==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-JAN-10 2X1R . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE, GLYCOSOMAL; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR M.SALIN,E.G.KAPETANIOU,M.VAISMAA,M.LAJUNEN,M.G.CASTELEIJN, . 470 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 0 5 4 3 0 3 1 0 0 3 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 4 6 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.1 11.6 9.3 20.3 2 3 A K - 0 0 69 1,-0.1 189,-0.1 212,-0.1 191,-0.1 -0.293 360.0-122.3 -68.0 144.2 12.7 7.2 17.3 3 4 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 188,-0.1 -0.149 59.7 -55.1 -67.3 177.1 11.2 3.8 16.5 4 5 A Q - 0 0 56 187,-0.1 26,-0.1 1,-0.1 211,-0.0 -0.386 65.7-127.6 -56.7 124.8 13.5 0.7 16.4 5 6 A P - 0 0 10 0, 0.0 26,-2.3 0, 0.0 2,-0.4 -0.216 17.8-145.3 -71.5 165.2 16.2 1.4 13.8 6 7 A I E -ab 31 216A 0 209,-2.0 211,-1.7 24,-0.2 2,-0.5 -0.998 11.0-166.0-132.6 136.8 17.1 -0.9 10.9 7 8 A A E -ab 32 217A 0 24,-2.2 26,-2.2 -2,-0.4 2,-0.4 -0.973 19.3-176.2-119.0 115.5 20.4 -1.6 9.3 8 9 A A E -ab 33 218A 0 209,-3.0 211,-2.7 -2,-0.5 2,-0.6 -0.933 16.0-155.8-121.4 134.2 20.0 -3.4 5.9 9 10 A A E -ab 34 219A 0 24,-2.8 26,-3.0 -2,-0.4 2,-0.6 -0.928 9.5-153.1-110.3 117.5 22.6 -4.8 3.6 10 11 A N E ab 35 220A 32 209,-3.4 211,-1.1 -2,-0.6 26,-0.1 -0.798 360.0 360.0 -90.2 121.1 21.7 -5.2 -0.1 11 12 A W 0 0 119 24,-2.2 209,-0.0 -2,-0.6 211,-0.0 -0.625 360.0 360.0 -78.9 360.0 23.6 -7.9 -1.8 12 ! 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 13 20 A S > 0 0 98 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 118.2 33.3 -13.8 -0.0 14 21 A L H > + 0 0 23 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.727 360.0 56.5 -75.0 -21.9 29.8 -14.3 1.3 15 22 A S H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.862 105.7 48.2 -78.7 -36.9 30.8 -17.0 3.7 16 23 A E H > S+ 0 0 136 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.807 110.9 52.3 -73.8 -30.3 33.4 -14.9 5.5 17 24 A L H X S+ 0 0 17 -4,-1.2 4,-2.5 2,-0.2 5,-0.2 0.942 109.2 48.4 -68.9 -47.8 30.9 -12.0 5.9 18 25 A I H X S+ 0 0 4 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.923 109.9 53.5 -57.9 -43.1 28.3 -14.3 7.4 19 26 A D H X S+ 0 0 75 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.909 109.6 48.7 -53.8 -45.3 31.1 -15.6 9.8 20 27 A L H < S+ 0 0 65 -4,-1.8 -2,-0.2 2,-0.2 4,-0.2 0.906 112.0 46.9 -66.4 -43.3 31.8 -12.0 10.8 21 28 A F H >< S+ 0 0 2 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.945 109.0 55.4 -62.6 -48.2 28.2 -11.1 11.4 22 29 A N H 3< S+ 0 0 25 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.794 110.0 46.2 -52.4 -34.2 27.6 -14.3 13.4 23 30 A S T 3< S+ 0 0 83 -4,-1.3 2,-0.6 -5,-0.2 -1,-0.3 0.364 91.2 106.0 -91.3 2.0 30.4 -13.4 15.8 24 31 A T < - 0 0 17 -3,-2.0 2,-0.5 -4,-0.2 -3,-0.0 -0.752 60.4-147.7 -92.5 121.6 29.3 -9.8 16.2 25 32 A S - 0 0 45 -2,-0.6 2,-0.6 266,-0.0 264,-0.1 -0.750 10.8-166.5 -84.9 129.3 27.7 -8.7 19.5 26 33 A I - 0 0 15 -2,-0.5 4,-0.1 264,-0.3 -2,-0.0 -0.930 7.4-178.7-121.4 107.3 25.1 -6.0 19.1 27 34 A N + 0 0 108 -2,-0.6 -1,-0.2 2,-0.1 3,-0.0 0.912 58.3 62.7 -76.6 -44.1 24.1 -4.5 22.4 28 35 A H S S- 0 0 30 1,-0.1 2,-0.6 285,-0.0 205,-0.0 -0.224 95.9 -86.9 -82.3 171.0 21.4 -1.9 21.4 29 36 A D + 0 0 41 2,-0.0 2,-0.3 203,-0.0 -1,-0.1 -0.687 65.5 135.4 -83.0 119.5 18.0 -2.5 19.8 30 37 A V - 0 0 2 -2,-0.6 2,-0.6 -26,-0.1 -24,-0.2 -0.909 49.1-129.0-161.9 132.0 18.2 -2.7 16.0 31 38 A Q E -a 6 0A 37 -26,-2.3 -24,-2.2 -2,-0.3 2,-0.4 -0.780 26.9-157.4 -82.4 122.4 16.7 -4.9 13.3 32 39 A C E -ac 7 53A 0 20,-2.8 22,-2.3 -2,-0.6 2,-0.4 -0.824 8.6-168.8-102.0 143.3 19.4 -6.2 10.9 33 40 A V E -ac 8 54A 0 -26,-2.2 -24,-2.8 -2,-0.4 2,-0.6 -0.993 15.0-162.9-134.6 131.8 18.5 -7.4 7.5 34 41 A V E -ac 9 55A 3 20,-2.5 22,-2.7 -2,-0.4 2,-0.6 -0.957 14.4-160.2-114.0 111.2 20.6 -9.2 4.8 35 42 A A E -ac 10 56A 0 -26,-3.0 -24,-2.2 -2,-0.6 2,-0.3 -0.825 15.8-176.4 -95.6 124.2 18.9 -8.9 1.4 36 43 A S - 0 0 2 20,-2.5 22,-0.2 -2,-0.6 2,-0.1 -0.869 28.0-111.4-122.4 150.4 20.1 -11.6 -0.9 37 44 A T >> - 0 0 47 -2,-0.3 3,-1.9 20,-0.1 4,-0.6 -0.426 43.4-101.3 -71.9 156.7 19.5 -12.4 -4.5 38 45 A F G >4 S+ 0 0 160 1,-0.3 3,-1.4 20,-0.2 4,-0.5 0.859 119.1 59.5 -46.6 -45.5 17.5 -15.5 -5.2 39 46 A V G 34 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.680 113.5 36.8 -63.9 -18.3 20.5 -17.6 -6.1 40 47 A H G <> S+ 0 0 49 -3,-1.9 4,-1.8 2,-0.1 -1,-0.3 0.321 89.1 97.8-116.8 5.8 22.1 -17.0 -2.7 41 48 A L H S+ 0 0 59 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.875 113.2 48.3 -56.5 -44.0 19.2 -20.7 0.8 43 50 A M H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 110.3 52.3 -63.8 -41.9 22.9 -20.6 1.7 44 51 A T H X S+ 0 0 2 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.934 111.2 45.8 -61.1 -46.1 22.4 -17.3 3.5 45 52 A K H < S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.833 112.7 52.0 -65.4 -33.7 19.6 -18.7 5.7 46 53 A E H < S+ 0 0 157 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.853 121.1 31.6 -67.9 -36.1 21.6 -21.8 6.3 47 54 A R H < S+ 0 0 82 -4,-2.0 2,-0.9 -5,-0.1 -2,-0.2 0.793 99.4 79.3 -98.0 -33.8 24.7 -19.9 7.5 48 55 A L < + 0 0 9 -4,-3.1 220,-0.1 -5,-0.2 -1,-0.1 -0.696 44.1 156.8 -88.6 105.8 23.4 -16.7 9.1 49 56 A S + 0 0 9 -2,-0.9 220,-0.6 -31,-0.2 -1,-0.2 0.414 24.9 125.0-110.3 -1.0 22.3 -17.6 12.7 50 57 A H > - 0 0 0 1,-0.2 3,-1.9 218,-0.1 218,-0.1 -0.463 55.9-144.6 -64.1 121.3 22.5 -14.2 14.5 51 58 A P T 3 S+ 0 0 6 0, 0.0 -1,-0.2 0, 0.0 219,-0.1 0.621 95.7 60.8 -72.7 -12.7 19.0 -13.7 15.9 52 59 A K T 3 S+ 0 0 23 238,-0.2 -20,-2.8 -21,-0.1 2,-0.4 0.498 96.4 80.2 -86.3 -6.2 19.0 -9.9 15.4 53 60 A F E < -c 32 0A 5 -3,-1.9 2,-0.3 -22,-0.2 -20,-0.2 -0.831 59.3-172.6 -98.4 139.7 19.4 -10.6 11.6 54 61 A V E -c 33 0A 37 -22,-2.3 -20,-2.5 -2,-0.4 2,-0.4 -0.937 23.3-121.0-122.5 155.2 16.6 -11.5 9.3 55 62 A I E -c 34 0A 21 -2,-0.3 21,-0.8 18,-0.2 20,-0.5 -0.754 25.5-161.3 -96.2 139.4 17.0 -12.6 5.6 56 63 A A E -cd 35 76A 0 -22,-2.7 -20,-2.5 -2,-0.4 21,-0.3 -0.951 8.0-145.1-121.3 139.1 15.3 -10.6 2.9 57 64 A A E - d 0 77A 3 19,-2.4 21,-2.3 -2,-0.4 2,-0.4 -0.393 21.2-133.5 -84.7 176.9 14.4 -11.6 -0.7 58 65 A Q E - d 0 78A 38 19,-0.2 -20,-0.2 -22,-0.2 21,-0.2 -0.997 62.6 -14.3-138.1 130.9 14.5 -9.1 -3.5 59 66 A N S S+ 0 0 24 19,-2.5 20,-0.1 -2,-0.4 18,-0.0 0.356 70.3 159.6 74.3 -3.6 12.2 -8.1 -6.3 60 67 A A + 0 0 18 18,-0.2 -1,-0.2 1,-0.1 42,-0.1 -0.322 4.3 163.3 -56.3 131.2 9.8 -11.2 -6.2 61 68 A G + 0 0 47 40,-0.1 2,-0.4 41,-0.0 -1,-0.1 0.339 39.0 99.8-133.7 0.3 6.6 -10.2 -8.0 62 69 A N > - 0 0 91 1,-0.1 4,-2.5 39,-0.0 5,-0.2 -0.756 68.4-135.7 -95.4 136.6 4.9 -13.5 -8.6 63 70 A A H > S+ 0 0 74 -2,-0.4 4,-2.2 1,-0.2 -1,-0.1 0.905 107.7 44.6 -56.8 -44.2 2.2 -14.8 -6.4 64 71 A D H > S+ 0 0 129 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.787 110.6 56.0 -70.2 -29.3 3.6 -18.4 -6.2 65 72 A A H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.935 108.7 45.6 -68.9 -47.2 7.1 -17.0 -5.7 66 80 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.958 112.4 52.2 -57.5 -50.8 6.0 -15.0 -2.6 67 81 A A H X S+ 0 0 44 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.908 110.5 47.7 -51.3 -48.2 4.2 -18.1 -1.3 68 82 A S H X S+ 0 0 66 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.867 109.4 53.1 -64.5 -38.6 7.2 -20.3 -1.8 69 83 A L H <>S+ 0 0 12 -4,-2.2 5,-2.8 2,-0.2 4,-0.3 0.919 110.2 47.7 -61.6 -45.0 9.5 -17.7 -0.0 70 84 A K H ><5S+ 0 0 47 -4,-2.5 3,-2.4 1,-0.2 -2,-0.2 0.967 109.5 53.8 -59.6 -51.7 7.1 -17.6 3.0 71 85 A D H 3<5S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.860 107.3 52.3 -45.2 -43.6 7.1 -21.4 3.1 72 86 A F T 3<5S- 0 0 104 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.471 126.9 -98.4 -79.1 -3.0 10.9 -21.4 3.2 73 87 A G T < 5S+ 0 0 13 -3,-2.4 2,-0.7 -4,-0.3 -18,-0.2 0.633 77.3 138.2 95.7 15.6 11.0 -19.0 6.1 74 88 A V < + 0 0 1 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.859 14.6 162.5 -97.2 117.3 11.6 -15.7 4.3 75 89 A N + 0 0 60 -2,-0.7 33,-2.8 -20,-0.5 2,-0.3 0.374 53.6 64.4-115.4 -0.4 9.5 -12.9 5.8 76 90 A W E +de 56 108A 20 -21,-0.8 -19,-2.4 31,-0.2 2,-0.3 -0.912 55.3 179.7-123.3 154.4 11.2 -9.7 4.5 77 91 A I E -de 57 109A 0 31,-1.7 33,-2.6 -2,-0.3 2,-0.4 -0.990 21.7-138.4-155.9 143.5 11.6 -8.4 1.0 78 92 A V E +de 58 110A 2 -21,-2.3 -19,-2.5 -2,-0.3 2,-0.3 -0.904 29.0 178.5-103.4 132.7 13.2 -5.4 -0.7 79 93 A L E + e 0 111A 0 31,-2.5 33,-2.6 -2,-0.4 16,-0.1 -0.974 52.2 21.1-136.2 145.6 11.2 -3.8 -3.6 80 94 A G + 0 0 0 -2,-0.3 5,-0.2 31,-0.2 -1,-0.1 0.595 69.8 173.4 81.3 13.5 11.7 -0.8 -5.9 81 95 A H >> - 0 0 16 3,-0.1 3,-1.7 1,-0.1 4,-0.9 -0.156 47.8 -94.6 -57.5 150.9 15.5 -0.5 -5.6 82 96 A S H >> S+ 0 0 14 1,-0.3 4,-2.2 2,-0.2 3,-1.4 0.781 121.2 48.7 -36.4 -59.8 17.0 2.1 -8.0 83 97 A E H 3>>S+ 0 0 43 1,-0.3 4,-2.4 2,-0.2 5,-2.0 0.794 101.0 66.4 -62.4 -27.3 18.1 -0.2 -10.9 84 98 A R H <45S+ 0 0 46 -3,-1.7 6,-2.9 3,-0.2 5,-0.3 0.874 112.6 34.0 -54.1 -39.4 14.6 -1.8 -10.9 85 99 A R H <<5S+ 0 0 43 -3,-1.4 4,-0.3 -4,-0.9 -2,-0.2 0.927 124.9 38.1 -84.9 -49.2 13.2 1.5 -12.0 86 100 A W H <5S+ 0 0 166 -4,-2.2 -3,-0.2 2,-0.1 -2,-0.2 0.720 133.7 17.3 -83.1 -21.0 16.0 3.0 -14.2 87 101 A Y T <5S+ 0 0 158 -4,-2.4 -3,-0.2 -5,-0.3 -4,-0.1 0.772 128.1 41.3-111.2 -58.3 17.2 -0.2 -15.9 88 102 A Y S - 0 0 67 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.212 30.0 -95.5 -77.8 172.9 7.2 1.9 -12.9 92 106 A N H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.885 128.6 47.3 -53.8 -40.4 5.8 3.6 -9.8 93 107 A E H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.876 108.7 52.0 -73.8 -39.5 2.7 1.4 -10.2 94 108 A I H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.934 113.1 45.9 -61.3 -45.2 4.6 -1.8 -10.8 95 109 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.936 112.7 50.9 -61.7 -44.3 6.6 -1.2 -7.6 96 110 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.862 110.0 49.0 -62.0 -39.5 3.4 -0.3 -5.7 97 111 A D H X S+ 0 0 80 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.870 110.2 51.7 -66.4 -39.4 1.6 -3.5 -6.9 98 112 A K H X S+ 0 0 40 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.891 110.3 49.4 -63.4 -40.1 4.7 -5.6 -5.9 99 113 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.912 110.9 48.0 -66.1 -43.6 4.6 -3.9 -2.4 100 114 A A H X S+ 0 0 26 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.932 112.5 49.8 -64.9 -43.4 0.8 -4.6 -1.9 101 115 A A H X S+ 0 0 40 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.917 110.7 49.1 -57.8 -49.6 1.2 -8.2 -3.0 102 116 A A H <>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 -1,-0.2 0.927 112.0 48.8 -56.9 -46.6 4.1 -8.8 -0.6 103 117 A V H ><5S+ 0 0 11 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.906 108.7 53.1 -62.5 -40.7 2.2 -7.2 2.3 104 118 A A H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 105.9 55.0 -63.5 -31.3 -0.9 -9.4 1.5 105 119 A S T 3<5S- 0 0 48 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.232 128.1 -98.4 -86.8 14.4 1.4 -12.5 1.6 106 120 A G T < 5S+ 0 0 13 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.806 73.5 146.7 77.8 31.9 2.6 -11.5 5.1 107 121 A F < - 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0 0 21 -3,-1.4 2,-0.3 -4,-0.2 -40,-0.0 -0.844 67.3-138.4-119.9 154.1 -2.3 0.0 0.8 141 155 A K >> - 0 0 134 -2,-0.3 3,-1.6 1,-0.1 4,-0.5 -0.695 40.3 -98.2-100.2 164.6 -4.7 0.5 3.7 142 156 A K G >4 S+ 0 0 111 1,-0.3 3,-1.8 -2,-0.3 4,-0.3 0.891 121.6 55.0 -46.9 -50.9 -3.7 2.2 6.9 143 157 A A G >4 S+ 0 0 74 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.716 93.5 72.8 -61.2 -21.2 -3.0 -1.0 8.8 144 158 A D G X4 S+ 0 0 22 -3,-1.6 3,-2.4 1,-0.2 -1,-0.3 0.799 78.4 75.5 -64.0 -28.2 -0.6 -2.1 6.1 145 159 A W G X< S+ 0 0 12 -3,-1.8 3,-1.4 -4,-0.5 -1,-0.2 0.719 78.5 71.3 -63.9 -22.9 2.1 0.5 7.2 146 160 A A G < S+ 0 0 61 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.784 103.3 45.5 -56.4 -26.3 3.0 -1.6 10.2 147 161 A K G < S+ 0 0 51 -3,-2.4 -38,-3.3 -4,-0.2 2,-0.3 0.426 101.7 89.4 -97.5 -1.9 4.6 -4.0 7.6 148 162 A V E < -f 109 0A 4 -3,-1.4 45,-0.5 -4,-0.2 2,-0.4 -0.770 46.4-177.7-109.6 144.0 6.3 -1.2 5.6 149 163 A V E -f 110 0A 0 -40,-2.8 -38,-3.1 -2,-0.3 2,-0.5 -0.993 20.4-139.6-132.2 136.5 9.7 0.4 5.8 150 164 A I E -fg 111 194A 0 43,-2.7 45,-3.2 -2,-0.4 2,-0.6 -0.876 9.7-163.2-103.2 130.4 10.8 3.2 3.5 151 165 A A E -fg 112 195A 0 -40,-3.0 -38,-2.5 -2,-0.5 2,-0.7 -0.929 5.6-160.4-109.8 111.5 14.3 3.4 2.0 152 166 A Y E +fg 113 196A 0 43,-3.0 45,-1.9 -2,-0.6 -38,-0.2 -0.819 18.7 168.4 -91.0 119.9 15.2 6.8 0.7 153 167 A E - 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0 0 2 34,-0.5 -1,-0.1 33,-0.1 44,-0.0 -0.455 39.8-113.5 -62.3 145.7 4.3 -31.9 30.7 404 179 B T > - 0 0 52 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.303 29.2-104.9 -70.1 165.9 4.4 -34.8 28.2 405 180 B P H > S+ 0 0 44 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.908 124.6 52.0 -60.7 -38.8 4.9 -33.9 24.5 406 181 B Q H > S+ 0 0 130 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.917 110.7 46.9 -61.2 -46.0 1.2 -34.7 24.0 407 182 B Q H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 114.3 46.1 -64.0 -45.4 0.1 -32.4 26.9 408 183 B A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.935 113.1 49.9 -62.8 -45.2 2.3 -29.5 25.8 409 184 B Q H X S+ 0 0 34 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.909 109.1 52.1 -61.6 -44.0 1.2 -29.8 22.1 410 185 B E H X S+ 0 0 114 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.909 113.1 43.9 -55.8 -46.4 -2.5 -29.8 23.1 411 186 B A H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.939 115.5 47.3 -68.5 -47.0 -2.1 -26.7 25.2 412 187 B H H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.882 112.6 49.8 -60.0 -41.1 -0.0 -24.9 22.6 413 188 B A H X S+ 0 0 33 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.898 109.5 51.7 -67.1 -41.3 -2.4 -25.9 19.8 414 189 B L H X S+ 0 0 41 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.921 110.9 48.7 -56.7 -47.8 -5.4 -24.7 21.8 415 190 B I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.947 113.3 44.4 -61.2 -51.9 -3.7 -21.3 22.3 416 191 B R H X S+ 0 0 28 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.864 109.5 56.0 -62.5 -41.1 -2.7 -20.8 18.7 417 192 B S H X S+ 0 0 76 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.903 109.6 47.5 -58.1 -40.4 -6.1 -21.8 17.4 418 193 B W H X S+ 0 0 53 -4,-1.7 4,-2.2 -5,-0.2 5,-0.3 0.883 111.8 49.1 -69.1 -38.9 -7.7 -19.2 19.6 419 194 B V H X>S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-1.8 0.914 108.8 54.8 -65.8 -41.8 -5.2 -16.5 18.5 420 195 B S H <5S+ 0 0 44 -4,-3.0 4,-0.3 3,-0.2 -2,-0.2 0.942 113.7 39.6 -55.8 -49.8 -5.9 -17.4 14.8 421 196 B S H <5S+ 0 0 98 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.875 125.8 33.3 -70.2 -41.9 -9.7 -16.9 15.2 422 197 B K H <5S+ 0 0 148 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.809 135.2 20.4 -88.3 -31.3 -9.7 -13.8 17.4 423 198 B I T <5S- 0 0 33 -4,-2.7 -3,-0.2 -5,-0.3 2,-0.2 0.821 117.0 -79.8-105.1 -45.6 -6.6 -12.0 16.1 424 199 B G >< - 0 0 15 -5,-1.8 4,-2.3 -4,-0.3 5,-0.2 -0.526 24.6-105.0 145.2 144.1 -5.8 -13.4 12.7 425 200 B A H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.835 118.4 56.1 -60.4 -36.2 -4.2 -16.4 10.9 426 201 B D H > S+ 0 0 64 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.953 109.3 44.4 -60.9 -52.4 -1.2 -14.3 10.1 427 202 B V H > S+ 0 0 17 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.932 112.1 53.7 -56.4 -47.4 -0.5 -13.4 13.7 428 203 B A H < S+ 0 0 4 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.893 107.4 50.6 -56.9 -42.7 -1.1 -17.0 14.9 429 204 B G H < S+ 0 0 47 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.812 114.9 41.8 -67.2 -31.6 1.4 -18.4 12.4 430 205 B E H < S+ 0 0 79 -4,-1.4 2,-0.2 -3,-0.4 -1,-0.2 0.597 90.2 111.8 -92.3 -12.5 4.2 -16.0 13.4 431 206 B L < - 0 0 7 -4,-1.4 2,-0.5 -3,-0.3 -43,-0.1 -0.433 61.7-139.1 -70.9 126.9 3.5 -16.2 17.2 432 207 B R - 0 0 30 -45,-0.5 -43,-2.3 -2,-0.2 2,-0.5 -0.752 17.9-173.1 -81.6 123.8 6.2 -17.9 19.4 433 208 B I E -o 389 0B 0 -2,-0.5 21,-2.7 -45,-0.2 22,-0.4 -0.969 10.4-163.3-116.9 112.4 4.6 -20.1 22.0 434 209 B L E -o 390 0B 0 -45,-2.8 -43,-2.6 -2,-0.5 2,-0.4 -0.717 10.8-136.0 -98.2 145.2 7.2 -21.4 24.5 435 210 B Y E +op 391 456B 0 20,-2.9 22,-1.9 -2,-0.3 2,-0.3 -0.806 26.3 175.8 -96.9 143.1 6.8 -24.3 26.8 436 211 B G E + p 0 457B 0 -45,-2.0 22,-0.2 -2,-0.4 -40,-0.1 -0.996 28.9 91.1-144.5 150.3 8.1 -24.1 30.4 437 212 B G S S- 0 0 4 20,-0.7 -34,-0.5 -2,-0.3 -40,-0.3 0.401 101.1 -13.3 128.1 93.1 8.0 -26.3 33.5 438 213 B S S S+ 0 0 28 1,-0.2 -36,-0.2 -36,-0.1 2,-0.2 0.789 82.0 168.1 63.3 30.7 10.7 -28.8 34.4 439 214 B V + 0 0 9 18,-0.3 2,-0.3 -38,-0.1 20,-0.2 -0.514 7.8 171.3 -69.0 141.7 12.3 -28.6 31.0 440 215 B N > - 0 0 49 -2,-0.2 4,-2.5 26,-0.1 5,-0.2 -0.935 50.2 -93.2-144.0 173.3 15.8 -30.3 30.8 441 216 B G T 4 S+ 0 0 30 -2,-0.3 4,-0.4 1,-0.2 -2,-0.0 0.782 122.8 51.2 -55.8 -28.8 18.5 -31.4 28.4 442 217 B K T 4 S+ 0 0 191 1,-0.1 4,-0.4 2,-0.1 3,-0.3 0.971 120.5 28.1 -72.0 -53.6 16.9 -34.8 28.3 443 218 B N T > S+ 0 0 33 1,-0.2 4,-1.8 -5,-0.1 -2,-0.2 0.618 100.4 81.3 -89.0 -14.9 13.3 -33.9 27.5 444 219 B A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.879 87.7 54.3 -62.8 -42.7 13.7 -30.6 25.6 445 220 B R H > S+ 0 0 105 -4,-0.4 4,-1.3 -3,-0.3 -1,-0.2 0.939 110.3 45.7 -60.0 -48.1 14.5 -32.0 22.2 446 221 B T H 4 S+ 0 0 80 -4,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.866 112.7 51.9 -65.4 -36.8 11.4 -34.2 22.0 447 222 B L H >< S+ 0 0 3 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.937 105.4 55.0 -61.9 -45.4 9.3 -31.3 23.2 448 223 B Y H 3< S+ 0 0 15 -4,-2.8 5,-0.2 1,-0.3 -1,-0.2 0.823 94.7 68.8 -62.7 -27.0 10.6 -29.0 20.5 449 224 B Q T 3< S+ 0 0 101 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.681 76.1 106.6 -65.6 -16.9 9.6 -31.5 17.8 450 225 B Q S X S- 0 0 54 -3,-1.9 3,-1.6 -4,-0.4 -44,-0.0 -0.402 81.1-120.4 -65.9 140.5 5.9 -30.8 18.5 451 226 B R T 3 S+ 0 0 205 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.791 107.2 37.5 -48.0 -41.5 4.3 -28.7 15.8 452 227 B D T 3 S+ 0 0 23 -216,-0.1 2,-0.6 -20,-0.0 -1,-0.3 0.259 88.6 103.8-106.5 14.0 3.2 -25.8 18.1 453 228 B V < + 0 0 0 -3,-1.6 -19,-0.2 -5,-0.2 3,-0.1 -0.857 38.2 175.4 -97.4 123.2 6.2 -25.6 20.4 454 229 B N - 0 0 2 -21,-2.7 -214,-1.8 -2,-0.6 2,-0.3 0.169 58.3 -57.1-114.9 15.8 8.5 -22.6 19.6 455 230 B G E -j 240 0B 0 -22,-0.4 -20,-2.9 -216,-0.2 2,-0.3 -0.940 61.2 -74.5 140.1-161.6 11.0 -22.9 22.4 456 231 B F E -jp 241 435B 0 -216,-1.7 -214,-2.9 -2,-0.3 2,-0.4 -0.950 5.2-150.3-143.2 150.4 11.4 -22.9 26.2 457 232 B L E +jp 242 436B 1 -22,-1.9 -20,-0.7 -2,-0.3 -18,-0.3 -0.993 40.5 157.8-115.4 126.9 11.3 -21.0 29.4 458 233 B A E -j 243 0B 13 -216,-2.7 -214,-2.8 -2,-0.4 -18,-0.1 -0.894 42.9 -79.9-143.9 170.9 13.6 -22.6 32.0 459 234 B G E -j 244 0B 28 -2,-0.3 2,-1.3 -216,-0.2 -214,-0.2 -0.314 50.2-101.9 -72.3 159.5 15.5 -21.9 35.1 460 238 B L S S+ 0 0 9 -216,-0.8 -209,-0.2 -217,-0.1 -214,-0.1 -0.707 76.5 117.4 -86.9 94.6 18.9 -20.2 35.0 461 239 B K S > S- 0 0 87 -2,-1.3 3,-1.8 -205,-0.1 4,-0.3 -0.892 78.5 -85.5-153.0 173.2 21.2 -23.1 35.4 462 240 B P T > S+ 0 0 61 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.811 118.3 62.2 -62.7 -33.1 24.0 -25.0 33.6 463 241 B E T >> S+ 0 0 67 1,-0.3 4,-1.8 2,-0.2 3,-1.0 0.598 77.0 89.9 -71.2 -7.7 21.7 -27.3 31.6 464 242 B F H <> S+ 0 0 0 -3,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.863 79.8 64.3 -52.6 -31.6 20.2 -24.3 29.9 465 243 B V H <> S+ 0 0 23 -3,-1.5 4,-1.7 -4,-0.3 -1,-0.2 0.881 102.1 46.1 -58.0 -40.3 23.0 -24.9 27.4 466 244 B D H <> S+ 0 0 76 -3,-1.0 4,-1.1 -4,-0.3 -1,-0.2 0.846 108.9 56.0 -73.4 -33.0 21.4 -28.3 26.4 467 245 B I H >X S+ 0 0 2 -4,-1.8 3,-0.5 2,-0.2 4,-0.5 0.927 105.9 50.8 -63.4 -44.7 18.0 -26.6 26.2 468 246 B I H >< S+ 0 0 4 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.933 107.8 53.0 -55.2 -48.4 19.3 -24.1 23.7 469 247 B K H 3< S+ 0 0 98 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.769 101.0 63.3 -59.3 -25.4 20.7 -27.0 21.6 470 248 B A H << S+ 0 0 2 -4,-1.1 2,-2.3 -3,-0.5 -1,-0.3 0.665 74.2 94.8 -75.6 -14.6 17.3 -28.6 21.7 471 249 B T << 0 0 2 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.1 -0.211 360.0 360.0 -78.7 53.6 15.6 -25.7 19.7 472 250 B Q 0 0 114 -2,-2.3 -24,-0.1 -3,-0.1 -23,-0.1 -0.978 360.0 360.0-165.0 360.0 16.0 -27.4 16.3