -47.9 29.4 -13.1 182.9 316 318 A A >< - 0 0 32 -4,-2.6 3,-2.2 -5,-0.2 -1,-0.2 -0.498 55.6-179.3-161.6 84.4 32.0 -13.7 180.2 317 319 A P G > S+ 0 0 47 0, 0.0 3,-1.9 0, 0.0 -3,-0.1 0.802 84.1 67.7 -62.3 -23.6 35.6 -12.7 180.8 318 320 A D G 3 S+ 0 0 144 1,-0.3 -5,-0.1 -5,-0.1 7,-0.0 0.657 84.6 73.2 -69.5 -11.4 36.5 -13.9 177.2 319 321 A S G < S+ 0 0 29 -3,-2.2 -231,-0.3 -7,-0.2 -1,-0.3 0.630 88.4 85.3 -74.6 -6.9 34.4 -11.0 176.0 320 322 A F S < S- 0 0 9 -3,-1.9 -234,-0.1 -4,-0.2 0, 0.0 -0.650 94.2 -97.3 -98.4 146.8 37.3 -8.7 177.1 321 323 A D > - 0 0 26 -2,-0.3 4,-3.3 -194,-0.2 5,-0.2 -0.370 43.3-122.2 -49.3 135.2 40.5 -7.6 175.5 322 324 A P H > S+ 0 0 96 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.775 107.5 45.6 -61.8 -33.8 43.0 -10.1 176.9 323 325 A V H > S+ 0 0 23 2,-0.2 4,-1.9 3,-0.1 5,-0.1 0.921 115.9 44.6 -76.2 -45.8 45.3 -7.4 178.4 324 326 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.934 112.0 56.0 -60.7 -45.3 42.5 -5.4 180.0 325 327 A R H X S+ 0 0 42 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.924 107.8 45.8 -52.5 -51.2 41.0 -8.6 181.2 326 328 A S H X S+ 0 0 50 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.872 112.0 52.4 -66.8 -33.2 44.1 -9.8 183.1 327 329 A I H X S+ 0 0 29 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.952 115.1 40.1 -65.0 -46.4 44.6 -6.3 184.6 328 330 A V H < S+ 0 0 2 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.828 111.4 57.3 -73.9 -31.6 41.0 -6.1 185.9 329 331 A E H >< S+ 0 0 70 -4,-2.6 3,-1.3 -5,-0.3 -1,-0.2 0.880 103.3 55.1 -65.1 -37.0 41.0 -9.8 187.0 330 332 A T H >< S+ 0 0 96 -4,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.855 94.3 66.8 -66.5 -32.2 44.0 -9.2 189.2 331 333 A A G >< S+ 0 0 3 -4,-1.0 3,-2.0 1,-0.3 -1,-0.3 0.713 81.8 81.5 -57.9 -19.4 42.2 -6.4 191.0 332 334 A K G < S+ 0 0 108 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.728 83.6 59.6 -61.1 -23.4 39.9 -9.1 192.4 333 335 A T G < S+ 0 0 113 -3,-1.8 2,-0.4 -4,-0.2 -1,-0.3 0.412 81.2 106.5 -86.6 -0.6 42.5 -9.9 195.0 334 336 A L < - 0 0 37 -3,-2.0 463,-2.5 -4,-0.1 464,-0.5 -0.690 56.1-154.6 -84.7 131.5 42.5 -6.4 196.6 335 337 A S B > -P 796 0G 34 -2,-0.4 4,-2.0 461,-0.3 461,-0.3 -0.466 32.8-105.7 -92.0 169.9 40.7 -6.0 199.9 336 338 A A H > S+ 0 0 0 459,-2.3 4,-2.5 456,-0.2 5,-0.2 0.842 124.4 59.1 -60.0 -32.2 39.1 -2.9 201.5 337 339 A V H > S+ 0 0 15 458,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.937 104.1 48.2 -61.9 -46.8 42.2 -2.9 203.7 338 340 A D H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.895 110.3 53.6 -57.6 -42.0 44.5 -2.6 200.6 339 341 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.933 110.3 45.5 -61.9 -45.2 42.2 0.2 199.4 340 342 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.916 110.0 53.8 -66.5 -41.2 42.6 2.1 202.7 341 343 A R H X S+ 0 0 118 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.877 107.3 52.6 -57.1 -41.1 46.4 1.6 202.8 342 344 A G H X S+ 0 0 5 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.926 109.6 48.6 -60.3 -44.4 46.6 3.0 199.3 343 345 A Q H X S+ 0 0 30 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.877 110.0 51.4 -63.5 -35.6 44.7 6.1 200.5 344 346 A Y H X S+ 0 0 20 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.941 111.8 47.2 -64.9 -47.1 47.0 6.4 203.5 345 347 A E H X S+ 0 0 56 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.931 112.0 50.3 -59.9 -45.9 50.0 6.3 201.2 346 348 A L H X S+ 0 0 25 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.901 108.2 52.9 -57.6 -41.7 48.4 8.8 198.8 347 349 A A H X S+ 0 0 17 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.929 111.9 45.0 -63.7 -44.0 47.6 11.2 201.8 348 350 A A H X S+ 0 0 29 -4,-2.2 4,-1.9 2,-0.2 3,-0.3 0.950 113.1 49.8 -62.8 -49.9 51.3 11.1 202.9 349 351 A L H X S+ 0 0 13 -4,-3.0 4,-2.5 1,-0.3 -2,-0.2 0.852 106.3 57.8 -58.9 -33.4 52.5 11.5 199.3 350 352 A T H X S+ 0 0 43 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.3 0.917 102.9 53.3 -61.8 -40.3 50.1 14.5 199.0 351 353 A Q H X S+ 0 0 25 -4,-1.6 4,-1.3 -3,-0.3 -2,-0.2 0.948 112.0 44.7 -58.1 -47.7 51.9 16.1 202.0 352 354 A Q H X S+ 0 0 98 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.883 111.9 51.5 -66.8 -37.9 55.2 15.7 200.2 353 355 A A H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 3,-0.2 0.908 105.0 57.0 -64.0 -41.6 53.9 17.0 196.9 354 356 A N H X S+ 0 0 84 -4,-2.6 4,-1.0 1,-0.3 -1,-0.2 0.839 102.5 55.2 -60.3 -32.9 52.4 20.0 198.6 355 357 A A H < S+ 0 0 58 -4,-1.3 3,-0.3 2,-0.2 -1,-0.3 0.886 109.7 46.5 -68.4 -35.0 55.9 20.9 199.9 356 358 A Q H >< S+ 0 0 27 -4,-1.4 3,-2.5 -3,-0.2 4,-0.3 0.921 105.6 59.0 -71.3 -39.0 57.1 20.8 196.3 357 359 A W H >< S+ 0 0 41 -4,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.723 93.1 68.1 -58.7 -25.3 54.1 22.9 195.2 358 360 A A T 3< S+ 0 0 81 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.631 100.2 51.1 -66.6 -12.8 55.4 25.6 197.6 359 361 A R T < S+ 0 0 111 -3,-2.5 2,-0.3 -4,-0.2 -1,-0.2 0.483 115.8 27.1-103.2 -7.0 58.3 25.9 195.2 360 362 A M < - 0 0 4 -3,-0.9 -113,-0.2 -4,-0.3 3,-0.1 -0.950 55.1-142.8-151.3 163.8 56.5 26.4 191.9 361 363 A D S S+ 0 0 30 -115,-2.4 2,-0.3 1,-0.4 -114,-0.2 0.726 90.0 7.6 -98.1 -32.1 53.3 27.6 190.3 362 364 A I E S-h 247 0A 0 -116,-1.4 -114,-3.0 60,-0.1 2,-0.4 -0.967 70.6-126.7-150.8 153.7 53.1 25.0 187.6 363 365 A L E -hI 248 421A 0 58,-3.2 58,-3.1 -2,-0.3 2,-0.6 -0.923 14.3-155.6-113.1 135.3 54.9 21.8 186.7 364 366 A L E + I 0 420A 0 -116,-2.8 56,-0.2 -2,-0.4 -117,-0.0 -0.930 23.8 164.6-115.1 116.7 56.4 21.1 183.2 365 367 A L E - I 0 419A 1 54,-2.6 54,-2.8 -2,-0.6 2,-0.1 -0.860 46.3 -96.5-125.4 154.3 56.9 17.4 182.2 366 368 A P E - I 0 418A 1 0, 0.0 52,-0.3 0, 0.0 25,-0.0 -0.494 37.8-132.9 -56.1 138.7 57.5 15.3 179.1 367 369 A T S S- 0 0 1 50,-2.7 24,-0.3 1,-0.3 51,-0.2 0.974 87.5 -3.3 -63.1 -47.1 54.0 14.2 178.2 368 370 A A - 0 0 2 49,-0.5 -1,-0.3 -196,-0.1 49,-0.1 -0.967 67.6-127.9-140.0 156.5 55.4 10.6 177.8 369 371 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 -109,-0.2 0.695 86.0 -13.5 -79.9 -17.3 59.0 9.3 178.2 370 372 A T - 0 0 11 -107,-0.1 2,-0.3 -111,-0.1 -112,-0.1 -0.941 59.7-121.3-164.7-179.3 58.9 7.6 174.8 371 373 A I - 0 0 10 -2,-0.3 2,-0.3 -3,-0.1 -108,-0.1 -0.977 27.2-147.8-139.7 149.0 56.8 6.3 172.0 372 374 A H - 0 0 20 -2,-0.3 -230,-2.5 -248,-0.1 2,-0.2 -0.906 17.2-113.3-127.1 147.2 56.4 2.8 170.7 373 375 A K B > -N 141 0E 92 -2,-0.3 4,-2.1 -232,-0.2 -232,-0.3 -0.502 34.1-121.2 -68.1 141.8 55.9 0.8 167.5 374 376 A V H > S+ 0 0 9 -234,-2.6 4,-2.3 1,-0.2 5,-0.1 0.895 114.2 51.9 -50.1 -42.1 52.6 -1.0 167.5 375 377 A E H > S+ 0 0 87 -235,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.859 105.0 54.6 -69.3 -36.5 54.5 -4.3 167.1 376 378 A A H > S+ 0 0 40 -3,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.925 110.6 46.7 -59.2 -44.0 56.7 -3.6 170.0 377 379 A V H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.912 105.8 58.8 -67.0 -40.7 53.7 -3.1 172.2 378 380 A M H 3< S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.865 110.9 43.3 -54.6 -38.8 52.0 -6.3 170.9 379 381 A A H 3< S+ 0 0 85 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.686 130.8 23.9 -78.1 -21.1 54.9 -8.3 172.1 380 382 A D S S+ 0 0 70 3,-0.1 4,-2.4 2,-0.1 3,-0.2 0.896 118.7 43.4 -93.4 -57.0 51.8 -4.5 179.9 383 385 A R H > S+ 0 0 148 1,-0.2 4,-1.8 2,-0.2 -6,-0.1 0.899 114.9 47.9 -54.4 -50.2 55.3 -3.3 180.5 384 386 A L H X S+ 0 0 14 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.849 111.8 51.3 -68.4 -31.3 55.5 -0.9 177.5 385 387 A N H >> S+ 0 0 6 -5,-0.4 3,-1.0 2,-0.2 4,-0.6 0.939 105.5 55.2 -65.9 -44.7 52.1 0.6 178.4 386 388 A S H >< S+ 0 0 68 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.865 99.3 61.6 -60.4 -38.1 53.2 1.2 182.0 387 389 A Q H >< S+ 0 0 20 -4,-1.8 3,-1.7 1,-0.3 -1,-0.3 0.878 97.6 59.1 -50.8 -41.0 56.2 3.2 180.8 388 390 A L H << S+ 0 0 0 -3,-1.0 3,-0.3 -4,-0.9 -1,-0.3 0.680 99.2 57.6 -67.9 -17.0 53.7 5.6 179.1 389 391 A G T 4 S+ 0 0 1 -4,-0.2 3,-1.9 -3,-0.2 4,-0.3 0.830 84.2 78.6 -96.6 -35.0 50.8 11.2 183.8 393 395 A N T 3< S+ 0 0 17 -4,-2.1 4,-0.4 1,-0.3 3,-0.1 0.575 88.7 55.0 -68.0 -14.8 49.4 8.8 186.4 394 396 A F T 3> S+ 0 0 0 -5,-0.2 4,-2.5 1,-0.1 -1,-0.3 0.654 84.3 89.4 -82.0 -18.4 49.5 11.0 189.5 395 397 A V T <4>S+ 0 0 0 -3,-1.9 5,-2.6 -227,-0.3 -1,-0.1 0.858 93.6 31.9 -60.9 -47.7 47.5 13.9 188.0 396 398 A N T >45S+ 0 0 1 -229,-0.5 3,-1.5 -4,-0.3 -1,-0.2 0.893 117.0 57.5 -77.7 -35.3 43.9 12.9 188.9 397 399 A L T 345S+ 0 0 13 -4,-0.4 -2,-0.2 1,-0.3 -1,-0.2 0.857 111.9 42.3 -54.1 -39.7 45.0 11.2 192.2 398 400 A L T 3<5S- 0 0 21 -4,-2.5 -1,-0.3 -109,-0.1 26,-0.2 0.210 117.0-115.7 -97.0 15.6 46.6 14.5 193.3 399 401 A D T < 5 + 0 0 48 -3,-1.5 25,-1.0 1,-0.2 2,-0.3 0.939 61.3 152.2 56.4 58.3 43.6 16.5 192.1 400 402 A C E < - 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0 0 38 -2,-0.3 4,-0.3 -35,-0.2 71,-0.1 -0.759 35.1-173.8 -83.5 110.6 15.9 16.8 205.2 747 288 B F >> + 0 0 1 -2,-0.8 4,-2.7 1,-0.2 3,-0.8 0.590 57.0 99.4 -82.4 -9.5 18.2 14.8 207.6 748 289 B A H 3> S+ 0 0 16 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.814 78.6 49.3 -49.8 -46.7 18.1 11.7 205.3 749 290 B P H 3> S+ 0 0 3 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.860 114.3 46.6 -68.9 -30.8 21.5 12.1 203.5 750 291 B F H <> S+ 0 0 0 -3,-0.8 4,-2.3 -4,-0.3 -2,-0.2 0.923 113.3 49.7 -70.1 -45.0 23.2 12.7 206.9 751 292 B R H X S+ 0 0 69 -4,-2.7 4,-1.2 2,-0.2 -3,-0.2 0.913 114.1 44.4 -55.7 -46.9 21.4 9.7 208.3 752 293 B D H X S+ 0 0 49 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.838 110.6 53.4 -74.6 -32.1 22.4 7.5 205.4 753 294 B A H >< S+ 0 0 0 -4,-1.8 3,-1.3 -5,-0.3 4,-0.5 0.927 104.6 58.0 -63.0 -42.0 26.0 8.8 205.3 754 295 B A H >< S+ 0 0 5 -4,-2.3 3,-1.4 1,-0.3 4,-0.5 0.870 99.1 58.4 -53.3 -39.1 26.2 7.9 209.0 755 296 B K H 3X S+ 0 0 122 -4,-1.2 4,-2.2 1,-0.3 3,-0.3 0.726 92.1 69.1 -68.5 -21.0 25.3 4.2 208.2 756 297 B L H < S- 0 0 11 -4,-0.9 3,-0.9 -5,-0.3 4,-0.1 -0.384 110.6 -74.2-119.6-162.5 29.7 0.3 204.9 761 302 B P G > S+ 0 0 7 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.558 102.3 91.2 -82.7 -7.6 33.4 -0.4 204.3 762 303 B W G > S+ 0 0 10 -6,-0.9 3,-2.2 1,-0.3 4,-0.5 0.786 73.3 73.3 -59.7 -23.8 35.0 2.2 206.6 763 304 B V G X> S+ 0 0 10 -3,-0.9 3,-1.4 -6,-0.3 4,-1.1 0.803 83.4 71.0 -57.8 -24.9 35.1 -0.5 209.4 764 305 B A H <> S+ 0 0 0 -3,-2.2 4,-2.2 1,-0.3 -1,-0.3 0.784 83.2 68.7 -63.4 -24.7 37.9 -2.0 207.3 765 306 B E H <> S+ 0 0 0 -3,-2.2 4,-1.6 -4,-0.3 -104,-0.3 0.850 98.7 50.3 -60.3 -31.8 40.1 1.0 208.4 766 307 B R H <> S+ 0 0 5 -3,-1.4 4,-1.8 -4,-0.5 -1,-0.2 0.846 106.1 54.6 -75.8 -35.1 40.0 -0.5 211.9 767 308 B L H X S+ 0 0 16 -4,-1.1 4,-1.2 1,-0.2 -2,-0.2 0.890 106.7 51.7 -65.4 -37.1 41.0 -3.9 210.6 768 309 B E H < S+ 0 0 42 -4,-2.2 4,-0.3 1,-0.2 3,-0.3 0.932 109.0 52.3 -62.1 -43.1 44.0 -2.2 209.0 769 310 B A H < S+ 0 0 21 -4,-1.6 -2,-0.2 -110,-0.4 -1,-0.2 0.835 127.1 16.9 -64.7 -36.7 44.9 -0.6 212.3 770 311 B V H X S+ 0 0 5 -4,-1.8 4,-2.6 -111,-0.1 -1,-0.2 0.253 87.7 115.5-124.6 12.9 44.9 -3.8 214.5 771 312 B G H X S+ 0 0 18 -4,-1.2 4,-2.2 -3,-0.3 5,-0.3 0.827 75.5 53.6 -57.3 -37.5 45.1 -6.5 211.9 772 313 B D H > S+ 0 0 123 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.956 113.2 42.2 -62.8 -50.0 48.6 -7.7 213.0 773 314 B H H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.895 114.1 54.5 -64.0 -34.4 47.5 -8.2 216.6 774 315 B L H < S+ 0 0 6 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.875 111.6 40.7 -69.4 -38.4 44.2 -9.7 215.5 775 316 B S H < S+ 0 0 104 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.902 113.9 55.2 -78.6 -39.0 45.7 -12.4 213.3 776 317 B R H < S- 0 0 136 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.878 136.9 -12.7 -53.7 -44.6 48.4 -13.1 215.9 777 318 B A >< - 0 0 33 -4,-2.3 3,-2.0 -5,-0.2 -1,-0.2 -0.451 55.9-178.0-165.5 85.2 45.7 -13.6 218.7 778 319 B P G > S+ 0 0 37 0, 0.0 3,-1.9 0, 0.0 -3,-0.1 0.794 83.9 68.3 -60.8 -24.7 42.1 -12.8 218.2 779 320 B D G 3 S+ 0 0 128 1,-0.3 -5,-0.1 -5,-0.1 7,-0.0 0.705 83.9 72.6 -69.5 -15.2 41.3 -13.9 221.7 780 321 B S G < S+ 0 0 29 -3,-2.0 -231,-0.3 -7,-0.2 -1,-0.3 0.623 88.8 87.4 -68.3 -6.6 43.4 -10.9 223.0 781 322 B F S < S- 0 0 8 -3,-1.9 -234,-0.1 -4,-0.2 6,-0.0 -0.650 93.1 -99.7-100.9 145.4 40.4 -8.7 221.8 782 323 B D > - 0 0 27 -2,-0.3 4,-3.3 -194,-0.2 5,-0.2 -0.392 43.4-123.0 -50.4 135.3 37.2 -7.6 223.5 783 324 B P H > S+ 0 0 94 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.755 106.4 46.5 -63.7 -32.2 34.7 -10.1 222.0 784 325 B V H > S+ 0 0 26 2,-0.2 4,-2.0 3,-0.1 5,-0.1 0.906 116.5 43.7 -77.0 -44.2 32.4 -7.5 220.5 785 326 B V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.941 112.3 54.6 -63.8 -47.6 35.1 -5.4 218.9 786 327 B R H X S+ 0 0 85 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.913 109.0 48.3 -47.4 -48.7 36.8 -8.6 217.7 787 328 B S H X S+ 0 0 60 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.892 111.2 49.6 -66.4 -39.1 33.6 -9.6 216.0 788 329 B I H X S+ 0 0 30 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.948 116.1 41.2 -63.9 -47.4 33.2 -6.3 214.3 789 330 B V H < S+ 0 0 2 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.838 111.2 56.6 -73.7 -31.9 36.7 -6.1 213.0 790 331 B E H >< S+ 0 0 68 -4,-2.5 3,-1.4 -5,-0.3 -1,-0.2 0.905 104.1 54.1 -65.1 -39.1 36.8 -9.8 212.0 791 332 B T H >< S+ 0 0 91 -4,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.851 95.6 67.0 -63.7 -31.9 33.7 -9.2 209.8 792 333 B A G >< S+ 0 0 3 -4,-1.1 3,-2.1 1,-0.3 -1,-0.3 0.726 81.2 81.7 -59.2 -20.3 35.5 -6.4 208.0 793 334 B K G < S+ 0 0 110 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.708 83.6 59.4 -62.1 -19.7 37.9 -9.0 206.6 794 335 B T G < S+ 0 0 115 -3,-1.7 2,-0.4 -4,-0.2 -1,-0.3 0.434 80.2 106.9 -90.8 -0.2 35.3 -9.9 203.9 795 336 B L < - 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0 0 20 -4,-2.4 2,-2.3 -36,-0.4 -34,-0.2 -0.549 64.6-166.9-159.1 74.8 21.7 24.1 230.8 904 445 B P + 0 0 74 0, 0.0 9,-0.5 0, 0.0 2,-0.3 -0.362 59.0 70.0 -81.7 65.1 24.3 26.5 232.1 905 446 B G E -G 912 0O 1 -2,-2.3 2,-0.3 7,-0.2 7,-0.2 -0.929 63.7-141.5-160.4 170.2 26.4 24.2 234.3 906 447 B Y E > +G 911 0O 19 5,-1.4 5,-2.0 -2,-0.3 3,-0.4 -0.972 48.2 7.7-139.6 157.6 28.8 21.2 233.7 907 448 B G T > 5S- 0 0 1 -267,-2.7 3,-1.6 -2,-0.3 -290,-0.2 -0.056 104.3 -34.7 74.0-171.5 29.7 17.9 235.2 908 449 B Q T 3 5S+ 0 0 64 -292,-3.0 -1,-0.2 1,-0.3 -291,-0.1 0.708 138.2 42.6 -65.2 -22.7 28.2 15.9 238.1 909 450 B D T 3 5S- 0 0 125 -3,-0.4 -1,-0.3 -293,-0.3 -2,-0.2 0.330 105.4-119.4-102.0 7.2 27.1 18.9 240.2 910 451 B R T < 5 - 0 0 123 -3,-1.6 -3,-0.2 1,-0.1 3,-0.1 0.926 53.1-163.2 50.2 44.1 25.8 21.0 237.3 911 452 B A E < -G 906 0O 29 -5,-2.0 -5,-1.4 -6,-0.2 -1,-0.1 -0.122 23.4 -81.9 -64.8 150.3 28.5 23.3 238.5 912 453 B S E -G 905 0O 106 -7,-0.2 -7,-0.2 1,-0.1 -1,-0.2 -0.243 50.5-115.3 -46.2 130.0 28.8 27.0 237.7 913 454 B L - 0 0 12 -9,-0.5 -1,-0.1 -3,-0.1 -241,-0.1 -0.536 29.7-117.5 -71.5 133.8 30.5 27.5 234.3 914 455 B P - 0 0 4 0, 0.0 -240,-0.2 0, 0.0 -239,-0.1 -0.316 45.3 -83.9 -62.3 153.0 33.9 29.2 234.5 915 456 B D S S+ 0 0 92 -241,-0.1 -448,-0.1 2,-0.1 2,-0.1 -0.592 84.1 77.2 -81.0 160.2 34.2 32.6 232.7 916 457 B P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 -242,-0.3 0.434 53.8-154.8 -92.8 162.7 34.7 33.8 230.2 917 458 B V - 0 0 54 -2,-0.1 2,-0.3 -243,-0.1 -24,-0.1 -0.664 34.3-108.0 -77.9 149.5 31.6 33.7 228.1 918 459 B L - 0 0 34 -2,-0.3 2,-0.3 -26,-0.1 -1,-0.0 -0.622 37.4-161.9 -80.0 142.0 32.6 33.9 224.4 919 460 B E - 0 0 136 -2,-0.3 2,-0.1 -3,-0.0 -26,-0.1 -0.911 31.2 -84.5-124.1 156.0 31.8 37.2 222.6 920 461 B E + 0 0 63 -2,-0.3 -30,-0.0 1,-0.1 -217,-0.0 -0.344 47.8 173.0 -58.6 123.7 31.4 38.2 218.9 921 462 B T 0 0 83 -2,-0.1 -1,-0.1 -3,-0.0 -2,-0.0 0.978 360.0 360.0 -59.7 -75.1 34.9 39.0 217.5 922 463 B N 0 0 138 -3,-0.0 -2,-0.0 0, 0.0 -3,-0.0 0.688 360.0 360.0-119.3 360.0 34.3 39.4 214.7