==== 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 LYASE 25-JUN-10 3NOJ . COMPND 2 MOLECULE: 4-CARBOXY-4-HYDROXY-2-OXOADIPATE ALDOLASE/OXALOAC . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR M.S.KIMBER,W.WANG,S.MAZURKEWICH,S.Y.K.SEAH . 235 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 13 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 4 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 1 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 2 A N > 0 0 157 0, 0.0 2,-1.0 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 -14.7 31.7 2.1 72.0 2 3 A T T 3 + 0 0 139 1,-0.3 4,-0.0 3,-0.1 0, 0.0 0.048 360.0 66.3 51.8 -72.2 31.9 5.7 73.4 3 4 A L T > + 0 0 88 -2,-1.0 3,-1.7 2,-0.1 -1,-0.3 0.512 67.8 116.5 -78.3 -5.7 30.9 8.0 70.5 4 5 A I T < S+ 0 0 68 -3,-0.8 152,-0.1 1,-0.2 3,-0.1 -0.394 83.8 14.5 -62.8 134.7 27.2 6.9 70.3 5 6 A G T 3 S+ 0 0 51 150,-0.5 -1,-0.2 1,-0.3 2,-0.2 0.353 91.6 139.0 82.9 -5.6 24.8 9.8 71.2 6 7 A K < - 0 0 105 -3,-1.7 -1,-0.3 -4,-0.0 2,-0.3 -0.514 35.7-158.4 -73.9 139.0 27.6 12.4 70.9 7 8 A T + 0 0 66 -2,-0.2 144,-0.2 1,-0.1 143,-0.1 -0.777 59.2 43.4-118.9 161.7 26.5 15.7 69.2 8 9 A G S S+ 0 0 43 142,-3.2 2,-0.4 -2,-0.3 143,-0.2 0.587 85.3 113.9 85.3 14.8 28.3 18.5 67.4 9 10 A I E -a 151 0A 66 141,-0.6 143,-2.1 -3,-0.2 2,-0.5 -0.957 42.3-171.7-124.8 135.2 30.6 16.3 65.3 10 11 A V E -a 152 0A 56 -2,-0.4 2,-0.6 141,-0.2 143,-0.2 -0.981 11.4-157.1-120.3 117.4 31.0 15.6 61.6 11 12 A V - 0 0 49 141,-2.5 -2,-0.0 -2,-0.5 3,-0.0 -0.850 8.3-169.7 -89.8 120.2 33.4 12.8 60.6 12 13 A R + 0 0 187 -2,-0.6 2,-0.5 1,-0.1 -1,-0.2 0.939 64.3 52.7 -78.2 -51.5 34.4 13.5 57.0 13 14 A N + 0 0 130 140,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.786 60.5 169.2 -97.7 125.2 36.2 10.3 56.0 14 15 A I - 0 0 24 -2,-0.5 2,-0.5 -3,-0.0 152,-0.1 -0.966 37.1-116.2-127.1 148.2 34.6 6.9 56.4 15 16 A Q - 0 0 122 -2,-0.3 2,-0.3 150,-0.2 166,-0.1 -0.752 37.1-157.9 -81.1 125.5 35.8 3.5 55.0 16 17 A R - 0 0 48 -2,-0.5 151,-0.1 1,-0.1 2,-0.1 -0.782 15.0-121.8-102.7 148.6 33.2 2.2 52.6 17 18 A A - 0 0 13 149,-0.7 2,-0.3 -2,-0.3 42,-0.1 -0.248 52.0 -79.8 -70.0 178.5 32.5 -1.3 51.5 18 19 A E > - 0 0 129 1,-0.1 4,-2.6 -2,-0.1 3,-0.3 -0.623 26.8-126.0-104.6 144.7 32.8 -1.8 47.7 19 20 A L H > S+ 0 0 94 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.832 106.4 48.3 -55.9 -46.2 30.1 -0.9 45.1 20 21 A D H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 113.8 47.1 -64.1 -43.6 29.9 -4.3 43.4 21 22 A S H > S+ 0 0 23 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.924 113.8 48.8 -61.3 -46.5 29.6 -6.2 46.7 22 23 A I H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.932 110.1 51.2 -59.0 -48.4 26.9 -3.7 47.9 23 24 A D H X S+ 0 0 59 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.885 109.0 51.0 -57.7 -43.5 25.0 -4.0 44.6 24 25 A A H X S+ 0 0 31 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.899 107.0 53.3 -62.2 -43.5 24.9 -7.8 44.8 25 26 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.907 106.4 54.0 -58.3 -42.5 23.6 -7.7 48.4 26 27 A G H < S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.879 108.9 48.3 -57.2 -40.9 20.8 -5.5 47.2 27 28 A R H < S+ 0 0 203 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.800 108.8 53.3 -71.6 -30.6 19.8 -8.0 44.5 28 29 A L H < S- 0 0 45 -4,-1.7 4,-0.4 -5,-0.1 -2,-0.2 0.830 106.3-143.0 -75.1 -34.0 19.9 -11.0 47.0 29 30 A G X - 0 0 6 -4,-1.9 4,-2.3 -5,-0.2 5,-0.2 0.035 19.7 -70.8 92.9 166.5 17.5 -9.1 49.4 30 31 A V H > S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.906 122.6 49.5 -65.3 -49.5 16.9 -8.7 53.1 31 32 A A H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 115.0 44.3 -57.5 -47.9 15.6 -12.1 54.0 32 33 A T H > S+ 0 0 20 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.926 116.1 46.6 -65.1 -44.3 18.5 -14.0 52.3 33 34 A V H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.917 112.1 50.9 -64.3 -44.6 21.2 -11.6 53.6 34 35 A H H <>S+ 0 0 34 -4,-3.0 5,-2.1 1,-0.2 6,-0.7 0.927 113.1 45.3 -58.1 -48.3 19.8 -11.8 57.2 35 36 A E H ><5S+ 0 0 71 -4,-2.4 3,-1.7 -5,-0.2 -1,-0.2 0.887 106.4 61.0 -62.7 -39.8 19.7 -15.5 57.1 36 37 A A H 3<5S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.783 104.4 48.6 -60.8 -31.2 23.2 -15.6 55.6 37 38 A Q T 3<5S- 0 0 9 -4,-1.3 -1,-0.3 -3,-0.5 3,-0.2 -0.089 129.5 -92.5-103.9 35.7 24.7 -13.8 58.6 38 39 A N T < 5S- 0 0 128 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.2 0.825 76.4 -60.0 64.7 36.4 23.0 -16.2 61.1 39 40 A R S - 0 0 38 115,-2.2 3,-2.2 1,-0.2 -1,-0.2 -0.148 40.4-126.8 -45.6 134.8 12.6 -3.2 63.6 45 46 A S T 3 S+ 0 0 98 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.601 106.6 75.1 -63.3 -9.4 9.8 -4.5 61.4 46 47 A K T 3 S+ 0 0 139 113,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.586 71.2 92.9 -76.2 -14.5 8.2 -1.0 62.0 47 48 A M < + 0 0 1 -3,-2.2 90,-0.2 112,-0.1 129,-0.1 -0.777 66.8 178.3 -76.8 109.4 10.7 0.5 59.5 48 49 A R E -C 136 0A 114 88,-2.6 88,-2.7 -2,-0.8 2,-0.1 -0.938 30.3-112.1-124.3 147.4 8.6 0.3 56.3 49 50 A P E -C 135 0A 22 0, 0.0 86,-0.2 0, 0.0 84,-0.0 -0.435 9.7-149.8 -72.4 144.9 9.1 1.2 52.7 50 51 A I S S+ 0 0 16 84,-2.3 2,-0.3 -2,-0.1 85,-0.1 0.426 84.3 47.6 -88.7 -1.1 7.0 4.1 51.3 51 52 A Q S S- 0 0 26 83,-0.4 2,-0.4 3,-0.1 3,-0.1 -0.845 80.0-124.6-131.7 167.3 7.2 2.3 47.9 52 53 A Q S S+ 0 0 184 -2,-0.3 -2,-0.0 1,-0.1 120,-0.0 -0.960 81.8 19.6-118.0 134.8 6.6 -1.2 46.5 53 54 A G S S+ 0 0 59 -2,-0.4 2,-0.5 1,-0.3 -1,-0.1 0.442 81.6 125.3 97.5 3.3 9.0 -3.3 44.5 54 55 A T + 0 0 54 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 -0.858 28.4 174.3-100.2 127.8 12.4 -1.6 45.3 55 56 A S + 0 0 56 -2,-0.5 2,-0.3 117,-0.2 117,-0.2 -0.998 19.4 138.2-128.6 131.0 15.3 -3.6 46.7 56 57 A L E -D 171 0A 25 115,-2.6 115,-2.7 -2,-0.4 2,-0.3 -0.926 31.7-147.9-158.7 175.0 18.7 -2.0 47.1 57 58 A A E +D 170 0A 1 -2,-0.3 2,-0.3 113,-0.2 113,-0.2 -0.974 17.9 163.4-150.0 160.0 21.8 -1.6 49.2 58 59 A G E -D 169 0A 0 111,-1.8 111,-2.7 -2,-0.3 2,-0.4 -0.981 43.6 -79.6-165.3 170.9 24.4 1.1 50.0 59 60 A S E -De 168 84A 4 24,-0.9 26,-2.7 -2,-0.3 2,-0.3 -0.675 54.2-114.1 -80.2 128.9 27.1 2.3 52.3 60 61 A A E - e 0 85A 0 107,-3.3 106,-2.8 -2,-0.4 2,-0.6 -0.481 25.8-171.8 -72.0 121.7 25.7 4.0 55.4 61 62 A V E - e 0 86A 0 24,-2.3 26,-2.7 -2,-0.3 2,-0.3 -0.988 29.5-146.1-102.6 116.1 26.3 7.7 56.0 62 63 A T E - e 0 87A 0 -2,-0.6 91,-2.8 24,-0.2 2,-0.4 -0.620 19.0-172.1 -95.7 147.0 24.9 8.0 59.5 63 64 A V E -Fe 152 88A 0 24,-2.2 26,-2.5 -2,-0.3 2,-0.5 -0.993 12.5-161.3-138.7 129.2 23.1 10.9 61.0 64 65 A L E -Fe 151 89A 12 87,-2.4 87,-1.8 -2,-0.4 2,-0.3 -0.957 20.8-173.4-103.4 123.5 22.0 11.7 64.6 65 66 A V E - e 0 90A 2 24,-2.0 26,-2.4 -2,-0.5 27,-0.3 -0.891 25.8-113.6-117.6 147.2 19.4 14.4 64.7 66 67 A A > - 0 0 7 82,-0.4 3,-1.7 -2,-0.3 2,-0.1 -0.355 54.9 -77.9 -69.1 160.5 17.8 16.1 67.7 67 68 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 81,-0.1 -0.417 117.6 1.9 -66.2 133.7 14.1 15.3 68.3 68 69 A G T 3 S+ 0 0 13 1,-0.2 77,-2.5 -2,-0.1 2,-0.4 0.761 112.1 110.7 63.4 27.8 12.0 17.4 65.9 69 70 A D B < +k 145 0B 2 -3,-1.7 3,-0.2 75,-0.3 77,-0.2 -0.968 39.4 175.3-141.3 116.9 15.1 18.8 64.3 70 71 A N >> + 0 0 23 75,-1.8 3,-1.8 -2,-0.4 4,-0.6 0.128 43.7 120.5-107.9 20.7 16.4 18.0 60.8 71 72 A W H >> S+ 0 0 101 74,-0.5 4,-0.9 1,-0.3 3,-0.6 0.846 70.4 57.8 -53.8 -39.0 19.4 20.4 60.8 72 73 A M H 3> S+ 0 0 6 -3,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.615 85.8 78.3 -75.0 -12.5 21.9 17.7 60.2 73 74 A F H <> S+ 0 0 1 -3,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.956 98.9 42.5 -59.5 -50.1 20.3 16.4 57.0 74 75 A H H < S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 4,-0.4 0.823 97.6 68.5 -70.8 -34.4 25.1 15.1 55.9 77 78 A V H >< S+ 0 0 10 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.899 95.8 55.9 -52.6 -44.1 24.3 15.7 52.2 78 79 A E T 3< S+ 0 0 135 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.744 105.2 52.4 -61.2 -26.6 27.8 17.2 51.7 79 80 A Q T < S+ 0 0 33 -3,-1.3 -1,-0.3 -4,-0.4 2,-0.2 0.436 91.5 101.9 -90.1 -0.9 29.4 14.0 53.1 80 81 A C < - 0 0 1 -3,-1.7 32,-0.1 -4,-0.4 3,-0.0 -0.596 48.2-172.0 -89.9 146.0 27.5 11.7 50.7 81 82 A R > - 0 0 138 -2,-0.2 3,-2.2 30,-0.1 29,-0.1 -0.861 44.4 -69.9-125.2 161.7 28.9 10.0 47.6 82 83 A P T 3 S+ 0 0 102 0, 0.0 30,-0.2 0, 0.0 29,-0.2 -0.281 121.8 29.8 -52.4 133.3 27.2 8.0 44.9 83 84 A G T 3 S+ 0 0 7 28,-2.2 -24,-0.9 1,-0.4 29,-0.1 0.150 91.4 126.1 100.9 -16.7 26.1 4.6 46.3 84 85 A D E < -e 59 0A 1 -3,-2.2 29,-2.7 -26,-0.2 30,-0.5 -0.321 47.9-150.5 -71.1 154.3 25.6 5.9 49.8 85 86 A V E -eg 60 114A 0 -26,-2.7 -24,-2.3 27,-0.2 2,-0.4 -1.000 18.2-129.8-121.7 128.1 22.4 5.4 51.8 86 87 A L E -eg 61 115A 0 28,-2.1 30,-2.8 -2,-0.4 2,-0.5 -0.682 22.5-167.4 -79.1 129.9 21.6 8.0 54.4 87 88 A V E -eg 62 116A 1 -26,-2.7 -24,-2.2 -2,-0.4 2,-0.4 -0.979 10.2-176.4-123.9 116.1 20.7 6.4 57.8 88 89 A V E +eg 63 117A 0 28,-3.0 30,-2.5 -2,-0.5 -24,-0.2 -0.931 12.1 175.7-125.0 133.3 19.1 8.7 60.3 89 90 A S E -e 64 0A 9 -26,-2.5 -24,-2.0 -2,-0.4 2,-0.1 -1.000 26.3-128.9-133.8 138.1 18.0 8.3 63.9 90 91 A P E -e 65 0A 12 0, 0.0 -24,-0.2 0, 0.0 67,-0.1 -0.490 25.3-119.7 -76.9 154.1 16.7 10.9 66.3 91 92 A S S S+ 0 0 71 -26,-2.4 -25,-0.1 -2,-0.1 -27,-0.0 0.655 101.9 16.3 -71.9 -17.2 18.3 11.2 69.7 92 93 A S S S- 0 0 54 -27,-0.3 -1,-0.1 2,-0.0 -27,-0.0 -0.970 111.6 -68.8-147.9 156.3 14.9 10.3 71.2 93 94 A P + 0 0 130 0, 0.0 2,-0.3 0, 0.0 26,-0.1 -0.117 62.3 157.2 -53.0 131.7 11.8 8.8 69.6 94 95 A C - 0 0 21 24,-0.5 26,-0.1 2,-0.1 -2,-0.0 -0.964 31.0-171.5-156.1 135.8 10.1 11.1 67.1 95 96 A T + 0 0 63 -2,-0.3 47,-0.2 24,-0.2 26,-0.1 0.126 44.7 130.7-117.2 19.6 7.8 10.6 64.2 96 97 A D S S- 0 0 44 24,-0.1 24,-1.5 1,-0.1 2,-1.3 -0.221 75.0 -89.6 -64.2 162.4 7.7 14.1 62.8 97 98 A G B +h 120 0A 1 45,-2.8 47,-0.3 1,-0.2 24,-0.2 -0.635 54.6 165.0 -79.5 92.3 8.3 14.7 59.1 98 99 A Y + 0 0 1 22,-2.1 2,-0.3 -2,-1.3 -1,-0.2 0.655 60.6 34.6 -78.2 -18.5 12.1 15.1 59.0 99 100 A F + 0 0 2 21,-0.5 23,-2.9 -3,-0.1 2,-0.2 -0.989 58.4 151.2-149.8 139.1 12.5 14.7 55.3 100 101 A G > - 0 0 8 -2,-0.3 4,-2.0 21,-0.2 23,-0.2 -0.689 60.2 -52.5-149.8-153.2 10.7 15.4 52.1 101 102 A D H > S+ 0 0 35 1,-0.2 4,-2.2 -2,-0.2 5,-0.1 0.738 121.7 56.6 -73.6 -25.7 11.2 16.1 48.4 102 103 A L H > S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.954 112.0 41.8 -69.3 -49.6 13.7 19.0 48.6 103 104 A L H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.898 114.1 54.1 -62.7 -38.9 16.2 16.9 50.7 104 105 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.900 105.8 52.9 -61.2 -41.3 15.5 14.0 48.4 105 106 A T H X S+ 0 0 75 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.928 110.4 47.4 -57.8 -45.2 16.4 16.2 45.4 106 107 A S H X S+ 0 0 40 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.888 112.3 49.2 -64.1 -42.1 19.7 17.1 47.0 107 108 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-0.8 0.913 109.6 51.2 -64.8 -43.3 20.5 13.5 47.8 108 109 A Q H ><5S+ 0 0 74 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.846 102.9 60.4 -62.1 -35.4 19.7 12.3 44.3 109 110 A A H 3<5S+ 0 0 88 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.773 107.8 45.4 -61.4 -28.7 22.0 15.0 43.0 110 111 A R T <<5S- 0 0 107 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.386 121.2-108.6 -91.9 -1.9 24.8 13.3 44.9 111 112 A G T < 5 + 0 0 31 -3,-1.2 -28,-2.2 -4,-0.3 2,-0.2 0.701 58.4 166.0 79.4 21.1 23.8 9.8 43.7 112 113 A V < - 0 0 7 -5,-2.5 -1,-0.2 -30,-0.2 -27,-0.2 -0.537 27.2-152.3 -72.4 136.5 22.4 8.7 47.1 113 114 A R - 0 0 73 -29,-2.7 20,-0.6 -2,-0.2 2,-0.3 0.703 57.9 -26.4 -88.2 -24.7 20.3 5.6 46.7 114 115 A A E -gi 85 133A 0 -30,-0.5 -28,-2.1 18,-0.1 2,-0.4 -0.979 51.1-114.1-175.3 167.8 17.9 5.8 49.6 115 116 A L E -gi 86 134A 0 18,-1.7 20,-2.4 -2,-0.3 2,-0.5 -0.994 14.6-167.9-121.5 135.7 17.0 7.1 53.1 116 117 A I E +gi 87 135A 1 -30,-2.8 -28,-3.0 -2,-0.4 2,-0.4 -0.994 20.4 177.2-116.4 117.5 16.5 4.9 56.1 117 118 A V E -gi 88 136A 0 18,-2.7 2,-1.6 -2,-0.5 20,-0.9 -0.980 33.9-150.5-134.2 122.8 15.0 7.0 58.9 118 119 A D E S+ 0 0 21 -30,-2.5 -24,-0.5 -2,-0.4 2,-0.2 -0.325 86.1 42.2 -83.7 53.3 13.8 6.0 62.4 119 120 A A E S- 0 0 0 -2,-1.6 18,-1.9 19,-0.1 19,-1.3 -0.822 100.0 -45.2-168.9-159.0 11.2 8.8 62.3 120 121 A G E -hi 97 138A 0 -24,-1.5 -22,-2.1 -2,-0.2 -21,-0.5 -0.533 38.0-165.5 -96.8 156.7 8.7 10.4 59.9 121 122 A V E - i 0 139A 0 17,-1.5 19,-2.3 -24,-0.2 2,-0.2 -0.927 5.4-172.4-132.7 159.2 8.8 11.5 56.3 122 123 A R + 0 0 94 -23,-2.9 5,-0.1 -2,-0.3 19,-0.1 -0.756 60.5 59.0-140.9-173.0 6.5 13.6 54.1 123 124 A D > + 0 0 65 -2,-0.2 4,-2.3 -23,-0.2 3,-0.3 0.834 67.1 160.9 54.1 36.3 6.0 14.7 50.5 124 125 A T H > + 0 0 24 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.801 62.0 50.4 -68.4 -33.8 5.7 11.0 50.0 125 126 A Q H > S+ 0 0 99 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.909 112.2 49.6 -67.7 -38.4 3.9 11.0 46.6 126 127 A T H > S+ 0 0 58 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.902 108.5 53.3 -63.5 -41.4 6.6 13.3 45.3 127 128 A L H X>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 4,-0.8 0.930 111.7 45.3 -58.5 -45.7 9.2 11.0 46.6 128 129 A R H ><5S+ 0 0 93 -4,-2.3 3,-0.6 3,-0.2 -2,-0.2 0.908 111.1 53.1 -62.4 -42.2 7.6 8.1 44.7 129 130 A D H 3<5S+ 0 0 120 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.844 112.0 45.7 -61.8 -35.5 7.3 10.3 41.6 130 131 A M H 3<5S- 0 0 50 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.610 111.4-124.0 -78.7 -18.2 11.0 11.1 41.8 131 132 A G T <<5 + 0 0 59 -4,-0.8 2,-0.7 -3,-0.6 -3,-0.2 0.831 56.9 152.3 73.0 33.0 11.8 7.4 42.5 132 133 A F < - 0 0 3 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.879 39.7-137.2 -96.8 114.1 13.7 8.2 45.7 133 134 A A E - i 0 114A 5 -2,-0.7 -18,-1.7 -20,-0.6 2,-0.4 -0.492 25.8-179.9 -79.4 135.8 13.4 5.2 47.9 134 135 A V E - i 0 115A 0 -2,-0.2 -84,-2.3 -20,-0.2 2,-0.4 -0.992 21.4-165.1-138.0 137.8 12.6 5.6 51.6 135 136 A W E +Ci 49 116A 0 -20,-2.4 -18,-2.7 -2,-0.4 2,-0.3 -0.998 31.0 164.2-116.2 127.0 12.2 3.3 54.6 136 137 A A E -Ci 48 117A 6 -88,-2.7 -88,-2.6 -2,-0.4 -18,-0.2 -0.944 48.5-130.9-143.2 159.7 10.5 5.2 57.6 137 138 A R E S+ 0 0 81 -18,-1.9 2,-0.3 -20,-0.9 -17,-0.2 0.676 91.7 3.6 -80.6 -21.0 8.8 4.6 60.9 138 139 A A E - i 0 120A 27 -19,-1.3 -17,-1.5 -42,-0.1 2,-0.5 -0.992 57.9-128.8-161.0 154.5 5.9 7.0 60.0 139 140 A I E + i 0 121A 107 -2,-0.3 2,-0.3 -19,-0.2 -17,-0.2 -0.983 46.5 155.5-107.8 120.3 4.4 9.2 57.3 140 141 A N - 0 0 50 -19,-2.3 -2,-0.1 -2,-0.5 -20,-0.0 -0.926 39.9-158.6-155.0 120.8 3.8 12.6 59.0 141 142 A A + 0 0 74 -2,-0.3 2,-0.2 -45,-0.1 -19,-0.1 0.568 57.4 121.5 -77.7 -10.0 3.5 16.1 57.5 142 143 A Q - 0 0 122 -47,-0.2 -45,-2.8 -21,-0.1 -22,-0.1 -0.374 61.4-130.5 -58.0 122.6 4.4 17.7 60.9 143 144 A G - 0 0 30 -2,-0.2 2,-0.2 -47,-0.2 -45,-0.1 -0.067 13.7-138.1 -74.3 173.0 7.5 19.9 60.2 144 145 A T - 0 0 32 -47,-0.3 -75,-0.3 -48,-0.1 2,-0.2 -0.686 10.9-127.4-121.1 175.2 10.8 20.1 62.1 145 146 A V B -k 69 0B 71 -77,-2.5 -75,-1.8 -2,-0.2 -74,-0.5 -0.565 10.1-132.7-114.3-179.5 13.2 22.9 63.2 146 147 A K + 0 0 112 -77,-0.2 -77,-0.1 -2,-0.2 3,-0.1 -0.613 69.2 104.0-135.4 71.8 16.9 23.6 62.8 147 148 A E + 0 0 151 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.686 63.3 60.8-121.1 -36.9 18.1 24.6 66.3 148 149 A T S S- 0 0 79 -81,-0.1 -82,-0.4 -3,-0.1 -77,-0.2 -0.850 74.3-124.4-111.7 136.6 20.0 21.8 67.9 149 150 A L + 0 0 91 -2,-0.4 2,-0.1 -84,-0.1 -84,-0.0 -0.433 30.7 170.2 -75.1 146.3 23.2 20.1 66.6 150 151 A G - 0 0 0 -143,-0.1 -142,-3.2 -2,-0.1 -141,-0.6 -0.265 30.3 -95.8-122.7-142.4 23.5 16.4 66.0 151 152 A S E -aF 9 64A 1 -87,-1.8 -87,-2.4 -144,-0.2 2,-0.4 -0.960 15.1-147.5-143.4 161.2 26.2 14.4 64.3 152 153 A V E S+aF 10 63A 0 -143,-2.1 -141,-2.5 -2,-0.3 -89,-0.2 -1.000 80.4 7.7-131.7 133.4 27.2 12.9 61.0 153 154 A N S S+ 0 0 4 -91,-2.8 -90,-0.1 -2,-0.4 -1,-0.1 0.759 91.6 119.3 64.5 33.0 29.2 9.7 60.5 154 155 A L S S- 0 0 6 -92,-0.2 -1,-0.3 -145,-0.1 -3,-0.1 -0.850 77.8 -84.9-106.8 157.6 29.2 8.6 64.2 155 156 A P - 0 0 19 0, 0.0 -150,-0.5 0, 0.0 2,-0.3 -0.317 52.8-173.7 -61.3 145.9 27.6 5.3 65.1 156 157 A V E -L 163 0C 4 7,-2.2 7,-3.1 -152,-0.1 2,-0.6 -0.933 28.9-122.2-134.5 158.0 23.8 5.4 65.7 157 158 A I E +L 162 0C 80 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.938 37.6 173.5 -98.3 122.0 21.1 3.1 66.8 158 159 A C E > -L 161 0C 0 3,-2.7 3,-1.6 -2,-0.6 -69,-0.1 -0.994 67.4 -10.9-134.4 121.5 18.4 2.9 64.1 159 160 A G T 3 S- 0 0 4 -2,-0.4 -115,-2.2 1,-0.3 -1,-0.1 0.832 129.5 -55.5 57.4 33.3 15.5 0.5 64.3 160 161 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 -117,-0.2 -1,-0.3 0.518 118.1 105.3 79.4 6.2 17.1 -1.2 67.3 161 162 A Q E < S-L 158 0C 49 -3,-1.6 -3,-2.7 -120,-0.1 2,-0.4 -0.945 72.9-119.8-118.1 141.3 20.3 -2.0 65.5 162 163 A L E -L 157 0C 40 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.637 30.1-166.6 -70.6 130.2 23.7 -0.3 65.8 163 164 A I E -L 156 0C 0 -7,-3.1 -7,-2.2 -2,-0.4 17,-0.0 -0.987 2.7-162.1-121.8 118.2 24.8 1.1 62.5 164 165 A N > - 0 0 56 -2,-0.5 3,-2.2 -9,-0.2 -104,-0.2 -0.749 37.7 -94.3 -90.4 146.3 28.4 2.2 62.0 165 166 A P T 3 S+ 0 0 18 0, 0.0 -150,-0.2 0, 0.0 -104,-0.2 -0.374 115.0 27.0 -59.1 136.0 29.2 4.6 59.2 166 167 A G T 3 S+ 0 0 0 -106,-2.8 -149,-0.7 1,-0.4 -105,-0.1 0.307 88.6 129.6 89.8 -8.7 30.3 2.5 56.1 167 168 A D < - 0 0 4 -3,-2.2 -107,-3.3 -107,-0.2 2,-0.5 -0.356 65.3-109.9 -64.9 159.0 28.3 -0.5 57.2 168 169 A I E -DJ 59 179A 0 11,-2.8 11,-3.2 -109,-0.2 2,-0.5 -0.845 28.0-160.4 -98.2 128.3 26.1 -1.8 54.4 169 170 A V E -DJ 58 178A 2 -111,-2.7 -111,-1.8 -2,-0.5 2,-0.4 -0.934 3.1-164.6-108.4 130.5 22.4 -1.4 54.7 170 171 A V E -DJ 57 177A 0 7,-2.8 7,-2.6 -2,-0.5 2,-0.4 -0.961 12.7-179.1-114.4 131.9 20.2 -3.7 52.6 171 172 A A E +DJ 56 176A 1 -115,-2.7 -115,-2.6 -2,-0.4 2,-0.2 -0.996 12.5 140.7-140.2 137.3 16.5 -2.6 52.2 172 173 A D E > - J 0 175A 17 3,-2.5 3,-0.7 -2,-0.4 -117,-0.2 -0.820 66.6 -63.0-155.1-166.5 13.6 -4.1 50.4 173 174 A D T 3 S+ 0 0 56 1,-0.2 3,-0.1 -2,-0.2 -118,-0.1 0.734 128.4 52.6 -65.3 -19.6 9.8 -4.7 50.8 174 175 A D T 3 S- 0 0 118 1,-0.2 2,-0.3 -126,-0.1 -1,-0.2 0.718 119.8 -88.8 -87.7 -23.9 10.3 -6.9 53.8 175 176 A G E < - J 0 172A 4 -3,-0.7 -3,-2.5 -129,-0.1 2,-0.3 -0.992 47.9 -59.1 153.0-147.9 12.5 -4.5 55.8 176 177 A V E - J 0 171A 2 -2,-0.3 -133,-3.0 -133,-0.3 2,-0.4 -0.998 34.4-172.5-143.3 134.8 16.1 -3.4 56.4 177 178 A V E -BJ 42 170A 0 -7,-2.6 -7,-2.8 -2,-0.3 2,-0.4 -0.988 16.6-138.3-129.6 142.7 19.2 -5.3 57.5 178 179 A V E - J 0 169A 1 -137,-2.4 2,-0.5 -2,-0.4 -9,-0.2 -0.854 11.3-162.3-100.1 135.3 22.6 -4.0 58.4 179 180 A V E - J 0 168A 0 -11,-3.2 -11,-2.8 -2,-0.4 5,-0.1 -0.981 27.3-117.2-115.0 122.8 25.8 -5.9 57.3 180 181 A R >> - 0 0 55 -2,-0.5 3,-1.5 -13,-0.2 4,-0.5 -0.367 20.7-126.3 -60.3 136.9 29.0 -5.0 59.2 181 182 A R G >4 S+ 0 0 61 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.884 111.0 48.3 -53.5 -44.3 31.6 -3.5 56.8 182 183 A D G 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.623 113.1 48.7 -74.2 -13.7 34.2 -6.0 57.8 183 184 A E G <> S+ 0 0 63 -3,-1.5 4,-2.6 1,-0.1 5,-0.3 0.325 79.4 103.7-103.9 4.9 31.7 -8.9 57.4 184 185 A C H S+ 0 0 157 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.926 113.8 43.9 -60.4 -52.1 32.6 -10.5 52.1 186 187 A S H > S+ 0 0 72 -4,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.913 115.3 49.3 -64.3 -41.1 31.5 -13.4 54.2 187 188 A T H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.913 110.5 50.1 -65.7 -43.1 27.8 -12.3 54.2 188 189 A L H X S+ 0 0 33 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.942 113.0 45.9 -60.0 -48.0 27.8 -11.9 50.4 189 190 A V H X S+ 0 0 72 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.940 115.0 47.0 -61.4 -47.4 29.3 -15.4 49.9 190 191 A A H X S+ 0 0 26 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.876 112.4 50.2 -61.9 -38.2 26.9 -17.0 52.4 191 192 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.897 111.4 47.8 -69.1 -41.9 23.9 -15.2 50.9 192 193 A A H X S+ 0 0 49 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.889 110.2 53.0 -64.5 -40.2 24.8 -16.3 47.4 193 194 A E H X S+ 0 0 124 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.941 111.4 46.3 -58.6 -47.4 25.3 -19.9 48.6 194 195 A R H X S+ 0 0 79 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.904 111.0 52.7 -59.6 -45.1 21.8 -19.7 50.2 195 196 A A H X S+ 0 0 30 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.885 108.6 49.7 -59.9 -42.7 20.3 -18.2 47.0 196 197 A G H X S+ 0 0 49 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.931 113.1 46.3 -61.8 -47.5 21.8 -21.0 44.8 197 198 A L H X S+ 0 0 103 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.921 111.6 51.7 -61.0 -45.7 20.4 -23.7 47.1 198 199 A E H X S+ 0 0 61 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.859 105.7 55.2 -63.5 -34.5 17.0 -22.0 47.3 199 200 A E H X S+ 0 0 84 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.908 109.1 46.5 -67.3 -40.8 16.7 -21.8 43.5 200 201 A E H X S+ 0 0 100 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.933 114.6 48.1 -62.1 -46.0 17.3 -25.5 43.1 201 202 A K H X S+ 0 0 33 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.899 107.9 55.3 -60.5 -43.5 14.7 -26.2 45.8 202 203 A R H X S+ 0 0 128 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.907 107.3 49.9 -56.4 -44.1 12.2 -23.8 44.2 203 204 A L H X S+ 0 0 108 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.902 112.8 46.8 -63.2 -41.3 12.4 -25.8 41.0 204 205 A R H X>S+ 0 0 65 -4,-1.9 5,-2.2 2,-0.2 4,-0.6 0.914 113.7 47.9 -66.1 -43.8 11.9 -29.1 42.8 205 206 A L H ><5S+ 0 0 78 -4,-3.1 3,-0.9 1,-0.2 -2,-0.2 0.892 110.1 52.1 -64.3 -40.3 9.0 -27.6 44.8 206 207 A A H 3<5S+ 0 0 88 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.848 104.9 56.6 -63.9 -35.1 7.4 -26.2 41.6 207 208 A A H 3<5S- 0 0 83 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.643 127.0-103.2 -69.4 -17.6 7.7 -29.6 40.0 208 209 A G T <<5S+ 0 0 56 -3,-0.9 2,-0.2 -4,-0.6 -3,-0.2 0.476 70.6 146.5 107.5 5.4 5.6 -30.9 43.0 209 210 A E < - 0 0 87 -5,-2.2 -1,-0.3 1,-0.1 2,-0.3 -0.548 49.9-120.5 -67.8 136.9 8.3 -32.6 45.1 210 211 A L >> - 0 0 99 -2,-0.2 4,-2.7 1,-0.1 3,-1.0 -0.609 4.7-132.4 -83.7 141.6 7.3 -32.2 48.8 211 212 A G H 3> S+ 0 0 19 -2,-0.3 4,-3.2 1,-0.3 5,-0.3 0.846 106.8 66.4 -56.7 -36.7 9.7 -30.4 51.2 212 213 A L H 34>S+ 0 0 47 1,-0.2 5,-2.4 2,-0.2 6,-0.9 0.851 111.9 34.1 -51.5 -37.6 9.3 -33.3 53.6 213 214 A D H X45S+ 0 0 72 -3,-1.0 3,-0.6 3,-0.2 -2,-0.2 0.885 118.6 51.4 -84.7 -45.3 11.1 -35.5 51.0 214 215 A I H 3<5S+ 0 0 8 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.943 119.3 34.7 -56.5 -53.7 13.5 -32.8 49.7 215 216 A Y T 3<5S- 0 0 127 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.1 0.389 108.9-122.5 -86.3 2.2 14.7 -31.8 53.1 216 217 A K T < 5 + 0 0 142 -3,-0.6 4,-0.3 -5,-0.3 -3,-0.2 0.945 61.4 145.2 57.0 56.8 14.5 -35.4 54.5 217 218 A M >< + 0 0 86 -5,-2.4 4,-2.2 -6,-0.2 5,-0.2 0.660 40.3 84.0 -97.4 -21.9 12.2 -34.4 57.4 218 219 A R H > S+ 0 0 93 -6,-0.9 4,-2.0 1,-0.2 5,-0.1 0.825 90.7 47.2 -62.2 -39.0 9.9 -37.5 57.7 219 220 A E H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 113.9 47.7 -70.6 -41.4 12.1 -39.6 59.9 220 221 A R H > S+ 0 0 194 -4,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.836 110.7 52.4 -68.4 -34.9 12.9 -36.8 62.3 221 222 A L H X>S+ 0 0 58 -4,-2.2 5,-2.4 2,-0.2 4,-0.8 0.912 110.7 47.4 -65.1 -44.7 9.2 -35.8 62.6 222 223 A E H ><5S+ 0 0 137 -4,-2.0 3,-0.7 3,-0.2 -2,-0.2 0.907 110.2 52.8 -61.7 -43.3 8.3 -39.4 63.4 223 224 A A H 3<5S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.816 105.9 53.4 -63.4 -34.2 11.1 -39.5 66.1 224 225 A K H 3<5S- 0 0 178 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.673 128.9-101.3 -71.6 -21.1 9.7 -36.4 67.7 225 226 A G T <<5 + 0 0 34 -4,-0.8 2,-0.3 -3,-0.7 -3,-0.2 0.666 58.1 167.8 110.4 24.6 6.4 -38.2 67.8 226 227 A L < - 0 0 79 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.2 -0.530 17.6-164.1 -69.1 128.0 4.3 -36.8 65.0 227 228 A R - 0 0 195 -2,-0.3 2,-0.4 2,-0.0 -1,-0.0 -0.962 9.1-149.2-122.9 132.0 1.2 -39.0 64.6 228 229 A Y - 0 0 173 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.818 13.9-177.8 -98.4 137.3 -1.1 -39.3 61.6 229 230 A V - 0 0 71 -2,-0.4 3,-0.1 1,-0.1 6,-0.0 -0.968 25.6-138.7-127.5 150.0 -4.8 -40.1 61.9 230 231 A D S S+ 0 0 152 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.941 85.4 20.7 -71.4 -48.0 -7.3 -40.5 59.1 231 232 A N > - 0 0 93 1,-0.1 3,-1.6 0, 0.0 4,-0.4 -0.912 69.8-126.9-127.4 149.5 -10.2 -38.8 60.7 232 233 A I G > S+ 0 0 137 -2,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.771 109.1 67.7 -65.9 -24.2 -10.6 -36.3 63.5 233 234 A E G 3 S+ 0 0 155 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.677 83.5 73.5 -66.9 -19.7 -13.2 -38.6 65.1 234 235 A D G < 0 0 97 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 360.0 360.0 -63.5 -30.6 -10.3 -41.1 65.7 235 236 A L < 0 0 166 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.403 360.0 360.0 -82.9 360.0 -9.1 -38.8 68.5