==== 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 OXIDOREDUCTASE 10-MAR-99 1CEQ . COMPND 2 MOLECULE: PROTEIN (L-LACTATE DEHYDROGENASE); . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR J.A.READ,K.W.WILKINSON,R.TRANTER,R.B.SESSIONS,R.L.BRADY . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13815.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 79.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 10.2 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 23 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 1 1 0 0 1 0 3 0 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 2 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 19 A P 0 0 185 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-115.4 45.1 40.6 20.6 2 20 A K - 0 0 81 1,-0.1 25,-0.1 25,-0.0 2,-0.1 -0.152 360.0-105.0 -55.8 150.9 44.2 38.4 17.7 3 21 A A - 0 0 16 23,-0.5 25,-1.8 69,-0.1 2,-0.5 -0.423 26.9-136.0 -70.7 150.3 41.1 36.1 18.0 4 22 A K E -a 28 0A 55 66,-0.3 68,-2.8 23,-0.2 69,-1.8 -0.968 19.8-167.2-111.1 123.1 41.8 32.5 18.6 5 23 A I E -ab 29 73A 1 23,-2.7 25,-2.6 -2,-0.5 2,-0.6 -0.955 2.2-163.4-115.2 114.2 39.6 30.2 16.4 6 24 A V E -ab 30 74A 1 67,-2.8 69,-2.4 -2,-0.6 2,-0.8 -0.871 4.2-158.6-104.2 123.5 39.4 26.5 17.3 7 25 A L E -ab 31 75A 0 23,-3.2 25,-2.8 -2,-0.6 2,-1.2 -0.903 6.6-155.6-100.0 103.1 38.0 24.2 14.6 8 26 A V E S+ab 32 76A 0 67,-2.2 69,-2.5 -2,-0.8 70,-1.8 -0.728 77.2 32.3 -83.5 94.7 36.8 21.0 16.3 9 27 A G - 0 0 3 23,-3.1 23,-0.2 -2,-1.2 24,-0.2 0.134 68.0-153.1 121.8 120.8 37.1 18.6 13.4 10 28 A S + 0 0 0 21,-0.1 23,-0.1 4,-0.1 32,-0.1 -0.128 51.9 118.7-119.2 40.4 39.8 19.0 10.7 11 29 A G S > S- 0 0 30 3,-0.1 4,-2.7 4,-0.0 5,-0.2 0.227 86.1 -56.7 -80.2-150.8 38.1 17.4 7.7 12 30 A M H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.918 138.8 44.2 -63.2 -45.0 37.2 19.0 4.4 13 31 A I H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.965 113.6 52.7 -66.2 -43.6 35.0 21.7 5.8 14 32 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.903 107.9 51.7 -55.8 -44.9 37.7 22.3 8.5 15 33 A G H X S+ 0 0 15 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.894 111.0 45.5 -60.7 -43.9 40.4 22.7 5.8 16 35 A V H X S+ 0 0 27 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.883 110.7 54.2 -69.9 -35.5 38.5 25.2 3.8 17 36 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.930 109.0 48.0 -61.6 -43.7 37.6 27.3 6.9 18 37 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 5,-0.2 0.940 111.2 51.8 -62.9 -41.6 41.3 27.4 7.9 19 38 A T H X S+ 0 0 55 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.925 112.3 45.1 -58.4 -46.8 42.1 28.5 4.3 20 39 A L H X S+ 0 0 41 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.852 107.4 57.6 -71.4 -35.0 39.5 31.3 4.4 21 40 A I H <>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 4,-0.5 0.928 110.8 43.2 -63.4 -43.6 40.5 32.5 7.8 22 41 A V H ><5S+ 0 0 0 -4,-2.0 3,-1.5 2,-0.2 -2,-0.2 0.959 111.7 54.9 -67.5 -42.2 44.1 33.1 6.6 23 42 A Q H 3<5S+ 0 0 103 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.898 118.2 35.0 -54.1 -43.4 42.8 34.7 3.4 24 43 A K T 3<5S- 0 0 94 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.401 106.2-127.3 -92.7 3.3 40.8 37.1 5.4 25 44 A N T < 5 + 0 0 82 -3,-1.5 -3,-0.2 -4,-0.5 -4,-0.1 0.858 53.3 154.7 54.4 45.1 43.3 37.5 8.2 26 45 A L < - 0 0 18 -5,-2.3 -23,-0.5 1,-0.2 2,-0.3 0.836 54.6 -68.6 -77.1 -36.3 40.6 36.6 10.8 27 46 A G - 0 0 0 -6,-0.3 -1,-0.2 -25,-0.1 -23,-0.2 -0.930 66.3 -43.1 167.4 178.1 42.7 35.3 13.6 28 47 A D E -a 4 0A 33 -25,-1.8 -23,-2.7 -2,-0.3 2,-0.4 -0.410 58.8-145.8 -66.2 146.2 45.0 32.4 14.8 29 49 A V E -ac 5 59A 1 29,-3.3 31,-2.6 -25,-0.2 2,-0.5 -0.940 15.7-164.3-120.6 137.4 43.6 29.0 13.9 30 50 A V E -ac 6 60A 13 -25,-2.6 -23,-3.2 -2,-0.4 2,-0.9 -0.970 9.2-156.7-116.9 120.7 43.7 25.7 15.7 31 51 A L E -ac 7 61A 0 29,-3.5 31,-1.7 -2,-0.5 2,-0.4 -0.876 21.6-173.7 -94.5 104.1 42.8 22.7 13.6 32 52 A F E +ac 8 62A 7 -25,-2.8 -23,-3.1 -2,-0.9 2,-0.3 -0.887 13.7 150.8-103.8 142.6 41.7 20.1 16.1 33 53 A D - 0 0 29 29,-1.8 4,-0.1 -2,-0.4 29,-0.0 -0.973 49.9-126.7-160.5 158.7 40.9 16.5 15.4 34 54 A I S S+ 0 0 115 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.725 85.3 98.0 -80.2 -23.6 41.0 13.1 17.1 35 55 A V S S- 0 0 81 1,-0.1 3,-0.1 2,-0.1 -2,-0.1 -0.514 88.0-107.0 -69.4 128.7 43.0 11.7 14.2 36 56 A K S S- 0 0 153 -2,-0.3 2,-1.4 1,-0.2 -1,-0.1 -0.292 82.6 -22.6 -61.3 130.2 46.7 11.7 15.0 37 57 A N S >> S+ 0 0 86 1,-0.2 4,-1.7 -4,-0.1 3,-0.7 0.088 102.1 106.5 62.9 -23.2 48.9 14.3 13.3 38 58 A M H 3> S+ 0 0 59 -2,-1.4 4,-2.4 1,-0.3 3,-0.3 0.935 79.6 52.2 -51.0 -50.9 46.6 15.0 10.2 39 59 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.826 107.1 55.4 -56.4 -31.2 45.5 18.4 11.6 40 60 A H H <> S+ 0 0 83 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.916 108.0 48.1 -67.3 -41.9 49.2 19.2 12.0 41 61 A G H X S+ 0 0 44 -4,-1.7 4,-2.2 -3,-0.3 5,-0.2 0.915 114.6 44.4 -63.2 -48.4 49.8 18.4 8.3 42 62 A K H X S+ 0 0 58 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.910 113.5 51.6 -64.6 -40.6 46.9 20.5 7.1 43 63 A A H X S+ 0 0 1 -4,-2.1 4,-2.8 -5,-0.3 -2,-0.2 0.919 109.4 49.8 -61.8 -44.8 47.9 23.4 9.4 44 64 A L H X S+ 0 0 106 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.970 112.7 46.5 -59.1 -52.3 51.5 23.4 8.2 45 65 A D H >< S+ 0 0 115 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.933 115.8 46.2 -51.6 -53.0 50.3 23.5 4.5 46 66 A T H >< S+ 0 0 10 -4,-2.8 3,-1.4 1,-0.2 4,-0.3 0.862 101.1 66.6 -64.9 -33.6 47.8 26.2 5.3 47 67 A S H >< S+ 0 0 33 -4,-2.8 3,-1.4 1,-0.3 4,-0.3 0.845 92.2 62.1 -58.4 -33.8 50.3 28.3 7.4 48 68 A H T XX S+ 0 0 102 -4,-1.2 3,-1.5 -3,-0.6 4,-0.7 0.765 86.3 73.1 -66.4 -23.5 52.4 29.0 4.2 49 69 A T H <> S+ 0 0 33 -3,-1.4 4,-3.0 -4,-0.5 -1,-0.3 0.647 75.5 81.6 -69.0 -8.4 49.5 30.9 2.6 50 70 A N H <>>S+ 0 0 23 -3,-1.4 5,-1.8 -4,-0.3 4,-1.1 0.897 90.8 52.3 -57.5 -40.2 50.2 33.7 5.0 51 71 A V H X45S+ 0 0 117 -3,-1.5 3,-0.9 -4,-0.3 -1,-0.2 0.985 113.5 40.5 -61.0 -56.9 53.0 34.8 2.6 52 72 A M H 3<5S+ 0 0 131 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.818 119.1 47.2 -61.2 -35.7 50.7 34.8 -0.5 53 73 A A H 3<5S- 0 0 20 -4,-3.0 -1,-0.2 2,-0.1 -2,-0.2 0.537 102.1-127.0 -88.0 -3.8 47.8 36.4 1.4 54 73AA Y T <<5 + 0 0 221 -4,-1.1 -3,-0.2 -3,-0.9 2,-0.2 0.847 68.7 127.2 64.5 30.3 49.8 39.2 3.2 55 74 A S < - 0 0 19 -5,-1.8 -1,-0.2 -6,-0.2 -33,-0.1 -0.566 57.2-144.9-113.7 179.4 48.3 38.0 6.5 56 75 A N + 0 0 115 -2,-0.2 2,-0.5 -34,-0.1 -28,-0.1 -0.506 42.0 139.6-145.6 67.1 49.7 37.0 9.9 57 76 A C - 0 0 1 -10,-0.1 2,-0.2 -30,-0.1 -29,-0.1 -0.972 47.2-131.9-112.8 128.4 47.5 34.2 11.3 58 77 A K - 0 0 140 -2,-0.5 -29,-3.3 -8,-0.0 2,-0.5 -0.496 21.6-164.8 -73.7 139.0 49.1 31.3 13.2 59 78 A V E +c 29 0A 14 -31,-0.2 2,-0.3 -2,-0.2 -29,-0.2 -0.949 17.6 162.4-128.6 112.9 47.8 28.0 11.9 60 79 A S E -c 30 0A 58 -31,-2.6 -29,-3.5 -2,-0.5 2,-0.2 -0.891 30.5-129.9-133.2 157.6 48.4 24.9 14.1 61 80 A G E -c 31 0A 9 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.571 22.7-167.2 -96.7 167.3 47.1 21.4 14.5 62 81 A S E -c 32 0A 1 -31,-1.7 -29,-1.8 -2,-0.2 3,-0.0 -0.969 28.9-178.7-158.6 139.8 46.0 19.8 17.8 63 83 A N S S+ 0 0 44 -2,-0.3 2,-0.4 -31,-0.2 -31,-0.1 0.073 71.0 86.8-120.4 16.2 45.1 16.4 19.1 64 84 A T > - 0 0 81 1,-0.1 3,-1.7 0, 0.0 4,-0.1 -0.969 67.2-147.4-124.4 123.6 44.4 17.7 22.6 65 85 A Y G > S+ 0 0 28 -2,-0.4 3,-1.8 1,-0.3 4,-0.1 0.774 93.2 70.1 -59.3 -29.0 41.1 19.1 23.9 66 86 A D G > S+ 0 0 90 1,-0.3 3,-2.7 2,-0.2 -1,-0.3 0.719 76.2 81.7 -68.3 -11.5 42.7 21.7 26.2 67 87 A D G < S+ 0 0 61 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.621 75.0 77.2 -65.1 -5.8 43.9 23.7 23.2 68 88 A L G X + 0 0 4 -3,-1.8 3,-2.5 -4,-0.1 -1,-0.3 0.686 68.3 114.8 -69.5 -21.6 40.3 25.1 23.4 69 89 A A T < S+ 0 0 33 -3,-2.7 37,-0.2 1,-0.3 36,-0.1 -0.285 82.4 15.5 -54.3 130.3 41.5 27.2 26.3 70 90 A G T 3 S+ 0 0 53 35,-1.1 -66,-0.3 1,-0.3 -1,-0.3 0.453 88.2 158.0 85.5 -2.9 41.4 30.9 25.2 71 91 A S < - 0 0 6 -3,-2.5 -1,-0.3 1,-0.2 -66,-0.2 -0.367 25.4-176.1 -54.5 131.5 39.1 30.2 22.3 72 92 A D S S+ 0 0 70 -68,-2.8 38,-2.7 1,-0.4 2,-0.4 0.744 79.3 21.3 -92.8 -35.6 37.1 33.2 21.1 73 93 A V E -bd 5 110A 0 -69,-1.8 -67,-2.8 36,-0.2 2,-0.4 -0.999 66.5-167.9-137.2 134.3 35.3 31.1 18.5 74 94 A V E -bd 6 111A 0 36,-2.5 38,-2.9 -2,-0.4 2,-0.5 -0.991 3.2-167.4-127.8 125.3 34.7 27.4 18.3 75 95 A I E -bd 7 112A 0 -69,-2.4 -67,-2.2 -2,-0.4 2,-0.7 -0.977 9.4-154.9-118.7 115.6 33.4 25.7 15.1 76 96 A V E +bd 8 113A 0 36,-2.9 38,-2.8 -2,-0.5 39,-1.3 -0.864 37.1 142.8-101.4 115.7 32.2 22.1 15.5 77 97 A T + 0 0 29 -69,-2.5 -68,-0.2 -2,-0.7 39,-0.2 0.379 39.4 120.9-119.9 -7.9 32.2 19.8 12.4 78 98 A A + 0 0 24 -70,-1.8 2,-0.2 37,-0.1 37,-0.1 -0.317 39.1 89.5 -59.9 144.0 33.3 16.7 14.3 79 99 A G S S- 0 0 32 15,-0.1 2,-0.2 36,-0.1 12,-0.1 -0.738 76.2 -75.8 148.7 160.6 31.0 13.7 14.1 80 100 A F 0 0 109 -2,-0.2 36,-0.1 7,-0.2 11,-0.1 -0.568 360.0 360.0 -77.5 148.3 29.9 10.5 12.3 81 101 A T 0 0 157 -2,-0.2 34,-0.0 34,-0.1 -2,-0.0 -0.839 360.0 360.0-136.5 360.0 28.0 11.3 9.1 82 ! 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 83 108EA N > 0 0 143 0, 0.0 3,-3.7 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 47.7 20.1 4.3 9.3 84 109 A R G > + 0 0 148 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.688 360.0 66.6 -42.1 -31.3 21.0 7.9 9.9 85 110 A D G > S+ 0 0 49 1,-0.2 3,-1.1 2,-0.2 -1,-0.3 0.802 89.9 65.4 -64.2 -30.2 19.0 7.8 13.1 86 111 A D G <> S+ 0 0 92 -3,-3.7 4,-0.6 1,-0.3 -1,-0.2 0.795 94.7 57.7 -62.3 -33.2 21.5 5.3 14.5 87 112 A L H <> S+ 0 0 44 -3,-0.8 4,-3.1 -4,-0.5 5,-0.3 0.613 84.0 86.6 -75.8 -14.3 24.3 8.0 14.5 88 113 A L H <> S+ 0 0 4 -3,-1.1 4,-2.0 -4,-0.4 -1,-0.2 0.938 92.4 39.9 -54.8 -56.4 22.2 10.4 16.7 89 114 A P H > S+ 0 0 43 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.911 115.1 53.3 -63.4 -40.5 23.4 8.9 20.1 90 115 A L H X S+ 0 0 67 -4,-0.6 4,-1.2 1,-0.2 -2,-0.2 0.927 112.7 43.5 -60.9 -44.5 27.0 8.5 18.9 91 116 A N H X S+ 0 0 4 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.808 108.8 58.6 -72.1 -26.3 27.1 12.2 17.8 92 117 A N H X S+ 0 0 26 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.950 103.5 53.1 -64.6 -42.5 25.4 13.2 21.0 93 118 A K H X S+ 0 0 122 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.841 108.0 50.3 -58.4 -37.3 28.3 11.5 22.8 94 119 A I H X S+ 0 0 34 -4,-1.2 4,-2.9 1,-0.2 5,-0.2 0.944 109.9 49.6 -70.3 -43.2 30.7 13.7 20.8 95 120 A M H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.851 109.6 53.3 -60.6 -38.5 28.8 16.8 21.7 96 121 A I H X S+ 0 0 74 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.964 111.4 43.7 -58.4 -57.1 28.9 15.8 25.4 97 122 A E H X S+ 0 0 97 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.945 117.8 45.6 -56.3 -49.2 32.7 15.4 25.4 98 123 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 3,-0.2 0.928 111.4 53.5 -62.4 -43.1 33.1 18.6 23.4 99 124 A G H X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.877 104.7 53.9 -59.9 -38.8 30.7 20.5 25.6 100 125 A G H X S+ 0 0 40 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.888 110.5 47.3 -62.9 -38.0 32.5 19.5 28.8 101 126 A H H X S+ 0 0 54 -4,-1.5 4,-3.3 -3,-0.2 5,-0.5 0.837 110.0 52.6 -74.1 -30.7 35.7 20.9 27.4 102 127 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.966 109.9 48.2 -67.8 -49.7 34.0 24.1 26.3 103 128 A K H < S+ 0 0 141 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.911 121.7 36.7 -53.5 -46.8 32.6 24.7 29.8 104 129 A K H < S+ 0 0 172 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.907 129.6 26.8 -73.0 -47.3 36.0 24.0 31.4 105 130 A N H < S+ 0 0 23 -4,-3.3 -35,-1.1 1,-0.2 -3,-0.2 0.796 134.8 10.0 -91.8 -37.8 38.4 25.6 28.8 106 131 A C >< + 0 0 6 -4,-2.0 3,-1.7 -5,-0.5 -1,-0.2 -0.372 60.0 159.1-146.3 66.2 36.5 28.4 27.0 107 132 A P T 3 S+ 0 0 59 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.713 79.1 53.6 -62.4 -21.6 33.2 29.2 28.6 108 132BA N T 3 S+ 0 0 131 -37,-0.1 -5,-0.1 -6,-0.1 -6,-0.0 0.390 83.7 117.9 -97.0 4.1 33.1 32.7 27.0 109 133 A A < - 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0 0 50 -2,-0.3 4,-2.0 -3,-0.1 5,-0.1 -0.753 22.9-117.3-107.3 163.9 8.1 31.8 -14.1 200 221 A D H > S+ 0 0 73 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.838 115.7 56.0 -63.9 -37.0 6.6 30.1 -11.1 201 222 A A H > S+ 0 0 65 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.887 107.1 47.9 -68.0 -37.9 7.4 26.7 -12.7 202 223 A E H > S+ 0 0 64 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.916 111.8 51.0 -65.9 -42.2 11.1 27.6 -12.9 203 225 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.893 106.2 55.1 -64.4 -35.5 11.0 28.8 -9.3 204 226 A E H X S+ 0 0 127 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.907 109.7 46.5 -61.8 -41.8 9.4 25.4 -8.3 205 227 A A H X S+ 0 0 60 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.948 111.0 52.2 -69.1 -41.9 12.3 23.6 -9.9 206 228 A I H X S+ 0 0 12 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.890 107.7 53.0 -60.6 -38.4 14.8 25.9 -8.2 207 229 A F H X S+ 0 0 36 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.933 110.1 46.1 -64.3 -44.3 13.2 25.2 -4.8 208 230 A D H X S+ 0 0 98 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.898 112.5 51.3 -64.1 -38.6 13.5 21.4 -5.2 209 231 A R H < S+ 0 0 112 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.903 109.0 51.3 -65.7 -37.6 17.1 21.8 -6.4 210 232 A T H >< S+ 0 0 1 -4,-2.3 3,-1.3 2,-0.2 4,-0.3 0.972 111.8 46.5 -62.5 -52.1 17.8 24.0 -3.3 211 233 A V H 3< S+ 0 0 33 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.910 121.2 38.3 -56.9 -43.1 16.4 21.3 -1.0 212 234 A N T 3X S+ 0 0 67 -4,-2.6 4,-2.7 1,-0.2 -1,-0.3 0.185 80.1 113.6 -97.1 18.0 18.3 18.5 -2.8 213 235 A T H <> S+ 0 0 3 -3,-1.3 4,-2.7 -4,-0.3 -1,-0.2 0.884 77.1 49.7 -58.2 -45.2 21.6 20.3 -3.5 214 236 A A H > S+ 0 0 44 -3,-0.3 4,-2.5 -4,-0.3 5,-0.2 0.956 113.4 47.6 -60.6 -45.6 23.7 18.1 -1.2 215 237 A L H > S+ 0 0 95 1,-0.2 4,-2.6 -4,-0.2 -2,-0.2 0.927 110.6 52.6 -59.4 -43.4 22.2 15.0 -2.8 216 238 A E H X S+ 0 0 58 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.922 109.8 48.4 -60.7 -40.6 22.8 16.5 -6.3 217 239 A I H <>S+ 0 0 47 -4,-2.7 5,-1.5 1,-0.2 -2,-0.2 0.933 112.9 47.1 -66.4 -43.3 26.5 17.1 -5.4 218 240 A V H ><5S+ 0 0 76 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.846 107.8 55.6 -66.6 -33.3 27.0 13.5 -4.1 219 241 A N H 3<5S+ 0 0 107 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.869 104.3 56.1 -70.3 -24.6 25.2 12.0 -7.1 220 242 A L T 3<5S- 0 0 121 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.281 125.6-104.8 -85.2 8.7 27.8 13.9 -9.2 221 243 A H T < 5S+ 0 0 179 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.864 89.6 94.4 68.5 43.7 30.6 12.1 -7.2 222 244 A A < - 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