==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-OCT-02 1N1E . COMPND 2 MOLECULE: GLYCEROL-3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR J.CHOE,W.G.J.HOL . 698 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 503 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 30 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 3.0 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 5 3 2 2 0 5 8 1 0 0 0 2 0 0 0 0 2 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 6 2 0 4 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 0 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 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 9 A K 0 0 191 0, 0.0 174,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.7 30.6 48.2 -18.5 2 10 A D + 0 0 92 2,-0.1 2,-0.3 173,-0.0 687,-0.3 0.052 360.0 121.2-112.7 22.0 28.3 45.5 -16.9 3 11 A E - 0 0 154 1,-0.1 172,-0.1 685,-0.1 0, 0.0 -0.689 67.1-109.0 -86.0 142.2 25.6 45.5 -19.7 4 12 A L - 0 0 39 -2,-0.3 2,-0.4 1,-0.1 172,-0.2 -0.250 23.6-137.5 -72.4 150.6 25.0 42.2 -21.4 5 13 A L - 0 0 35 170,-2.2 2,-0.4 173,-0.2 -1,-0.1 -0.879 12.7-157.9-107.3 147.7 26.0 41.5 -25.0 6 14 A Y - 0 0 149 -2,-0.4 2,-0.3 171,-0.0 24,-0.2 -0.945 7.5-156.3-124.5 141.4 23.8 39.6 -27.4 7 15 A L E -a 30 0A 20 22,-2.1 24,-1.5 -2,-0.4 3,-0.1 -0.748 23.8-133.3-114.7 163.7 25.0 37.7 -30.6 8 16 A N E S+ 0 0 83 1,-0.3 24,-1.6 -2,-0.3 2,-0.3 0.861 89.9 1.3 -73.7 -43.0 23.4 36.6 -33.9 9 17 A K E -a 32 0A 13 68,-0.2 70,-2.7 22,-0.2 71,-0.4 -0.998 54.6-171.7-153.2 143.0 24.8 33.1 -33.6 10 18 A A E -a 33 0A 0 22,-1.6 24,-2.1 -2,-0.3 2,-0.4 -0.948 13.5-151.0-126.6 151.1 26.8 30.8 -31.4 11 19 A V E -ab 34 81A 0 69,-2.0 71,-2.4 -2,-0.3 2,-0.5 -0.988 3.6-160.9-121.9 136.5 28.2 27.3 -32.1 12 20 A V E -ab 35 82A 0 22,-2.8 24,-2.8 -2,-0.4 2,-0.9 -0.973 4.3-161.4-115.7 114.8 28.7 24.5 -29.6 13 21 A F E +ab 36 83A 0 69,-2.9 71,-3.5 -2,-0.5 72,-0.3 -0.871 69.9 69.9 -91.6 104.0 31.0 21.7 -30.5 14 22 A G - 0 0 4 22,-1.2 71,-0.1 -2,-0.9 23,-0.1 -0.028 54.5-168.2 141.0 103.1 29.9 19.1 -27.9 15 23 A S + 0 0 16 4,-0.1 40,-0.2 20,-0.1 39,-0.1 0.211 55.6 106.5-100.4 9.2 26.5 17.5 -28.0 16 24 A G S > S- 0 0 23 68,-0.3 4,-2.2 38,-0.1 5,-0.2 0.072 92.4 -74.8 -76.3-168.9 26.7 16.0 -24.5 17 25 A A H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.932 131.7 39.9 -54.2 -49.9 24.9 17.0 -21.3 18 26 A F H > S+ 0 0 35 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.897 113.2 52.1 -76.1 -39.4 27.1 20.1 -20.7 19 27 A G H > S+ 0 0 1 65,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.913 113.5 46.1 -59.2 -41.6 27.3 21.2 -24.4 20 28 A T H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.910 111.4 52.2 -67.7 -43.0 23.5 21.0 -24.6 21 29 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.917 110.6 47.6 -56.4 -46.7 23.2 22.9 -21.2 22 30 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.821 107.1 56.4 -68.6 -31.0 25.4 25.6 -22.4 23 31 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.868 104.3 54.3 -63.6 -35.9 23.4 25.8 -25.7 24 32 A M H X S+ 0 0 32 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.905 110.0 46.6 -64.3 -39.6 20.4 26.4 -23.5 25 33 A V H >< S+ 0 0 4 -4,-1.7 3,-1.5 1,-0.2 4,-0.4 0.958 113.5 48.0 -61.6 -51.9 22.2 29.4 -21.8 26 34 A L H >X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.3 3,-1.3 0.791 97.8 69.4 -64.6 -27.1 23.3 30.7 -25.2 27 35 A S H 3< S+ 0 0 18 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.767 98.2 53.2 -62.5 -22.5 19.8 30.4 -26.6 28 36 A K T << S+ 0 0 88 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.657 118.0 35.6 -79.4 -18.1 18.8 33.3 -24.2 29 37 A K T <4 S+ 0 0 5 -3,-1.3 -22,-2.1 -4,-0.4 2,-0.3 0.524 114.2 55.7-113.3 -11.4 21.7 35.4 -25.6 30 38 A C E < -a 7 0A 8 -4,-1.7 -22,-0.2 -24,-0.2 -21,-0.1 -0.944 66.7-137.4-129.7 145.9 21.7 34.5 -29.3 31 39 A R E S+ 0 0 165 -24,-1.5 2,-0.4 -2,-0.3 -22,-0.2 0.896 97.0 20.3 -64.4 -36.7 19.2 34.5 -32.2 32 40 A E E -a 9 0A 73 -24,-1.6 -22,-1.6 -25,-0.1 2,-0.4 -0.988 63.3-173.1-137.5 138.0 20.6 31.2 -33.3 33 41 A V E -ac 10 65A 0 31,-2.5 33,-2.4 -2,-0.4 2,-0.4 -0.995 7.1-164.9-131.6 128.3 22.6 28.4 -31.6 34 42 A C E -ac 11 66A 10 -24,-2.1 -22,-2.8 -2,-0.4 2,-0.5 -0.936 3.2-160.1-111.0 135.8 23.9 25.3 -33.5 35 43 A V E -ac 12 67A 0 31,-2.3 33,-2.3 -2,-0.4 2,-0.4 -0.973 13.6-141.5-114.4 122.9 25.2 22.2 -31.6 36 44 A W E +ac 13 68A 28 -24,-2.8 -22,-1.2 -2,-0.5 2,-0.3 -0.717 22.5 175.6 -88.4 132.8 27.5 19.9 -33.5 37 45 A H - 0 0 7 31,-2.5 6,-0.1 -2,-0.4 -2,-0.0 -0.995 31.9-131.9-133.7 140.7 27.1 16.1 -33.0 38 46 A M S S+ 0 0 153 -2,-0.3 2,-0.5 1,-0.1 31,-0.1 0.637 86.1 67.3 -70.1 -17.4 29.1 13.5 -35.0 39 47 A N > - 0 0 63 1,-0.1 4,-1.9 29,-0.1 5,-0.1 -0.922 60.1-161.8-118.2 120.4 26.1 11.2 -36.0 40 48 A E H > S+ 0 0 75 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.855 90.6 54.4 -71.8 -39.2 23.4 12.4 -38.5 41 49 A E H > S+ 0 0 164 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.918 112.5 45.4 -57.4 -44.1 20.7 9.9 -37.6 42 50 A E H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.871 109.1 56.5 -70.7 -35.3 21.0 10.9 -34.0 43 51 A V H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 24,-0.2 0.905 107.0 49.1 -57.6 -45.5 21.0 14.6 -35.0 44 52 A R H X S+ 0 0 172 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.891 110.8 50.8 -63.8 -40.8 17.7 14.0 -36.9 45 53 A L H X S+ 0 0 65 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.932 111.5 46.4 -60.1 -50.3 16.2 12.3 -33.8 46 54 A V H X>S+ 0 0 0 -4,-2.5 5,-1.3 1,-0.2 4,-1.1 0.901 113.6 48.7 -61.9 -43.5 17.2 15.1 -31.4 47 55 A N H <5S+ 0 0 43 -4,-2.4 3,-0.3 2,-0.2 -1,-0.2 0.916 113.3 47.4 -65.0 -41.1 15.9 17.8 -33.8 48 56 A E H <5S+ 0 0 147 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.916 116.4 42.4 -65.2 -44.3 12.5 15.9 -34.2 49 57 A K H <5S- 0 0 116 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.608 97.3-136.6 -78.1 -13.4 12.0 15.3 -30.5 50 58 A R T <5S+ 0 0 66 -4,-1.1 11,-2.0 -3,-0.3 2,-0.3 0.898 78.0 92.3 49.7 42.6 13.1 18.9 -29.5 51 59 A E B + 0 0 0 7,-0.6 4,-2.3 4,-0.4 7,-0.1 -0.609 38.8 171.3 -76.8 81.1 18.6 15.7 -26.5 53 61 A V T 4 S+ 0 0 33 -2,-1.9 4,-0.2 1,-0.2 -1,-0.2 0.649 70.2 58.8 -70.8 -12.8 17.3 12.2 -25.8 54 62 A L T 4 S- 0 0 37 -3,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.938 128.5 -0.9 -78.2 -48.9 20.9 10.8 -26.1 55 63 A F T 4 S+ 0 0 88 -40,-0.2 -2,-0.2 -39,-0.1 -38,-0.1 0.470 134.2 38.7-128.7 -10.2 22.7 12.9 -23.3 56 64 A L S >< S- 0 0 12 -4,-2.3 3,-1.2 3,-0.1 -4,-0.4 -0.366 72.5-174.9-143.1 64.0 20.2 15.3 -21.6 57 65 A K T 3 + 0 0 135 1,-0.2 -4,-0.1 -4,-0.2 3,-0.1 -0.267 64.7 27.3 -63.1 138.8 16.9 13.5 -21.2 58 66 A G T 3 S+ 0 0 67 1,-0.2 2,-0.6 0, 0.0 -1,-0.2 0.346 91.3 106.1 98.9 -6.6 13.9 15.4 -19.9 59 67 A V < - 0 0 11 -3,-1.2 -7,-0.6 -7,-0.1 2,-0.4 -0.936 62.7-139.9-112.5 117.1 14.9 18.9 -21.0 60 68 A Q B -I 51 0B 154 -2,-0.6 -9,-0.2 -9,-0.1 2,-0.1 -0.609 24.1-123.6 -75.5 126.7 13.0 20.5 -23.9 61 69 A L - 0 0 8 -11,-2.0 -1,-0.1 -2,-0.4 -37,-0.0 -0.408 24.0-106.7 -70.6 140.4 15.3 22.4 -26.3 62 70 A A > - 0 0 24 1,-0.1 3,-1.6 -2,-0.1 -1,-0.1 -0.314 31.0-117.3 -57.2 150.9 14.7 26.0 -27.1 63 71 A S T 3 S+ 0 0 109 1,-0.3 -1,-0.1 -36,-0.0 -2,-0.1 0.727 112.5 61.0 -69.4 -23.3 13.4 26.5 -30.6 64 72 A N T 3 S+ 0 0 40 -34,-0.1 -31,-2.5 -32,-0.1 2,-0.5 0.297 86.1 91.9 -89.7 11.2 16.4 28.5 -31.6 65 73 A I E < +c 33 0A 0 -3,-1.6 2,-0.4 -33,-0.2 -31,-0.2 -0.934 54.5 179.1-102.5 123.2 18.8 25.5 -30.9 66 74 A T E -c 34 0A 65 -33,-2.4 -31,-2.3 -2,-0.5 2,-0.3 -0.983 18.6-142.3-124.9 133.4 19.4 23.2 -33.9 67 75 A F E +c 35 0A 3 -2,-0.4 2,-0.3 -24,-0.2 -31,-0.2 -0.674 25.0 173.5 -88.4 148.8 21.6 20.2 -33.9 68 76 A T E -c 36 0A 21 -33,-2.3 -31,-2.5 -2,-0.3 -29,-0.1 -0.984 35.3-154.3-150.0 154.8 23.8 19.4 -37.0 69 77 A S S S+ 0 0 36 -2,-0.3 2,-0.7 -33,-0.2 -29,-0.1 0.331 75.1 95.8-106.1 2.2 26.5 16.9 -38.0 70 78 A D > - 0 0 57 1,-0.2 4,-2.2 -30,-0.1 3,-0.0 -0.857 59.9-161.9 -97.8 111.2 27.9 19.2 -40.6 71 79 A V H > S+ 0 0 9 -2,-0.7 4,-2.0 1,-0.2 5,-0.2 0.896 88.5 50.1 -58.1 -45.4 30.9 21.1 -39.0 72 80 A E H > S+ 0 0 71 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.856 111.7 46.5 -68.8 -38.2 30.9 23.9 -41.6 73 81 A K H 4 S+ 0 0 142 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.900 109.3 58.9 -67.9 -38.1 27.2 24.6 -41.3 74 82 A A H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -40,-0.2 0.934 114.9 31.0 -56.6 -50.8 27.6 24.6 -37.5 75 83 A Y H >< S+ 0 0 23 -4,-2.0 3,-2.7 2,-0.1 -1,-0.2 0.628 84.8 125.4 -88.3 -13.5 30.1 27.4 -37.3 76 84 A N T 3< S- 0 0 113 -4,-1.1 25,-0.0 1,-0.3 -3,-0.0 -0.255 90.8 -4.3 -55.6 119.3 29.1 29.5 -40.3 77 85 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.3 2,-0.0 -68,-0.2 0.425 94.5 150.1 78.5 -0.2 28.4 33.0 -39.1 78 86 A A < - 0 0 1 -3,-2.7 -1,-0.3 1,-0.1 -68,-0.2 -0.431 34.2-165.2 -69.1 139.2 29.0 32.1 -35.4 79 87 A E S S+ 0 0 75 -70,-2.7 2,-0.3 1,-0.2 -69,-0.2 0.401 77.9 32.4-106.5 -4.8 30.4 34.9 -33.2 80 88 A I - 0 0 0 -71,-0.4 -69,-2.0 30,-0.1 2,-0.4 -0.966 68.0-157.0-146.4 144.9 31.5 32.6 -30.4 81 89 A I E -bd 11 112A 0 30,-2.3 32,-2.9 -2,-0.3 2,-0.4 -0.990 6.8-164.5-121.4 127.2 32.7 29.0 -30.5 82 90 A L E -bd 12 113A 0 -71,-2.4 -69,-2.9 -2,-0.4 2,-0.5 -0.916 6.0-155.5-108.4 135.2 32.4 26.6 -27.5 83 91 A F E +bd 13 114A 0 30,-2.2 32,-2.7 -2,-0.4 33,-0.8 -0.964 29.1 152.2-109.1 121.9 34.3 23.4 -27.2 84 92 A V + 0 0 15 -71,-3.5 -68,-0.3 -2,-0.5 -65,-0.3 -0.090 26.2 130.8-138.9 28.6 32.7 20.8 -24.9 85 93 A I S S- 0 0 12 -72,-0.3 5,-0.2 -71,-0.1 31,-0.1 -0.729 70.6 -95.0 -81.1 135.8 34.0 17.6 -26.5 86 94 A P >> - 0 0 36 0, 0.0 3,-2.0 0, 0.0 4,-0.8 -0.174 37.8-107.7 -57.2 150.9 35.4 15.3 -23.8 87 95 A T H >> S+ 0 0 0 30,-0.5 3,-0.9 1,-0.3 4,-0.6 0.810 114.7 50.6 -53.6 -45.9 39.2 15.5 -23.3 88 96 A Q H 34 S+ 0 0 51 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.593 114.6 45.7 -75.6 -7.7 40.2 12.2 -24.9 89 97 A F H <> S+ 0 0 128 -3,-2.0 4,-1.5 2,-0.1 -1,-0.2 0.480 88.3 86.1-108.2 -7.6 38.2 13.0 -28.1 90 98 A L H S+ 0 0 36 1,-0.2 4,-2.3 -4,-0.2 5,-0.3 0.837 105.8 55.8 -61.6 -35.9 40.6 13.5 -33.0 93 101 A F H X>S+ 0 0 12 -4,-1.5 4,-2.3 -3,-0.2 5,-0.6 0.925 111.1 43.3 -60.8 -47.4 37.9 16.1 -33.7 94 102 A F H X5S+ 0 0 6 -4,-1.7 4,-1.1 3,-0.2 5,-0.2 0.934 116.2 47.2 -66.2 -43.2 40.6 18.6 -34.8 95 103 A E H <5S+ 0 0 133 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.876 124.8 29.2 -64.4 -39.4 42.6 16.1 -36.9 96 104 A K H <5S+ 0 0 180 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.808 138.8 9.3 -93.1 -33.8 39.6 14.6 -38.7 97 105 A S H <5S+ 0 0 34 -4,-2.3 4,-0.3 -5,-0.3 3,-0.2 0.394 103.6 82.3-134.6 1.6 37.0 17.4 -39.0 98 106 A G X< + 0 0 0 -4,-1.1 4,-2.8 -5,-0.6 5,-0.2 0.485 54.3 101.3 -99.5 -4.3 38.5 20.7 -37.9 99 107 A G H > S+ 0 0 51 1,-0.2 4,-1.6 -5,-0.2 -1,-0.2 0.866 91.1 35.2 -53.0 -50.6 40.4 22.1 -40.9 100 108 A N H > S+ 0 0 94 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.865 115.7 55.6 -76.1 -35.9 37.8 24.7 -42.1 101 109 A L H > S+ 0 0 1 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.921 107.2 51.6 -56.7 -45.1 36.7 25.6 -38.6 102 110 A I H X S+ 0 0 24 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.931 110.5 47.1 -60.7 -47.4 40.3 26.4 -37.7 103 111 A A H X S+ 0 0 55 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.895 113.2 49.6 -62.1 -40.0 40.7 28.7 -40.7 104 112 A Y H X S+ 0 0 37 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.946 110.3 48.6 -63.8 -50.8 37.4 30.5 -40.0 105 113 A A H X>S+ 0 0 0 -4,-2.7 5,-1.6 1,-0.2 4,-0.7 0.903 115.9 44.7 -58.9 -42.1 38.2 31.1 -36.3 106 114 A K H <5S+ 0 0 101 -4,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.935 115.5 45.8 -66.0 -47.8 41.6 32.5 -37.2 107 115 A E H <5S+ 0 0 148 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.890 123.2 33.9 -67.1 -41.3 40.3 34.6 -40.1 108 116 A K H <5S- 0 0 129 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.444 102.8-128.6 -95.0 0.8 37.4 36.1 -38.3 109 117 A Q T <5 - 0 0 121 -4,-0.7 -3,-0.2 -3,-0.3 -4,-0.1 0.934 38.5-175.4 52.2 51.5 39.1 36.2 -34.9 110 118 A V < - 0 0 6 -5,-1.6 -1,-0.2 -6,-0.2 -30,-0.1 -0.670 26.4-116.6 -84.8 125.1 36.2 34.4 -33.2 111 119 A P - 0 0 33 0, 0.0 -30,-2.3 0, 0.0 2,-0.4 -0.337 27.6-152.9 -61.8 138.8 36.5 33.9 -29.5 112 120 A V E -de 81 140A 0 27,-3.0 29,-2.1 -32,-0.2 2,-0.6 -0.968 4.0-158.5-119.2 129.5 36.7 30.3 -28.4 113 121 A L E -de 82 141A 0 -32,-2.9 -30,-2.2 -2,-0.4 2,-0.6 -0.943 8.3-149.8-115.5 114.7 35.6 29.2 -25.0 114 122 A V E +de 83 142A 2 27,-3.4 29,-2.8 -2,-0.6 -30,-0.1 -0.756 26.2 163.3 -89.8 118.6 37.0 25.9 -23.7 115 123 A C + 0 0 4 -32,-2.7 -31,-0.2 -2,-0.6 -1,-0.1 0.469 40.1 109.3-114.5 -10.2 34.5 24.1 -21.4 116 124 A T - 0 0 13 -33,-0.8 2,-0.4 -31,-0.1 12,-0.2 -0.400 53.0-154.7 -67.8 143.3 36.1 20.6 -21.4 117 125 A K + 0 0 29 -2,-0.1 -30,-0.5 82,-0.1 2,-0.3 -0.986 42.2 57.3-124.6 136.8 37.8 19.4 -18.3 118 126 A G S S- 0 0 0 -2,-0.4 2,-0.4 78,-0.3 82,-0.2 -0.900 70.8 -84.3 146.2-170.9 40.6 16.8 -18.0 119 127 A I - 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0 0 80 -5,-2.3 -1,-0.3 1,-0.1 2,-0.2 -0.593 53.5-115.4 -78.9 144.6 8.1 30.6 8.1 629 287 B P >> - 0 0 53 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.547 19.8-121.2 -74.9 147.1 8.8 33.4 10.5 630 288 B I H 3> S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.783 110.9 63.7 -57.3 -29.2 11.9 33.1 12.8 631 289 B E H 3> S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.877 107.9 40.5 -66.4 -38.7 9.7 33.4 15.9 632 290 B E H <> S+ 0 0 84 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.885 113.0 54.6 -76.1 -40.7 7.8 30.2 14.9 633 291 B I H < S+ 0 0 1 -4,-2.0 4,-0.2 1,-0.2 -2,-0.2 0.965 115.3 39.6 -50.0 -56.1 11.1 28.4 13.9 634 292 B Q H >< S+ 0 0 78 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.797 110.7 58.6 -72.5 -29.7 12.7 29.1 17.2 635 293 B R H 3< S+ 0 0 170 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.911 114.6 36.7 -62.4 -42.4 9.5 28.5 19.2 636 294 B T T 3< S+ 0 0 78 -4,-2.1 2,-0.4 -3,-0.2 -1,-0.2 0.262 93.5 110.7 -97.8 11.5 9.3 24.9 17.9 637 295 B S < - 0 0 44 -3,-0.6 4,-0.0 -4,-0.2 3,-0.0 -0.719 43.5-171.0 -95.7 138.0 13.0 24.1 17.8 638 296 B K S S+ 0 0 165 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.107 70.7 54.0-111.1 15.0 14.5 21.5 20.2 639 297 B A S S- 0 0 40 -23,-0.1 2,-0.2 -273,-0.1 -234,-0.0 -0.992 88.7 -99.4-148.3 151.7 18.2 22.3 19.3 640 298 B V - 0 0 55 -2,-0.3 2,-0.6 1,-0.1 -24,-0.2 -0.466 21.2-165.6 -75.1 133.4 20.3 25.4 19.2 641 299 B A >> - 0 0 5 -2,-0.2 3,-1.5 -25,-0.1 4,-0.6 -0.901 7.6-169.7-114.8 94.9 21.0 27.1 15.9 642 300 B E H 3> S+ 0 0 21 -2,-0.6 4,-1.9 1,-0.3 -173,-0.3 0.741 77.5 68.0 -60.8 -32.1 23.9 29.4 16.8 643 301 B G H 3> S+ 0 0 0 -90,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.794 91.6 63.1 -57.4 -32.5 23.8 31.3 13.6 644 302 B V H <4 S+ 0 0 14 -3,-1.5 4,-0.5 1,-0.2 3,-0.3 0.964 112.8 32.1 -59.8 -51.3 20.4 32.9 14.6 645 303 B A H < S+ 0 0 11 -4,-0.6 3,-0.2 1,-0.2 -1,-0.2 0.745 118.0 57.9 -80.0 -22.1 21.8 34.7 17.7 646 304 B T H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.767 87.2 76.5 -74.7 -28.6 25.2 35.2 16.0 647 305 B A H X S+ 0 0 1 -4,-1.5 4,-1.8 -3,-0.3 -1,-0.2 0.864 96.2 44.8 -58.9 -42.3 23.9 37.1 13.0 648 306 B D H > S+ 0 0 33 -4,-0.5 4,-2.1 -3,-0.2 5,-0.2 0.978 116.0 42.5 -70.0 -57.6 23.3 40.5 14.8 649 307 B P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.834 111.8 58.1 -59.0 -29.3 26.6 40.7 16.8 650 308 B L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.937 106.9 47.4 -61.3 -47.9 28.5 39.5 13.7 651 309 B M H X S+ 0 0 57 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.911 112.4 49.3 -59.1 -44.6 27.1 42.5 11.7 652 310 B R H X S+ 0 0 78 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.891 111.6 49.1 -64.5 -38.8 28.0 44.9 14.5 653 311 B L H X S+ 0 0 12 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.903 112.0 48.1 -66.7 -40.7 31.5 43.5 14.7 654 312 B A H X>S+ 0 0 6 -4,-2.4 5,-2.7 2,-0.2 4,-0.6 0.898 110.9 50.5 -69.4 -41.0 32.0 43.8 11.0 655 313 B K H ><5S+ 0 0 160 -4,-2.5 3,-0.9 3,-0.2 -2,-0.2 0.932 109.6 52.3 -57.9 -48.9 30.7 47.4 10.9 656 314 B Q H 3<5S+ 0 0 138 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.857 117.2 37.6 -51.3 -43.8 33.1 48.2 13.8 657 315 B L H 3<5S- 0 0 61 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.387 109.8-121.2 -94.3 0.5 36.1 46.8 11.8 658 316 B K T <<5 + 0 0 184 -3,-0.9 2,-0.6 -4,-0.6 -3,-0.2 0.866 58.1 153.4 58.0 41.9 34.8 48.0 8.4 659 317 B V < - 0 0 22 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.895 40.0-138.6-103.3 122.0 34.7 44.5 6.9 660 318 B K + 0 0 176 -2,-0.6 -75,-0.1 1,-0.1 -74,-0.1 -0.677 26.2 171.9 -80.5 128.1 32.2 44.0 4.1 661 319 B M > + 0 0 13 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.688 2.7 177.0-134.8 75.4 30.3 40.7 4.4 662 320 B P H > S+ 0 0 72 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.841 78.6 43.2 -55.6 -44.2 27.7 40.9 1.7 663 321 B L H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.945 116.1 47.0 -66.0 -50.4 26.2 37.4 2.2 664 322 B C H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.831 109.6 56.5 -62.0 -31.2 26.2 37.6 6.0 665 323 B H H X S+ 0 0 74 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.953 109.1 44.2 -66.1 -48.1 24.6 41.1 5.8 666 324 B Q H X S+ 0 0 27 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.829 112.8 51.9 -65.2 -32.0 21.7 39.8 3.8 667 325 B I H X S+ 0 0 7 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.913 108.5 51.3 -70.1 -43.5 21.3 36.8 6.0 668 326 B Y H X>S+ 0 0 22 -4,-2.4 4,-3.0 2,-0.2 5,-0.7 0.901 108.3 52.5 -54.9 -44.3 21.2 39.1 9.0 669 327 B E H X5S+ 0 0 31 -4,-2.1 6,-2.2 1,-0.2 4,-1.3 0.911 113.5 43.9 -60.0 -43.4 18.5 41.2 7.3 670 328 B I H X5S+ 0 0 15 -4,-2.0 4,-0.6 4,-0.2 -2,-0.2 0.938 120.3 40.1 -64.0 -49.3 16.4 38.0 6.8 671 329 B V H <5S+ 0 0 8 -4,-3.1 -2,-0.2 1,-0.1 -3,-0.2 0.905 132.8 18.4 -70.8 -43.4 17.0 36.6 10.3 672 330 B Y H <5S+ 0 0 81 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.658 130.2 40.2-107.8 -24.6 16.7 39.9 12.4 673 331 B K H <> - 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