==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/TRANSPORT PROTEIN 30-JUL-11 3B2E . COMPND 2 MOLECULE: ATPASE GET3; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR K.KUBOTA,A.YAMAGATA,S.FUKAI . 1534 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 75496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1094 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 136 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 199 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 534 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.3 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 12 6 6 0 6 1 0 0 1 0 8 0 1 6 2 0 8 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 16 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 3 A L 0 0 221 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 44.9 58.4 45.7 -16.4 2 4 A T - 0 0 115 1,-0.1 2,-0.3 264,-0.0 264,-0.1 -0.204 360.0-100.0 -78.6 173.1 61.8 44.9 -14.8 3 5 A V - 0 0 55 262,-0.4 266,-0.1 264,-0.2 -1,-0.1 -0.766 37.6 -97.8-103.0 146.7 62.6 41.7 -12.9 4 6 A E - 0 0 96 -2,-0.3 2,-2.8 1,-0.1 5,-0.1 -0.380 25.6-134.4 -63.5 121.4 62.8 41.4 -9.1 5 7 A P S S+ 0 0 53 0, 0.0 266,-0.4 0, 0.0 2,-0.3 -0.158 81.9 58.9 -71.5 51.7 66.3 41.6 -7.7 6 8 A N S S- 0 0 0 -2,-2.8 3,-0.3 264,-0.1 287,-0.2 -0.957 88.0-109.1-162.9 175.8 65.7 38.6 -5.4 7 9 A L S >> S+ 0 0 0 285,-3.2 4,-2.7 -2,-0.3 3,-1.4 0.168 75.7 117.2-101.5 15.9 64.7 34.9 -5.4 8 10 A H H 3> S+ 0 0 77 285,-0.5 4,-1.7 1,-0.3 5,-0.3 0.908 72.6 56.7 -48.9 -48.7 61.3 35.6 -3.9 9 11 A S H 3> S+ 0 0 56 -3,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.774 113.5 39.8 -54.9 -31.3 59.6 34.2 -7.0 10 12 A L H <4 S+ 0 0 15 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.818 112.4 52.0 -89.9 -36.3 61.4 30.9 -6.6 11 13 A I H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.723 117.6 43.2 -71.1 -17.8 61.2 30.5 -2.8 12 14 A T H < S+ 0 0 70 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.705 89.9 112.5 -95.8 -28.6 57.5 31.1 -3.3 13 15 A S < - 0 0 16 -4,-0.7 -3,-0.1 -5,-0.3 179,-0.0 -0.082 43.5-171.8 -48.4 146.2 57.1 28.8 -6.3 14 16 A T S S+ 0 0 99 3,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.601 76.2 66.1-113.5 -22.2 55.1 25.7 -5.8 15 17 A T S S+ 0 0 58 2,-0.0 177,-0.1 179,-0.0 -2,-0.0 0.881 78.1 93.5 -69.5 -45.1 55.9 24.1 -9.2 16 18 A H + 0 0 26 1,-0.1 178,-0.2 -6,-0.1 177,-0.2 -0.123 34.3 165.7 -56.0 147.1 59.7 23.4 -8.8 17 19 A K + 0 0 93 176,-3.8 119,-2.6 1,-0.3 2,-0.4 0.497 66.7 50.4-131.9 -26.5 60.9 20.1 -7.5 18 20 A W E +ab 136 194A 30 175,-3.0 177,-1.5 117,-0.2 2,-0.4 -0.981 58.7 176.2-124.0 126.7 64.6 20.3 -8.4 19 21 A I E -ab 137 195A 0 117,-2.1 119,-3.4 -2,-0.4 2,-0.4 -0.988 10.2-161.7-133.9 125.0 67.0 23.2 -7.6 20 22 A F E -ab 138 196A 4 175,-2.6 177,-3.3 -2,-0.4 2,-0.4 -0.895 3.9-171.1-109.7 133.5 70.7 23.3 -8.4 21 23 A V E +ab 139 197A 0 117,-2.6 119,-0.7 -2,-0.4 2,-0.3 -0.985 20.5 154.1-121.6 124.9 73.1 25.8 -6.7 22 24 A G E + b 0 198A 1 175,-1.9 177,-2.4 -2,-0.4 2,-0.1 -0.991 13.4 149.2-152.3 161.1 76.7 26.0 -8.0 23 25 A G - 0 0 10 -2,-0.3 4,-0.3 117,-0.2 6,-0.3 -0.481 31.4-130.2 169.7 116.9 79.8 28.2 -8.3 24 26 A K S S+ 0 0 38 -2,-0.1 119,-0.1 182,-0.1 2,-0.1 -0.335 73.0 43.0 -74.6 156.9 83.6 27.6 -8.5 25 27 A G S S- 0 0 20 1,-0.1 2,-2.3 175,-0.1 3,-0.4 -0.087 112.0 -64.1 90.9 163.2 86.1 29.5 -6.3 26 28 A G S S+ 0 0 56 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.295 89.5 132.0 -81.1 61.5 85.4 30.2 -2.6 27 29 A V S S- 0 0 3 -2,-2.3 -1,-0.2 -4,-0.3 173,-0.2 0.708 80.4 -86.1 -87.2 -22.4 82.3 32.4 -3.5 28 30 A G S > S+ 0 0 16 -3,-0.4 4,-2.7 -5,-0.3 5,-0.3 0.631 72.7 143.1 123.4 24.4 79.6 31.1 -1.2 29 31 A K H > S+ 0 0 18 -6,-0.3 4,-3.2 -4,-0.3 5,-0.2 0.975 79.2 45.0 -56.1 -58.6 78.0 28.1 -3.0 30 32 A T H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.913 114.4 48.3 -52.5 -51.1 77.5 26.1 0.2 31 33 A T H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.905 114.4 45.6 -57.8 -45.5 76.2 29.1 2.1 32 34 A S H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 5,-0.4 0.914 109.1 57.0 -65.8 -40.8 73.8 30.0 -0.6 33 35 A S H X S+ 0 0 0 -4,-3.2 4,-1.7 -5,-0.3 -2,-0.2 0.944 111.8 41.6 -54.6 -49.6 72.8 26.4 -0.9 34 36 A C H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.937 114.4 52.5 -63.9 -46.0 71.8 26.3 2.7 35 37 A S H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.919 108.8 47.7 -57.7 -47.3 70.1 29.8 2.4 36 38 A I H X S+ 0 0 0 -4,-3.4 4,-2.2 2,-0.2 -1,-0.2 0.902 115.6 49.2 -60.9 -37.8 68.0 28.9 -0.5 37 39 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.4 5,-0.2 0.996 112.6 43.0 -62.9 -65.7 67.0 25.7 1.3 38 40 A I H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.897 114.6 52.5 -47.0 -48.1 66.1 27.3 4.7 39 41 A Q H X S+ 0 0 19 -4,-2.7 4,-1.7 -5,-0.3 -1,-0.2 0.941 111.1 45.5 -56.9 -49.2 64.3 30.1 2.9 40 42 A M H < S+ 0 0 2 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.881 113.1 51.7 -62.0 -39.3 62.2 27.7 0.9 41 43 A A H >< S+ 0 0 1 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.930 109.9 47.1 -63.0 -47.8 61.5 25.5 3.9 42 44 A L H 3< S+ 0 0 82 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.818 112.0 51.6 -65.8 -29.8 60.3 28.4 6.1 43 45 A S T 3< S+ 0 0 54 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.456 115.4 38.3 -89.1 -0.3 58.0 29.8 3.3 44 46 A Q < + 0 0 16 -3,-1.1 -1,-0.2 -4,-0.4 3,-0.2 -0.539 61.2 171.8-148.6 74.7 56.2 26.5 2.6 45 47 A P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.783 76.2 61.1 -54.3 -35.1 55.5 24.5 5.9 46 48 A N S S+ 0 0 134 2,-0.1 -2,-0.0 34,-0.0 -5,-0.0 0.969 94.3 69.8 -59.2 -58.6 53.3 22.0 4.1 47 49 A K S S- 0 0 33 -3,-0.2 2,-0.4 1,-0.1 -3,-0.1 -0.136 78.6-130.9 -61.4 156.6 56.0 20.7 1.8 48 50 A Q - 0 0 20 84,-0.2 86,-1.6 33,-0.0 87,-1.3 -0.930 24.3-152.6-112.7 134.3 59.0 18.6 2.9 49 51 A F E -cd 81 135A 1 31,-4.2 33,-1.7 -2,-0.4 2,-0.4 -0.824 13.1-163.3-117.5 151.5 62.6 19.5 1.8 50 52 A L E -cd 82 136A 0 85,-1.9 87,-3.0 -2,-0.3 2,-0.6 -0.988 2.8-165.6-131.4 125.6 66.0 17.8 1.2 51 53 A L E -cd 83 137A 0 31,-3.3 33,-2.5 -2,-0.4 2,-0.4 -0.947 20.7-175.0-109.4 112.3 69.4 19.6 0.9 52 54 A I E -cd 84 138A 0 85,-2.4 87,-2.4 -2,-0.6 2,-0.4 -0.905 9.0-168.1-116.4 140.6 71.9 17.1 -0.5 53 55 A S E -cd 85 139A 0 31,-2.4 33,-1.6 -2,-0.4 87,-0.1 -0.983 18.9-166.9-130.8 135.1 75.6 17.5 -1.1 54 56 A T + 0 0 34 85,-0.7 35,-0.2 -2,-0.4 -1,-0.1 0.740 53.0 121.5 -86.5 -23.9 78.1 15.4 -3.0 55 57 A D > - 0 0 23 84,-0.4 3,-1.0 1,-0.1 4,-0.2 -0.086 55.8-149.1 -46.2 129.0 81.2 17.1 -1.5 56 58 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 0.760 92.6 69.6 -70.4 -29.6 83.6 14.7 0.4 57 59 A A T 3 S- 0 0 51 674,-0.1 5,-0.1 1,-0.0 -2,-0.1 0.465 104.7-126.4 -71.5 -0.8 84.6 17.4 2.8 58 60 A H <> + 0 0 83 -3,-1.0 4,-0.8 28,-0.1 10,-0.1 0.974 43.1 169.7 50.1 69.0 81.2 17.3 4.4 59 61 A N H >> + 0 0 18 2,-0.2 4,-3.0 1,-0.2 3,-0.9 0.933 67.3 58.9 -76.3 -50.9 80.4 21.0 4.1 60 62 A L H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.856 105.9 54.2 -48.9 -35.1 76.7 21.1 5.0 61 63 A S H 3>>S+ 0 0 14 2,-0.2 4,-1.6 1,-0.2 5,-1.2 0.876 110.9 44.0 -66.9 -37.7 77.8 19.6 8.3 62 64 A D H <<5S+ 0 0 87 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.915 111.4 55.2 -70.4 -44.3 80.3 22.4 8.8 63 65 A A H <5S+ 0 0 9 -4,-3.0 218,-3.8 1,-0.2 -2,-0.2 0.887 119.5 29.5 -54.7 -49.9 77.7 25.0 7.7 64 66 A F H <5S- 0 0 15 -4,-2.2 218,-0.4 -5,-0.2 -1,-0.2 0.725 102.8-122.9 -86.6 -25.1 75.1 24.0 10.2 65 67 A G T <5S+ 0 0 65 -4,-1.6 2,-0.3 1,-0.4 -3,-0.2 0.797 76.1 110.7 83.7 29.8 77.3 22.7 13.0 66 68 A E S - 0 0 4 6,-2.6 3,-2.9 -2,-0.4 2,-1.0 -0.449 39.5-115.1 -66.8 125.1 68.0 20.1 10.7 76 78 A T T 3 S+ 0 0 93 -2,-0.3 -1,-0.1 1,-0.3 206,-0.1 -0.446 107.0 22.5 -61.1 98.2 67.9 20.7 14.4 77 79 A G T 3 S+ 0 0 67 -2,-1.0 -1,-0.3 1,-0.5 2,-0.1 0.217 110.3 87.0 125.7 -11.1 65.6 23.6 14.7 78 80 A M < - 0 0 25 -3,-2.9 -1,-0.5 3,-0.2 -4,-0.1 -0.346 57.1-156.0-104.7-171.9 63.8 23.1 11.4 79 81 A N S S+ 0 0 124 -2,-0.1 -1,-0.1 -3,-0.1 3,-0.0 0.482 87.4 21.4-144.3 -15.9 60.7 21.1 10.5 80 82 A N S S+ 0 0 10 -32,-0.1 -31,-4.2 -5,-0.1 2,-0.5 0.178 97.6 95.9-142.3 13.7 60.8 20.3 6.8 81 83 A L E +c 49 0A 0 -6,-0.2 -6,-2.6 -33,-0.2 2,-0.4 -0.947 46.7 176.2-112.3 124.2 64.5 20.7 5.9 82 84 A S E -cE 50 74A 2 -33,-1.7 -31,-3.3 -2,-0.5 2,-0.3 -0.993 15.2-149.5-130.9 130.0 66.6 17.6 5.9 83 85 A C E -cE 51 73A 0 -10,-0.8 -10,-1.3 -2,-0.4 2,-0.4 -0.767 11.4-174.6-101.9 146.4 70.3 17.4 4.9 84 86 A M E -c 52 0A 0 -33,-2.5 -31,-2.4 -2,-0.3 2,-0.5 -0.978 5.7-167.3-143.0 124.0 72.0 14.5 3.3 85 87 A E E +c 53 0A 4 -16,-2.4 2,-0.3 -2,-0.4 -31,-0.2 -0.936 20.4 160.4-116.5 112.0 75.8 14.1 2.6 86 88 A I - 0 0 7 -33,-1.6 -28,-0.1 -2,-0.5 -2,-0.0 -0.884 34.0-138.4-129.8 159.8 76.9 11.3 0.3 87 89 A D > + 0 0 48 -2,-0.3 4,-0.9 1,-0.1 3,-0.2 -0.944 17.9 176.8-119.6 109.1 79.9 10.3 -1.8 88 90 A P H > S+ 0 0 9 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.675 76.0 67.0 -81.6 -23.9 79.0 8.8 -5.2 89 91 A S H 4 S+ 0 0 20 640,-0.2 641,-0.1 -35,-0.2 640,-0.1 0.754 108.1 41.4 -68.0 -24.2 82.6 8.5 -6.5 90 92 A A H 4 S+ 0 0 45 -3,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.768 113.3 49.8 -93.1 -33.2 83.2 5.9 -3.8 91 93 A A H >X S+ 0 0 12 -4,-0.9 4,-1.2 1,-0.2 3,-0.8 0.864 111.5 48.4 -74.9 -37.1 80.0 3.9 -4.0 92 94 A L T 3< S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.612 106.9 60.4 -76.6 -12.8 80.2 3.5 -7.8 93 95 A K T 34 S+ 0 0 84 -5,-0.1 3,-0.3 1,-0.1 -1,-0.2 0.565 100.9 53.3 -89.9 -12.9 83.8 2.4 -7.2 94 96 A D T X4 S+ 0 0 100 -3,-0.8 3,-1.1 -4,-0.3 -2,-0.2 0.880 102.3 52.3 -89.3 -46.1 82.8 -0.6 -5.1 95 97 A M T 3< S+ 0 0 144 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.006 108.9 59.6 -79.4 30.6 80.3 -2.3 -7.3 96 98 A N T 3 0 0 70 -3,-0.3 -1,-0.3 -5,-0.1 4,-0.1 -0.178 360.0 360.0-148.1 36.1 83.2 -2.1 -9.8 97 99 A D < 0 0 145 -3,-1.1 -3,-0.0 0, 0.0 -4,-0.0 -0.987 360.0 360.0-125.0 360.0 85.8 -4.1 -7.9 98 ! 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 99 126 A L > 0 0 141 0, 0.0 3,-1.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-152.4 85.0 -3.1 -17.3 100 127 A A T >> + 0 0 14 1,-0.3 3,-4.9 2,-0.1 4,-1.1 0.524 360.0 114.1 -60.8 -1.9 84.2 0.6 -17.1 101 128 A D H 3> S+ 0 0 35 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.792 72.2 52.3 -40.4 -36.4 86.5 0.9 -20.1 102 129 A L H <> S+ 0 0 74 -3,-1.3 4,-1.0 1,-0.2 -1,-0.3 0.584 103.9 61.5 -83.6 0.0 83.5 1.9 -22.2 103 130 A T H <4 S+ 0 0 20 -3,-4.9 6,-0.4 2,-0.2 3,-0.3 0.938 105.1 41.2 -82.3 -56.9 82.8 4.6 -19.6 104 131 A G H < S+ 0 0 39 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.711 114.2 58.6 -64.3 -17.8 86.0 6.6 -19.9 105 132 A S H < S+ 0 0 58 -4,-0.8 -1,-0.2 -5,-0.4 -2,-0.2 0.891 104.7 51.7 -76.6 -41.9 85.6 6.0 -23.6 106 133 A I S >< S- 0 0 28 -4,-1.0 3,-1.2 -3,-0.3 2,-0.4 -0.876 89.3-130.0-102.5 117.1 82.2 7.8 -23.7 107 134 A P T 3 S+ 0 0 85 0, 0.0 -3,-0.1 0, 0.0 48,-0.1 -0.491 88.0 27.1 -68.9 119.0 82.1 11.3 -22.2 108 135 A G T 3> S+ 0 0 4 -2,-0.4 4,-2.3 -5,-0.1 5,-0.2 0.134 88.1 98.5 120.5 -21.4 79.2 11.7 -19.7 109 136 A I H <> S+ 0 0 10 -3,-1.2 4,-3.2 -6,-0.4 5,-0.3 0.995 78.7 55.0 -61.9 -66.0 78.6 8.1 -18.5 110 137 A D H > S+ 0 0 23 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.800 113.2 46.7 -34.0 -43.8 80.6 8.3 -15.2 111 138 A E H > S+ 0 0 25 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.982 111.7 46.4 -65.7 -61.6 78.4 11.3 -14.4 112 139 A A H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.867 116.7 49.1 -49.6 -38.5 75.0 9.9 -15.3 113 140 A L H X S+ 0 0 49 -4,-3.2 4,-1.6 2,-0.2 -1,-0.2 0.972 111.7 45.8 -65.8 -56.0 76.1 6.8 -13.4 114 141 A S H X S+ 0 0 26 -4,-2.8 4,-0.9 -5,-0.3 -2,-0.2 0.809 112.9 52.7 -58.1 -32.4 77.2 8.7 -10.3 115 142 A F H >X S+ 0 0 13 -4,-3.0 4,-2.4 2,-0.2 3,-0.8 0.937 108.3 46.7 -70.4 -49.5 74.0 10.8 -10.4 116 143 A M H 3X S+ 0 0 43 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.780 105.5 62.7 -63.8 -25.1 71.6 7.8 -10.5 117 144 A E H 3X S+ 0 0 25 -4,-1.6 4,-1.7 2,-0.2 -1,-0.3 0.864 108.2 43.0 -66.4 -33.4 73.6 6.3 -7.7 118 145 A V H X S+ 0 0 99 -4,-2.2 4,-2.4 -5,-0.2 3,-1.2 0.934 104.3 47.9 -63.7 -46.3 65.7 4.5 -0.5 125 152 A Q H 3X S+ 0 0 20 -4,-0.8 4,-1.6 -3,-0.5 5,-0.3 0.885 107.2 56.0 -59.9 -41.4 65.5 7.0 2.3 126 153 A E H 3< S+ 0 0 53 -4,-2.0 -1,-0.3 3,-0.2 -2,-0.2 0.585 112.3 45.9 -68.2 -10.0 61.9 7.8 1.2 127 154 A Q H <4 S+ 0 0 149 -3,-1.2 -2,-0.2 -4,-0.4 3,-0.2 0.889 113.9 41.0 -94.3 -64.0 61.2 4.1 1.6 128 155 A D H < S+ 0 0 130 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.691 130.1 35.2 -58.9 -20.1 62.8 3.2 5.0 129 156 A E S < S- 0 0 110 -4,-1.6 -1,-0.3 -5,-0.3 -3,-0.2 0.573 95.6-143.4-108.8 -16.7 61.4 6.5 6.2 130 157 A G + 0 0 65 -5,-0.3 2,-0.4 1,-0.2 -3,-0.2 0.904 57.6 130.4 51.4 44.7 58.2 6.5 4.2 131 158 A E - 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g 0 273A 0 40,-2.4 42,-2.8 -3,-0.3 -1,-0.2 -0.470 26.2-155.9 -77.7 149.8 79.5 42.5 -1.6 233 275 A L - 0 0 12 40,-0.2 41,-0.2 -2,-0.1 -1,-0.1 0.959 6.5-169.5 -84.7 -67.7 80.8 45.4 0.6 234 276 A F > + 0 0 23 39,-0.1 3,-2.3 2,-0.1 13,-0.1 0.856 23.0 176.6 72.7 39.4 78.5 48.5 -0.0 235 277 A A G > + 0 0 16 1,-0.3 3,-2.0 2,-0.2 5,-0.2 0.798 64.5 66.8 -48.4 -40.7 81.3 50.3 1.9 236 278 A E G 3 S+ 0 0 147 1,-0.3 -1,-0.3 11,-0.1 5,-0.1 0.758 95.1 62.4 -52.2 -27.0 79.8 53.8 1.6 237 279 A N G < S+ 0 0 69 -3,-2.3 -1,-0.3 3,-0.1 -2,-0.2 0.160 78.2 110.5 -90.0 18.3 77.0 52.6 3.8 238 280 A D S < S- 0 0 53 -3,-2.0 3,-0.1 1,-0.1 64,-0.0 -0.478 88.5-100.7 -85.9 164.3 79.0 51.8 6.9 239 281 A Q S S- 0 0 175 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.761 100.2 -10.4 -57.0 -23.4 78.7 53.9 10.1 240 282 A E S S- 0 0 143 -5,-0.2 2,-0.4 0, 0.0 -1,-0.2 -0.881 73.4 -94.2-179.1 146.0 82.0 55.6 9.0 241 283 A H + 0 0 93 -2,-0.3 3,-0.1 1,-0.2 -5,-0.0 -0.475 58.8 133.7 -64.3 114.8 85.0 55.7 6.6 242 284 A N + 0 0 88 -2,-0.4 2,-0.3 1,-0.4 -1,-0.2 0.561 53.9 49.3-124.8 -79.3 88.0 53.9 8.2 243 285 A C > - 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0 0 82 -2,-0.7 -3,-0.1 -3,-0.2 2,-0.1 -0.177 34.4-102.1 -54.0 138.0 10.3 -3.4 -4.9 1469 338 D Y < - 0 0 21 -5,-0.6 -1,-0.1 -25,-0.6 -25,-0.1 -0.384 28.8-155.6 -64.0 131.8 13.5 -4.8 -3.5 1470 339 D N > - 0 0 61 -2,-0.1 4,-1.8 1,-0.1 5,-0.3 -0.950 6.8-152.0-114.1 112.3 15.1 -2.8 -0.7 1471 340 D P T 4 S+ 0 0 45 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.744 92.8 50.1 -51.1 -33.8 18.9 -3.4 -0.5 1472 341 D I T >4 S+ 0 0 140 2,-0.1 3,-0.9 3,-0.1 4,-0.2 0.990 122.6 23.1 -68.2 -78.9 18.9 -2.6 3.2 1473 342 D T G >4 S+ 0 0 84 1,-0.2 3,-0.8 2,-0.1 4,-0.2 0.950 128.0 44.1 -55.0 -60.6 16.1 -4.8 4.5 1474 343 D D G 3X S+ 0 0 23 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.422 78.8 110.6 -70.8 0.7 16.0 -7.5 1.8 1475 344 D G G X4 S+ 0 0 14 -3,-0.9 3,-0.5 -5,-0.3 -1,-0.2 0.799 78.1 49.9 -46.4 -34.6 19.8 -7.8 1.7 1476 345 D K G X4 S+ 0 0 146 -3,-0.8 3,-3.2 -4,-0.2 4,-0.3 0.970 95.8 66.6 -70.1 -55.2 19.5 -11.3 3.2 1477 346 D V G 34 S+ 0 0 35 1,-0.3 3,-0.3 -4,-0.2 -1,-0.2 0.571 93.9 62.5 -44.2 -15.5 16.9 -12.8 0.9 1478 347 D I G << S+ 0 0 7 -4,-0.6 -29,-1.1 -3,-0.5 -1,-0.3 0.309 101.6 52.5 -96.1 8.5 19.3 -12.6 -2.0 1479 348 D Y S < S+ 0 0 70 -3,-3.2 -2,-0.2 -31,-0.1 -1,-0.2 0.298 83.0 81.7-121.2 2.1 21.7 -15.0 -0.2 1480 349 D E S S+ 0 0 94 -3,-0.3 2,-0.5 -4,-0.3 -2,-0.1 0.418 84.5 73.6 -85.2 1.6 19.2 -17.8 0.5 1481 350 D L 0 0 6 1,-0.1 -1,-0.2 -24,-0.0 -24,-0.0 -0.701 360.0 360.0-116.6 75.3 20.0 -18.8 -3.1 1482 351 D E 0 0 125 -2,-0.5 -1,-0.1 -3,-0.1 -31,-0.1 0.172 360.0 360.0-117.8 360.0 23.5 -20.3 -3.0 1483 !* 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 1484 34 H P 0 0 102 0, 0.0 58,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -99.1 5.9 23.4 -55.1 1485 35 H G + 0 0 74 3,-0.1 0, 0.0 2,-0.1 0, 0.0 0.251 360.0 30.2-102.6 10.5 8.2 26.5 -55.4 1486 36 H N S > S+ 0 0 80 3,-0.1 4,-1.7 4,-0.0 5,-0.2 0.594 124.5 35.6-131.7 -47.9 7.5 27.3 -51.7 1487 37 H E T 4>S+ 0 0 94 1,-0.2 5,-0.5 2,-0.2 4,-0.5 0.731 115.2 53.1 -88.5 -24.3 6.8 24.2 -49.7 1488 38 H L T 45S+ 0 0 14 3,-0.2 -1,-0.2 2,-0.1 -3,-0.1 0.426 122.0 33.2 -88.7 2.1 9.2 21.8 -51.4 1489 39 H S T >5S+ 0 0 59 -3,-0.2 4,-0.8 3,-0.1 5,-0.3 0.702 118.8 43.6-117.4 -60.4 12.0 24.4 -50.8 1490 40 H K H X5S+ 0 0 139 -4,-1.7 4,-1.1 2,-0.2 -3,-0.2 0.727 125.7 38.8 -62.8 -20.6 11.4 26.2 -47.5 1491 41 H K H >5S+ 0 0 60 -4,-0.5 4,-2.5 -5,-0.2 5,-0.4 0.910 110.0 53.2 -91.9 -60.2 10.5 22.8 -46.0 1492 42 H Y H 4 S+ 0 0 28 -5,-0.4 4,-1.0 1,-0.3 -2,-0.2 0.763 120.0 46.7 -45.8 -24.8 17.2 18.9 -43.7 1497 47 H K H X S+ 0 0 123 -4,-2.8 4,-0.8 2,-0.2 -1,-0.3 0.913 112.5 45.2 -84.9 -47.3 19.0 21.9 -42.2 1498 48 H E H X S+ 0 0 86 -4,-2.4 4,-1.8 -5,-0.4 3,-0.5 0.898 113.6 51.7 -62.1 -41.2 17.7 21.6 -38.7 1499 49 H R H X S+ 0 0 44 -4,-3.5 4,-3.3 1,-0.3 3,-0.4 0.937 110.2 48.1 -58.5 -48.1 18.4 17.9 -38.7 1500 50 H H H < S+ 0 0 22 -4,-1.0 4,-0.5 -5,-0.4 -1,-0.3 0.643 111.3 52.7 -67.4 -15.0 21.9 18.6 -39.8 1501 51 H E H < S+ 0 0 94 -4,-0.8 4,-0.4 -3,-0.5 -1,-0.2 0.733 113.2 42.1 -90.2 -27.7 22.0 21.2 -37.0 1502 52 H L H >X S+ 0 0 20 -4,-1.8 4,-2.6 -3,-0.4 3,-1.6 0.918 107.4 59.1 -81.9 -50.1 21.0 18.7 -34.4 1503 53 H K H 3X S+ 0 0 62 -4,-3.3 4,-1.1 1,-0.3 -3,-0.2 0.821 107.7 48.7 -47.7 -36.3 23.1 15.8 -35.7 1504 54 H E H 34 S+ 0 0 74 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.742 111.2 50.1 -77.8 -23.1 26.1 18.1 -35.1 1505 55 H F H X4 S+ 0 0 111 -3,-1.6 3,-0.9 -4,-0.4 -2,-0.2 0.795 104.9 56.8 -82.6 -30.8 24.8 18.9 -31.6 1506 56 H N H >< S+ 0 0 3 -4,-2.6 3,-1.4 1,-0.3 2,-0.3 0.857 97.7 62.7 -68.3 -34.6 24.3 15.3 -30.7 1507 57 H N T 3< S+ 0 0 73 -4,-1.1 -1,-0.3 -5,-0.3 -652,-0.2 -0.008 95.1 64.7 -81.3 33.4 28.0 14.6 -31.4 1508 58 H S T < S+ 0 0 44 -3,-0.9 2,-0.3 -2,-0.3 -1,-0.3 0.240 92.3 66.5-135.0 6.8 29.0 17.0 -28.6 1509 59 H I S < S- 0 0 44 -3,-1.4 2,-0.7 5,-0.0 -686,-0.0 -0.951 89.0-101.6-131.1 151.1 27.5 15.1 -25.6 1510 60 H S > - 0 0 25 -2,-0.3 4,-3.2 1,-0.2 8,-0.2 -0.614 17.6-155.5 -75.9 112.6 28.5 11.8 -24.0 1511 61 H A T 4 S+ 0 0 9 -2,-0.7 -1,-0.2 1,-0.2 8,-0.1 0.615 100.9 49.2 -60.8 -7.1 26.0 9.2 -25.1 1512 62 H Q T >4 S+ 0 0 74 2,-0.1 3,-0.6 3,-0.1 -1,-0.2 0.849 115.6 34.7 -98.6 -46.4 27.2 7.8 -21.8 1513 63 H D T 34 S+ 0 0 78 1,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.696 132.7 31.5 -82.8 -19.4 26.9 10.7 -19.3 1514 64 H N T 3X + 0 0 57 -4,-3.2 4,-2.3 1,-0.1 5,-0.3 -0.133 68.7 144.8-127.9 35.6 23.8 12.1 -21.0 1515 65 H Y H <> S+ 0 0 2 -3,-0.6 4,-2.9 1,-0.2 5,-0.3 0.863 72.8 63.7 -39.3 -41.7 22.2 8.9 -22.2 1516 66 H A H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.951 112.0 26.9 -44.3 -81.4 19.0 10.8 -21.3 1517 67 H K H >> S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 3,-1.0 0.936 117.6 61.6 -50.5 -57.5 19.3 13.7 -23.8 1518 68 H W H 3X S+ 0 0 16 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.862 107.2 43.3 -38.1 -55.2 21.3 11.8 -26.3 1519 69 H T H 3X S+ 0 0 4 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.3 0.811 112.4 54.9 -66.3 -29.4 18.6 9.2 -26.8 1520 70 H K H X S+ 0 0 102 -4,-2.0 3,-3.1 1,-0.2 4,-1.8 0.987 107.4 51.8 -62.3 -59.2 14.0 13.3 -32.9 1525 75 H L H 3X S+ 0 0 12 -4,-2.8 4,-0.7 1,-0.3 -1,-0.2 0.665 104.4 61.4 -52.3 -16.2 16.5 12.7 -35.7 1526 76 H D H 3< S+ 0 0 90 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.679 106.4 43.7 -85.4 -18.3 14.6 9.5 -36.5 1527 77 H S H XX S+ 0 0 51 -3,-3.1 3,-2.9 -4,-0.5 4,-2.6 0.915 111.4 50.3 -86.6 -56.4 11.4 11.5 -37.2 1528 78 H L H 3< S+ 0 0 10 -4,-1.8 4,-0.3 1,-0.3 -2,-0.2 0.815 105.2 61.8 -51.2 -30.3 13.1 14.2 -39.3 1529 79 H D T 3< S+ 0 0 72 -4,-0.7 -1,-0.3 -5,-0.4 -2,-0.2 0.773 111.3 37.7 -68.2 -24.3 14.7 11.3 -41.2 1530 80 H K T X4 S+ 0 0 149 -3,-2.9 3,-0.8 -4,-0.2 -2,-0.2 0.871 114.1 51.0 -92.6 -43.7 11.2 10.2 -42.1 1531 81 H E T 3< S+ 0 0 63 -4,-2.6 4,-0.3 1,-0.3 -2,-0.2 0.286 112.4 49.6 -78.6 12.0 9.4 13.5 -42.7 1532 82 H I T 3 S+ 0 0 19 -5,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.403 108.3 52.3-117.7 -16.5 12.3 14.5 -45.0 1533 83 H N S < S+ 0 0 89 -3,-0.8 -2,-0.2 -5,-0.2 -3,-0.1 0.369 109.9 51.5 -97.6 -0.0 11.9 11.2 -46.8 1534 84 H N S >> S+ 0 0 98 -4,-0.2 4,-2.1 2,-0.2 3,-1.6 0.778 104.6 51.8 -99.1 -43.9 8.3 12.1 -47.2 1535 85 H L H 3> S+ 0 0 37 1,-0.3 4,-0.8 -4,-0.3 -2,-0.1 0.554 103.0 64.6 -68.8 -6.1 8.9 15.5 -48.7 1536 86 H K H 34 S+ 0 0 105 2,-0.2 -1,-0.3 3,-0.1 -2,-0.2 0.686 110.0 35.3 -86.7 -22.4 11.1 13.6 -51.1 1537 87 H D H <> S+ 0 0 83 -3,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.659 114.6 56.0-100.5 -24.3 8.0 11.8 -52.4 1538 88 H E H < S+ 0 0 125 -4,-2.1 4,-0.2 1,-0.2 -3,-0.2 0.819 114.7 40.9 -74.4 -32.8 5.7 14.8 -52.1 1539 89 H I T < S+ 0 0 50 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.552 118.2 49.9 -88.6 -13.6 8.2 16.6 -54.3 1540 90 H Q T 4 S+ 0 0 90 2,-0.1 3,-0.3 1,-0.1 -2,-0.2 0.704 106.0 49.8 -99.7 -23.4 8.6 13.6 -56.5 1541 91 H S S X S+ 0 0 65 -4,-1.9 4,-1.1 1,-0.2 3,-0.4 0.541 106.1 61.7 -88.5 -8.1 5.0 12.6 -57.2 1542 92 H E T 4 S+ 0 0 59 -4,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.515 101.2 51.1 -91.0 -11.6 4.5 16.3 -58.2 1543 93 H N T 4 S+ 0 0 88 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.064 108.2 55.1-111.1 19.1 7.1 15.9 -61.0 1544 94 H K T 4 S+ 0 0 140 -3,-0.4 3,-0.3 3,-0.1 -2,-0.2 0.684 116.3 30.1-114.3 -48.9 5.3 12.9 -62.3 1545 95 H A S < S+ 0 0 87 -4,-1.1 -3,-0.1 1,-0.2 -2,-0.1 0.857 112.8 62.4 -80.8 -39.7 1.7 14.2 -62.8 1546 96 H F 0 0 167 -4,-0.4 -1,-0.2 -5,-0.2 -3,-0.1 0.338 360.0 360.0 -66.9 10.3 2.9 17.7 -63.6 1547 97 H Q 0 0 184 -3,-0.3 -3,-0.1 0, 0.0 -4,-0.0 -0.705 360.0 360.0-155.7 360.0 4.5 15.7 -66.4