==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 05-JUN-07 2V2C . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE GLYCOSOMAL; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR M.ALAHUHTA,M.G.CASTELEIJN,P.NEUBAUER,R.K.WIERENGA . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 15.7 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 . 25 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 0 2 4 1 0 0 0 0 0 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 3 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 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 1 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 0 175 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.9 37.4 7.3 8.8 2 3 A K - 0 0 68 1,-0.1 202,-0.1 225,-0.1 204,-0.1 -0.363 360.0-110.0 -59.9 149.7 33.7 7.6 9.8 3 4 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 202,-0.1 -0.164 59.6 -58.4 -68.5 179.0 31.5 4.7 8.6 4 5 A Q - 0 0 63 200,-0.1 32,-0.1 1,-0.1 224,-0.0 -0.370 64.3-125.0 -60.5 128.4 28.8 5.5 5.9 5 6 A P - 0 0 10 0, 0.0 32,-2.9 0, 0.0 2,-0.4 -0.271 18.2-146.2 -73.9 162.9 26.5 8.2 7.1 6 7 A I E -ab 37 229A 0 222,-2.0 224,-2.0 30,-0.2 2,-0.5 -0.998 12.2-168.5-128.6 135.9 22.7 7.9 7.3 7 8 A A E -ab 38 230A 0 30,-2.0 32,-2.3 -2,-0.4 2,-0.5 -0.957 21.0-172.4-119.3 104.8 20.0 10.6 6.8 8 9 A A E -ab 39 231A 1 222,-2.9 224,-3.0 -2,-0.5 2,-0.7 -0.899 15.9-151.5-109.8 127.7 16.7 9.1 7.9 9 10 A A E -ab 40 232A 0 30,-3.5 32,-3.2 -2,-0.5 2,-0.9 -0.855 6.4-166.2 -94.9 110.9 13.3 10.7 7.4 10 11 A N E -a 41 0A 7 222,-3.4 226,-0.2 -2,-0.7 32,-0.1 -0.839 6.7-178.6 -93.9 95.9 10.8 9.7 10.2 11 12 A W - 0 0 0 30,-2.0 -1,-0.1 -2,-0.9 31,-0.1 0.627 19.9-167.3 -69.4 -11.8 7.6 10.9 8.7 12 13 A K - 0 0 38 29,-0.4 2,-1.6 1,-0.2 -1,-0.2 -0.182 59.5 -22.4 52.9-144.5 5.7 9.7 11.8 13 14 A C S S+ 0 0 114 -3,-0.1 2,-0.3 29,-0.1 -1,-0.2 -0.575 112.7 106.1 -94.6 74.5 1.9 9.5 11.5 14 15 A N + 0 0 77 -2,-1.6 29,-0.4 2,-0.0 -3,-0.0 -0.984 32.8 66.5-151.3 155.6 1.7 12.1 8.6 15 16 A G - 0 0 35 -2,-0.3 2,-0.3 27,-0.1 3,-0.1 0.044 44.5-127.6 112.6 145.1 1.1 12.7 4.9 16 17 A S > - 0 0 59 1,-0.1 4,-2.7 -2,-0.0 5,-0.4 -0.765 39.6-106.1-111.3 163.6 -1.5 12.6 2.2 17 18 A Q H > S+ 0 0 145 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.942 123.5 47.5 -54.9 -42.7 -0.8 10.7 -1.1 18 19 A Q H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 112.9 44.9 -63.9 -48.1 -0.5 14.1 -2.7 19 20 A S H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.886 116.1 45.8 -72.9 -33.6 1.9 15.7 -0.1 20 21 A L H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.907 110.1 54.6 -75.1 -34.6 4.2 12.6 0.1 21 22 A S H X S+ 0 0 15 -4,-2.2 4,-2.5 -5,-0.4 -2,-0.2 0.912 107.9 50.6 -59.5 -43.0 4.2 12.3 -3.7 22 23 A E H X S+ 0 0 111 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.896 113.2 45.2 -63.3 -41.3 5.4 16.0 -3.9 23 24 A L H X S+ 0 0 14 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.911 111.5 51.2 -67.3 -46.2 8.2 15.3 -1.4 24 25 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 31,-0.2 0.897 107.5 54.4 -56.4 -43.1 9.2 12.1 -3.1 25 26 A D H X S+ 0 0 59 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.937 108.4 49.7 -58.4 -46.9 9.5 13.9 -6.5 26 27 A L H X S+ 0 0 63 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.935 111.5 48.0 -51.7 -49.6 11.8 16.5 -4.8 27 28 A F H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.930 109.7 52.6 -61.7 -42.2 14.0 13.6 -3.4 28 29 A N H 3< S+ 0 0 46 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.807 111.2 48.0 -61.9 -31.4 14.1 11.9 -6.8 29 30 A S H 3< S+ 0 0 103 -4,-1.7 2,-0.3 -3,-0.2 -1,-0.3 0.427 89.7 109.9 -84.8 -6.0 15.3 15.2 -8.3 30 31 A T << - 0 0 26 -3,-1.3 2,-0.6 -4,-0.5 -3,-0.0 -0.600 64.6-136.3 -85.2 130.2 18.0 15.8 -5.7 31 32 A S - 0 0 79 -2,-0.3 2,-0.6 2,-0.0 -2,-0.1 -0.767 21.8-175.2 -84.0 119.1 21.7 15.5 -6.6 32 33 A I + 0 0 16 -2,-0.6 4,-0.1 1,-0.1 -2,-0.0 -0.936 4.7 179.0-121.3 103.8 23.5 13.6 -3.8 33 34 A N + 0 0 131 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 -0.057 55.9 56.6-103.9 28.9 27.3 13.5 -4.5 34 35 A H S S- 0 0 35 2,-0.1 2,-0.8 215,-0.0 214,-0.0 -0.954 94.9 -84.3-146.1 169.6 28.6 11.6 -1.6 35 36 A D + 0 0 100 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.633 64.9 140.3 -78.0 110.6 28.1 8.2 -0.0 36 37 A V - 0 0 1 -2,-0.8 2,-0.8 -32,-0.1 -30,-0.2 -0.976 48.5-131.1-149.9 135.9 25.1 8.4 2.4 37 38 A Q E -a 6 0A 33 -32,-2.9 -30,-2.0 -2,-0.3 2,-0.4 -0.790 25.6-159.9 -86.5 113.3 22.3 6.0 3.0 38 39 A C E -ac 7 59A 0 20,-2.9 22,-2.2 -2,-0.8 2,-0.4 -0.769 7.6-167.4 -92.6 141.3 19.0 7.9 2.8 39 40 A V E -ac 8 60A 0 -32,-2.3 -30,-3.5 -2,-0.4 2,-0.6 -0.989 13.1-163.1-130.4 133.5 16.0 6.3 4.5 40 41 A V E -ac 9 61A 0 20,-2.5 22,-2.4 -2,-0.4 2,-0.8 -0.960 5.1-167.6-117.0 115.0 12.3 7.2 4.3 41 42 A A E +ac 10 62A 1 -32,-3.2 -30,-2.0 -2,-0.6 -29,-0.4 -0.864 18.5 176.4-100.5 100.9 10.2 5.7 7.1 42 43 A S - 0 0 1 20,-1.1 22,-0.4 -2,-0.8 -30,-0.1 -0.491 39.4 -85.6 -98.2 165.9 6.5 6.2 6.0 43 44 A T > - 0 0 23 -29,-0.4 3,-0.7 -2,-0.2 4,-0.5 -0.323 47.1-105.4 -59.8 160.3 3.4 5.0 7.7 44 45 A F G > S+ 0 0 76 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.860 120.6 59.3 -56.9 -40.4 2.4 1.5 6.8 45 46 A V G 3 S+ 0 0 124 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.865 107.1 47.2 -57.4 -36.4 -0.4 2.7 4.6 46 47 A H G <> S+ 0 0 21 -3,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.436 83.0 93.9 -89.9 -1.2 2.1 4.7 2.4 47 48 A L H <> S+ 0 0 5 -3,-1.2 4,-3.0 -4,-0.5 5,-0.2 0.919 83.8 52.1 -60.1 -43.8 4.7 1.9 1.9 48 49 A A H > S+ 0 0 54 -4,-0.4 4,-2.1 -3,-0.4 -1,-0.2 0.937 114.5 41.6 -56.2 -51.1 3.2 0.7 -1.4 49 50 A M H > S+ 0 0 35 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.888 115.1 50.7 -70.1 -34.0 3.2 4.2 -3.0 50 51 A T H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.949 110.9 48.8 -70.3 -43.7 6.6 5.1 -1.5 51 52 A K H < S+ 0 0 93 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.884 116.7 43.6 -56.5 -43.4 8.2 1.8 -2.9 52 53 A E H < S+ 0 0 163 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.913 123.3 33.8 -72.0 -40.6 6.6 2.5 -6.3 53 54 A R H < S+ 0 0 96 -4,-2.7 2,-0.4 -5,-0.2 -2,-0.2 0.805 96.8 81.1 -92.2 -32.8 7.5 6.3 -6.5 54 55 A L < + 0 0 20 -4,-2.9 -29,-0.1 -5,-0.2 7,-0.1 -0.633 45.3 155.4 -75.3 124.7 10.8 6.7 -4.8 55 56 A S + 0 0 91 -2,-0.4 -1,-0.2 -31,-0.2 -4,-0.0 0.482 24.4 121.3-130.1 -3.7 13.4 5.7 -7.3 56 57 A H > - 0 0 30 1,-0.2 3,-2.1 2,-0.1 -28,-0.1 -0.420 59.5-141.4 -62.2 120.4 16.5 7.5 -6.1 57 58 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -29,-0.0 0.659 96.6 64.2 -67.1 -14.5 19.1 4.6 -5.5 58 59 A K T 3 S+ 0 0 63 -21,-0.1 -20,-2.9 2,-0.0 2,-0.4 0.572 93.9 80.7 -82.7 -1.4 20.6 6.2 -2.5 59 60 A F E < -c 38 0A 18 -3,-2.1 2,-0.3 -22,-0.2 -20,-0.2 -0.820 55.0-177.1-103.3 141.3 17.2 5.9 -0.7 60 61 A V E -c 39 0A 40 -22,-2.2 -20,-2.5 -2,-0.4 2,-0.3 -0.912 25.2-122.4-122.7 157.8 15.7 2.8 1.0 61 62 A I E -c 40 0A 23 -2,-0.3 28,-0.7 -22,-0.2 27,-0.6 -0.761 28.2-171.5-103.2 148.6 12.3 2.6 2.5 62 63 A A E -cd 41 89A 0 -22,-2.4 -20,-1.1 -2,-0.3 28,-0.3 -0.952 21.5-124.9-132.7 153.7 11.6 1.7 6.2 63 64 A A E - d 0 90A 0 26,-2.0 28,-2.5 -2,-0.3 -20,-0.1 -0.615 16.6-138.5 -89.1 159.0 8.7 0.8 8.5 64 65 A Q S S- 0 0 41 -22,-0.4 30,-0.3 1,-0.2 2,-0.3 0.421 78.7 -12.2 -95.7 -5.2 8.2 2.9 11.7 65 66 A N + 0 0 7 27,-0.1 2,-0.3 28,-0.1 -1,-0.2 -0.939 59.4 177.6-177.3 165.4 7.3 -0.2 13.9 66 67 A A - 0 0 0 -2,-0.3 2,-0.3 -3,-0.1 12,-0.3 -0.935 26.4-121.3-164.1 169.7 6.4 -3.9 13.7 67 68 A I B -i 78 0B 31 10,-2.1 12,-2.0 -2,-0.3 -2,-0.0 -0.788 34.3-113.0-110.6 164.8 5.6 -6.8 16.0 68 69 A A S S+ 0 0 45 -2,-0.3 2,-0.4 10,-0.2 10,-0.1 0.868 87.1 25.3 -68.0 -39.9 7.7 -10.0 15.8 69 70 A K S S- 0 0 154 10,-0.1 -1,-0.1 9,-0.1 -2,-0.0 -0.939 73.6-112.8-131.6 149.2 5.2 -12.5 14.4 70 71 A S + 0 0 64 -2,-0.4 2,-0.3 8,-0.1 7,-0.1 -0.311 64.4 87.4 -66.3 157.1 2.1 -12.8 12.4 71 72 A G S S- 0 0 62 2,-0.1 2,-2.0 7,-0.0 7,-0.1 -0.987 83.9 -9.5 148.4-151.3 -1.1 -13.9 14.1 72 73 A A S S+ 0 0 99 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.508 81.1 122.7 -87.1 75.2 -4.1 -12.7 16.1 73 74 A F > - 0 0 110 -2,-2.0 3,-2.3 3,-0.1 -1,-0.1 -0.649 52.1-151.5-136.9 68.5 -2.9 -9.1 16.7 74 75 A T T 3 S+ 0 0 151 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.169 78.6 14.4 -52.9 129.3 -5.6 -6.9 15.3 75 76 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.086 104.8 107.6 97.2 -19.7 -4.3 -3.6 14.0 76 77 A E < - 0 0 88 -3,-2.3 2,-0.4 -10,-0.0 -1,-0.3 -0.503 57.7-141.6 -96.6 161.2 -0.6 -4.6 14.1 77 78 A V - 0 0 29 -2,-0.2 -10,-2.1 -3,-0.1 2,-0.2 -0.967 18.8-146.7-121.5 131.5 1.9 -5.3 11.3 78 79 A S B > -i 67 0B 2 -2,-0.4 4,-1.9 -12,-0.3 -10,-0.2 -0.554 23.7-113.3 -98.5 162.7 4.5 -8.1 11.7 79 80 A L H > S+ 0 0 4 -12,-2.0 4,-2.9 1,-0.2 5,-0.2 0.908 115.6 53.9 -59.2 -42.8 8.1 -8.5 10.4 80 81 A P H > S+ 0 0 61 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.892 107.9 51.4 -61.5 -34.2 7.2 -11.4 8.1 81 82 A I H > S+ 0 0 93 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.916 113.2 44.0 -65.6 -42.9 4.5 -9.2 6.5 82 83 A L H <>S+ 0 0 2 -4,-1.9 5,-2.7 2,-0.2 -1,-0.2 0.894 113.7 51.2 -65.8 -41.6 7.0 -6.3 5.9 83 84 A K H ><5S+ 0 0 120 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.942 109.9 48.9 -62.2 -46.2 9.7 -8.8 4.7 84 85 A D H 3<5S+ 0 0 144 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.862 108.6 56.1 -60.0 -33.0 7.2 -10.3 2.2 85 86 A F T 3<5S- 0 0 76 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.422 119.4-111.1 -82.2 2.3 6.4 -6.7 1.1 86 87 A G T < 5S+ 0 0 58 -3,-1.8 2,-0.6 1,-0.3 -3,-0.2 0.734 71.4 138.8 76.4 21.8 10.1 -6.0 0.3 87 88 A V < + 0 0 2 -5,-2.7 -1,-0.3 1,-0.1 -2,-0.1 -0.903 19.4 169.1 -99.3 122.4 10.6 -3.5 3.2 88 89 A N + 0 0 74 -2,-0.6 33,-3.0 -27,-0.6 2,-0.3 0.329 52.6 68.1-120.2 2.7 14.1 -4.3 4.7 89 90 A W E +de 62 121A 15 -28,-0.7 -26,-2.0 31,-0.2 2,-0.3 -0.942 58.0 179.3-120.7 148.6 14.7 -1.3 7.0 90 91 A I E -de 63 122A 0 31,-1.9 33,-3.2 -2,-0.3 2,-0.5 -0.994 25.8-140.0-150.2 142.4 12.8 -0.6 10.2 91 92 A V E - e 0 123A 2 -28,-2.5 2,-0.3 -2,-0.3 33,-0.2 -0.895 32.1-176.6 -94.7 130.4 12.8 2.0 13.0 92 93 A L E + e 0 124A 1 31,-2.5 33,-2.7 -2,-0.5 -27,-0.1 -0.965 53.7 15.5-135.0 146.0 12.2 0.3 16.5 93 94 A G S S+ 0 0 0 -2,-0.3 -1,-0.1 31,-0.2 5,-0.1 0.710 72.6 179.8 67.6 27.5 11.8 1.6 20.0 94 95 A H >> - 0 0 8 -30,-0.3 4,-2.0 1,-0.1 3,-1.3 -0.271 41.5-110.8 -53.9 146.1 11.2 5.2 19.1 95 96 A S H 3> S+ 0 0 17 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.795 117.5 57.6 -46.3 -43.5 10.6 7.5 22.1 96 97 A E H 3> S+ 0 0 50 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.875 108.9 45.8 -62.4 -34.8 6.9 7.9 21.2 97 98 A R H <> S+ 0 0 54 -3,-1.3 6,-1.8 2,-0.2 4,-1.6 0.860 112.9 49.0 -75.1 -38.8 6.4 4.1 21.3 98 99 A R H < S+ 0 0 45 -4,-2.0 4,-0.2 4,-0.2 -2,-0.2 0.875 121.2 37.7 -63.2 -38.8 8.3 3.8 24.6 99 100 A A H < S+ 0 0 69 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.888 132.4 19.5 -81.7 -44.7 6.2 6.6 26.0 100 101 A Y H < S+ 0 0 156 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.680 123.4 45.1 -99.8 -25.1 2.7 6.0 24.6 101 102 A Y S < S- 0 0 139 -4,-1.6 -3,-0.1 -5,-0.4 -1,-0.1 0.032 105.9-102.8-126.2 25.9 2.5 2.4 23.4 102 103 A G + 0 0 52 -4,-0.2 2,-1.0 1,-0.2 -4,-0.2 0.600 59.7 157.7 71.5 19.4 4.0 0.4 26.3 103 104 A E - 0 0 9 -6,-1.8 -1,-0.2 -9,-0.1 -2,-0.1 -0.649 18.2-172.5 -86.6 101.2 7.5 -0.4 24.8 104 105 A T > - 0 0 69 -2,-1.0 4,-2.6 1,-0.1 5,-0.3 -0.285 43.5 -94.4 -72.6 169.0 9.9 -1.2 27.7 105 106 A N H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.869 128.4 47.2 -48.9 -41.0 13.7 -1.7 27.2 106 107 A E H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.854 109.4 51.2 -76.9 -38.3 13.1 -5.4 27.0 107 108 A I H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.940 112.8 47.0 -62.2 -46.7 10.2 -5.2 24.5 108 109 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.934 111.5 52.0 -56.3 -48.8 12.3 -2.9 22.2 109 110 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.879 109.6 48.6 -56.8 -44.2 15.2 -5.4 22.6 110 111 A D H X S+ 0 0 83 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.899 111.8 49.0 -66.2 -39.8 13.1 -8.3 21.6 111 112 A K H X S+ 0 0 24 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.935 111.6 50.1 -63.7 -45.5 11.7 -6.5 18.5 112 113 A V H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.935 111.8 47.8 -55.6 -46.8 15.2 -5.5 17.5 113 114 A A H X S+ 0 0 23 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.911 111.8 48.8 -65.0 -43.1 16.5 -9.1 17.8 114 115 A A H X S+ 0 0 26 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.881 112.9 49.4 -62.9 -37.8 13.5 -10.5 15.8 115 116 A A H X>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.8 0.950 111.3 46.7 -71.6 -44.4 14.1 -7.9 13.1 116 117 A V H ><5S+ 0 0 11 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.939 112.6 51.3 -59.4 -43.9 17.8 -8.6 12.8 117 118 A A H 3<5S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.878 107.3 54.0 -61.2 -37.8 17.0 -12.4 12.7 118 119 A S H 3<5S- 0 0 22 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.612 125.9-102.3 -68.5 -15.5 14.5 -11.7 9.9 119 120 A G T <<5S+ 0 0 23 -3,-1.3 -3,-0.2 -4,-0.8 -2,-0.1 0.485 71.5 144.9 105.4 7.3 17.2 -9.9 7.8 120 121 A F < - 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0 0 11 -40,-3.1 45,-0.2 -2,-0.7 5,-0.1 -0.858 31.8-140.8-133.7 101.9 17.3 11.0 20.6 167 168 A P >> - 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.380 19.6-134.9 -56.6 131.0 17.0 12.8 23.9 168 169 A V G >4 S+ 0 0 48 -40,-2.3 3,-1.7 1,-0.3 -39,-0.2 0.920 104.0 55.8 -57.9 -41.9 13.2 12.7 24.6 169 170 A W G 34 S+ 0 0 45 -41,-0.7 -1,-0.3 1,-0.3 6,-0.2 0.563 103.4 55.7 -70.0 -11.2 13.2 16.4 25.5 170 171 A A G <4 S+ 0 0 0 -3,-1.8 2,-0.6 40,-0.1 3,-0.5 0.503 82.3 105.1 -92.3 -11.4 14.7 17.4 22.2 171 172 A I S << S- 0 0 24 -3,-1.7 5,-0.0 -4,-0.6 -5,-0.0 -0.628 104.0 -22.8 -81.8 116.0 12.0 15.7 20.1 172 173 A G S S+ 0 0 76 -2,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.506 114.2 100.6 75.4 3.3 9.6 18.2 18.5 173 174 A T S S- 0 0 72 -3,-0.5 -2,-0.1 2,-0.1 -1,-0.1 0.538 90.7-120.5-100.8 -9.9 10.4 20.8 21.1 174 175 A G S S+ 0 0 63 -4,-0.4 2,-0.9 1,-0.2 -4,-0.1 0.576 77.4 124.9 71.1 9.6 12.8 23.0 19.1 175 176 A K - 0 0 131 -6,-0.2 2,-0.2 -5,-0.2 -1,-0.2 -0.749 41.0-176.2 -98.1 86.7 15.5 22.2 21.8 176 177 A V - 0 0 51 -2,-0.9 36,-0.1 36,-0.2 2,-0.1 -0.531 29.5-109.9 -79.7 146.0 18.4 20.7 19.8 177 178 A L - 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0 0 12 -5,-2.1 4,-2.7 1,-0.1 -3,-0.2 -0.822 25.5-120.4 174.6 148.2 34.1 -5.1 20.4 199 200 A A H > S+ 0 0 70 -2,-0.2 4,-2.3 2,-0.2 5,-0.1 0.866 114.7 52.7 -65.1 -39.2 36.4 -2.3 19.1 200 201 A D H > S+ 0 0 104 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.941 110.8 47.0 -61.2 -48.3 35.7 -3.3 15.5 201 202 A V H > S+ 0 0 18 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.926 110.7 53.4 -56.8 -49.5 31.9 -3.2 16.0 202 203 A A H < S+ 0 0 5 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.902 108.8 48.3 -54.2 -44.8 32.3 0.2 17.8 203 204 A G H < S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.820 116.0 43.1 -68.6 -29.7 34.2 1.8 14.9 204 205 A E H < S+ 0 0 138 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.641 88.6 109.6 -89.3 -18.4 31.7 0.5 12.3 205 206 A L < - 0 0 6 -4,-1.6 2,-0.6 -3,-0.2 -43,-0.1 -0.411 63.5-139.6 -65.3 126.4 28.5 1.4 14.2 206 207 A R - 0 0 29 -45,-0.5 -43,-2.6 -2,-0.2 2,-0.5 -0.801 17.5-170.5 -81.5 123.6 26.4 4.3 12.9 207 208 A I E -g 163 0A 0 -2,-0.6 21,-2.9 19,-0.2 22,-0.3 -0.969 9.3-164.6-111.9 113.2 25.2 6.4 15.8 208 209 A L E -g 164 0A 0 -45,-3.3 -43,-3.1 -2,-0.5 2,-0.4 -0.693 11.7-135.5 -97.8 149.2 22.7 9.0 14.5 209 210 A Y E +gh 165 230A 0 20,-2.6 22,-1.6 -2,-0.3 2,-0.3 -0.866 25.4 176.2-100.2 137.8 21.5 12.0 16.4 210 211 A G E + h 0 231A 0 -45,-2.4 22,-0.2 -2,-0.4 -40,-0.1 -0.988 31.6 94.0-136.1 150.8 17.7 13.0 16.5 211 212 A G S S- 0 0 5 20,-0.5 -34,-0.5 -2,-0.3 -40,-0.2 0.388 102.7 -14.8 133.3 92.7 15.7 15.7 18.2 212 213 A S S S+ 0 0 29 1,-0.2 2,-0.2 -36,-0.1 -36,-0.2 0.713 81.1 166.5 65.9 29.4 15.0 19.0 16.4 213 214 A V + 0 0 7 18,-0.3 22,-0.4 4,-0.1 2,-0.3 -0.525 9.8 168.9 -66.8 134.8 17.5 18.4 13.6 214 215 A N > - 0 0 52 -2,-0.2 4,-1.7 20,-0.1 3,-0.3 -0.887 51.2 -91.6-141.4 177.0 16.9 20.9 10.8 215 216 A G T 4 S+ 0 0 22 -2,-0.3 4,-0.4 1,-0.2 -2,-0.0 0.781 123.2 49.8 -60.8 -26.0 18.6 22.2 7.6 216 217 A K T 4 S+ 0 0 196 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.827 117.6 34.1 -81.4 -34.9 20.3 24.9 9.6 217 218 A N T > S+ 0 0 30 -3,-0.3 4,-1.6 1,-0.1 -2,-0.2 0.608 96.9 84.1 -98.4 -7.9 21.8 23.0 12.5 218 219 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.875 84.7 52.6 -65.5 -43.0 22.7 19.7 10.8 219 220 A R H > S+ 0 0 174 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.934 109.3 49.4 -66.7 -41.0 26.1 20.4 9.3 220 221 A T H 4 S+ 0 0 86 -4,-0.3 4,-0.4 1,-0.2 3,-0.4 0.909 112.6 48.5 -62.9 -42.7 27.5 21.7 12.6 221 222 A L H >< S+ 0 0 3 -4,-1.6 3,-1.5 1,-0.2 -1,-0.2 0.908 107.8 55.1 -61.7 -39.8 26.3 18.5 14.4 222 223 A Y H 3< S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.3 5,-0.2 0.752 92.6 70.7 -69.3 -24.2 27.7 16.2 11.7 223 224 A Q T 3< S+ 0 0 95 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.699 75.8 104.8 -68.2 -14.6 31.2 17.7 12.1 224 225 A Q S X S- 0 0 58 -3,-1.5 3,-1.6 -4,-0.4 -44,-0.0 -0.439 79.9-125.5 -69.2 138.2 31.4 15.9 15.5 225 226 A R T 3 S+ 0 0 195 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.743 105.0 41.5 -55.5 -33.1 33.6 12.9 15.4 226 227 A D T 3 S+ 0 0 28 -224,-0.1 2,-0.5 -20,-0.0 -1,-0.3 0.274 90.3 99.7-104.5 11.2 31.1 10.4 16.8 227 228 A V < + 0 0 0 -3,-1.6 -19,-0.2 -5,-0.2 3,-0.1 -0.879 41.8 178.2-101.2 125.3 28.0 11.6 14.8 228 229 A N - 0 0 0 -21,-2.9 -222,-2.0 -2,-0.5 2,-0.3 0.127 56.7 -61.9-115.6 18.6 27.1 9.5 11.8 229 230 A G E -b 6 0A 0 -22,-0.3 -20,-2.6 -224,-0.2 2,-0.3 -0.897 61.7 -73.4 133.2-159.9 23.9 11.2 10.5 230 231 A F E -bh 7 209A 0 -224,-2.0 -222,-2.9 -2,-0.3 2,-0.5 -0.965 4.1-145.1-145.0 146.4 20.4 11.9 11.7 231 232 A L E -bh 8 210A 1 -22,-1.6 -20,-0.5 -2,-0.3 2,-0.5 -0.976 38.2-162.2-107.8 118.4 16.9 10.6 12.4 232 233 A V E +b 9 0A 2 -224,-3.0 -222,-3.4 -2,-0.5 -22,-0.1 -0.904 20.7 170.8-116.8 125.7 14.7 13.6 11.4 233 234 A G S > S+ 0 0 21 -2,-0.5 3,-2.0 -224,-0.2 4,-0.4 0.788 74.5 14.6 -92.8 -95.6 11.1 14.1 12.4 234 235 A G G > S+ 0 0 55 1,-0.3 3,-1.4 2,-0.2 -20,-0.1 0.849 127.0 51.9 -57.2 -42.7 9.4 17.5 11.6 235 236 A A G > S+ 0 0 10 -22,-0.4 3,-1.2 1,-0.2 6,-0.4 0.655 95.4 71.2 -70.3 -14.3 12.0 18.6 9.1 236 237 A S G < S+ 0 0 0 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.631 92.1 58.1 -79.6 -10.2 11.8 15.3 7.1 237 238 A L G < S+ 0 0 57 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.335 103.5 69.9 -92.2 6.6 8.3 16.4 5.9 238 239 A K S X S- 0 0 107 -3,-1.2 3,-2.2 1,-0.1 4,-0.2 -0.817 93.0-108.5-127.6 156.9 9.9 19.6 4.3 239 240 A P T > S+ 0 0 90 0, 0.0 3,-2.3 0, 0.0 4,-0.4 0.829 110.4 74.8 -53.6 -32.7 12.2 20.4 1.4 240 241 A E T >> S+ 0 0 49 1,-0.3 4,-1.4 2,-0.2 3,-0.8 0.649 72.2 84.0 -64.2 -9.6 15.0 21.3 3.9 241 242 A F H <> S+ 0 0 0 -3,-2.2 4,-1.9 -6,-0.4 -1,-0.3 0.897 85.1 58.2 -53.8 -36.2 15.4 17.5 4.5 242 243 A V H <> S+ 0 0 29 -3,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.821 100.4 55.1 -64.6 -29.9 17.7 17.7 1.4 243 244 A D H <> S+ 0 0 83 -3,-0.8 4,-1.5 -4,-0.4 -1,-0.2 0.829 105.2 53.5 -69.8 -34.3 19.9 20.2 3.2 244 245 A I H < S+ 0 0 0 -4,-1.4 4,-0.5 -3,-0.3 -2,-0.2 0.891 107.5 50.5 -63.6 -41.5 20.2 17.6 6.0 245 246 A I H >< S+ 0 0 4 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.963 110.1 50.1 -57.5 -48.4 21.4 15.1 3.4 246 247 A K H 3< S+ 0 0 125 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.826 101.8 64.4 -61.5 -28.9 23.9 17.6 2.2 247 248 A A T 3< S+ 0 0 6 -4,-1.5 2,-1.7 1,-0.2 -1,-0.3 0.618 75.4 92.6 -67.7 -17.7 25.1 18.2 5.8 248 249 A T < 0 0 2 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.1 -0.237 360.0 360.0 -78.8 52.7 26.4 14.5 6.1 249 250 A Q 0 0 132 -2,-1.7 -27,-0.1 -3,-0.1 -215,-0.0 -0.971 360.0 360.0-163.5 360.0 30.0 15.3 5.0