==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-DEC-09 3L21 . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR G.L.EVANS,L.SCHULDT,G.B.JAMERSON,S.R.DEVENISH,M.S.WEISS,J.A. . 1772 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1338 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 223 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.7 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 . 6 0.3 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 . 109 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 159 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 728 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 56 3.2 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 8 5 1 8 2 1 5 11 3 12 10 6 5 1 0 0 0 2 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 17 19 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 6 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 4 A V 0 0 211 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.0 121.6 154.9 102.0 2 5 A G - 0 0 73 2,-0.1 2,-0.7 1,-0.0 0, 0.0 -0.016 360.0 -55.0 90.7 159.4 119.2 157.8 101.2 3 6 A F - 0 0 108 1,-0.1 2,-1.1 4,-0.0 -1,-0.0 -0.671 49.4-146.6 -82.7 114.0 119.7 161.4 100.2 4 7 A D > - 0 0 93 -2,-0.7 4,-2.6 1,-0.2 3,-0.4 -0.690 16.0-176.0 -85.4 91.1 122.0 163.1 102.8 5 8 A V H >>S+ 0 0 19 -2,-1.1 4,-2.7 1,-0.2 5,-1.1 0.856 79.6 58.3 -59.6 -39.9 120.7 166.7 102.9 6 9 A A H >5S+ 0 0 33 3,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.890 116.5 34.4 -55.9 -45.4 123.4 167.8 105.4 7 10 A A H 45S+ 0 0 64 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.852 123.1 44.1 -76.3 -40.9 126.2 166.8 103.0 8 11 A R H <5S+ 0 0 131 -4,-2.6 -2,-0.2 2,-0.1 -3,-0.2 0.773 132.1 19.2 -80.2 -32.7 124.4 167.6 99.7 9 12 A L H <5S- 0 0 2 -4,-2.7 -3,-0.2 -5,-0.3 2,-0.2 0.689 109.1-115.6-107.6 -33.7 123.0 171.1 100.8 10 13 A G << - 0 0 2 -5,-1.1 -1,-0.2 -4,-0.6 3,-0.1 -0.567 1.7-122.0 125.9 177.0 125.2 172.1 103.8 11 14 A T S S+ 0 0 25 1,-0.3 196,-2.3 -2,-0.2 2,-0.5 0.579 99.6 37.5-127.5 -37.9 124.8 172.7 107.6 12 15 A L E S+a 207 0A 0 194,-0.2 32,-1.6 30,-0.1 33,-1.4 -0.947 73.6 163.3-116.9 109.0 126.0 176.3 107.9 13 16 A L E -ab 208 45A 2 194,-2.3 196,-2.7 -2,-0.5 2,-0.4 -0.921 28.0-143.4-122.0 144.3 125.1 178.5 105.0 14 17 A T E -ab 209 46A 0 31,-0.8 33,-3.3 -2,-0.4 2,-1.6 -0.915 18.1-133.2 -97.7 138.7 125.1 182.3 104.7 15 18 A A E - b 0 47A 0 194,-2.2 33,-0.1 -2,-0.4 198,-0.1 -0.753 46.9-141.9 -81.6 82.6 122.3 183.9 102.7 16 19 A M - 0 0 0 -2,-1.6 33,-0.5 31,-1.2 34,-0.4 -0.174 1.4-121.3 -61.5 135.4 125.1 186.0 101.2 17 20 A V - 0 0 0 193,-0.1 36,-0.3 36,-0.1 -1,-0.1 -0.319 24.5-117.1 -63.9 154.2 124.7 189.6 100.3 18 21 A T - 0 0 2 34,-0.4 2,-0.1 30,-0.1 -1,-0.1 -0.871 29.3-135.5 -97.3 111.4 125.1 190.7 96.8 19 22 A P - 0 0 0 0, 0.0 8,-2.4 0, 0.0 2,-0.3 -0.412 20.5-165.8 -69.1 137.4 128.1 193.1 96.6 20 23 A F B -I 26 0B 5 248,-1.6 6,-0.2 6,-0.2 5,-0.1 -0.913 16.3-122.7-116.4 149.9 127.6 196.3 94.5 21 24 A S > - 0 0 40 4,-3.2 3,-2.1 -2,-0.3 249,-0.3 -0.224 43.2 -84.5 -75.4 175.4 130.3 198.7 93.2 22 25 A G T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.1 248,-0.0 0.837 131.9 48.9 -50.6 -39.0 130.5 202.4 93.9 23 26 A D T 3 S- 0 0 132 2,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.484 122.7-103.7 -82.9 -3.3 128.1 203.1 91.0 24 27 A G S < S+ 0 0 27 -3,-2.1 -2,-0.1 1,-0.3 3,-0.1 0.284 78.0 132.2 99.8 -9.9 125.6 200.4 92.1 25 28 A S - 0 0 52 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.273 69.2 -81.9 -74.4 159.6 126.6 197.8 89.5 26 29 A L B -I 20 0B 22 -6,-0.2 2,-0.7 1,-0.1 -6,-0.2 -0.430 36.9-153.1 -64.7 135.2 127.2 194.1 90.5 27 30 A D > + 0 0 33 -8,-2.4 4,-2.5 1,-0.2 5,-0.1 -0.790 20.5 171.1-115.5 86.5 130.7 193.5 91.9 28 31 A T H > S+ 0 0 46 -2,-0.7 4,-2.6 2,-0.2 5,-0.2 0.791 75.6 61.7 -68.3 -28.0 131.6 189.9 91.1 29 32 A A H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.976 111.9 39.1 -63.1 -49.7 135.2 190.3 92.2 30 33 A T H > S+ 0 0 20 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.899 110.7 58.6 -66.2 -39.1 134.0 191.2 95.7 31 34 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.951 110.2 45.5 -55.4 -44.3 131.2 188.5 95.5 32 35 A A H X S+ 0 0 24 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.936 112.5 49.4 -61.9 -47.1 134.0 186.0 95.0 33 36 A R H X S+ 0 0 39 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.897 113.4 46.8 -58.9 -44.7 136.2 187.4 97.8 34 37 A L H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.914 109.7 52.7 -62.1 -50.8 133.3 187.4 100.2 35 38 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 5,-0.3 0.922 110.8 48.0 -51.2 -46.3 132.2 183.8 99.3 36 39 A N H X S+ 0 0 16 -4,-2.3 4,-2.7 1,-0.2 731,-0.3 0.877 112.4 50.4 -62.0 -37.1 135.9 182.6 100.0 37 40 A H H X S+ 0 0 40 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.929 111.0 46.4 -69.2 -46.4 135.8 184.5 103.3 38 41 A L H <>S+ 0 0 1 -4,-2.8 5,-2.1 2,-0.2 4,-0.4 0.912 116.2 44.7 -65.1 -44.8 132.5 183.0 104.5 39 42 A V H ><5S+ 0 0 17 -4,-2.4 3,-1.8 -5,-0.2 -2,-0.2 0.955 112.4 52.6 -63.1 -47.9 133.5 179.4 103.5 40 43 A D H 3<5S+ 0 0 39 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.824 106.4 54.6 -55.8 -34.0 137.0 179.9 105.0 41 44 A Q T 3<5S- 0 0 79 -4,-1.8 -1,-0.3 -5,-0.1 179,-0.2 0.524 136.3 -79.6 -77.9 -11.5 135.4 181.0 108.3 42 45 A G T < 5S+ 0 0 22 -3,-1.8 2,-0.2 -4,-0.4 -3,-0.2 0.380 83.0 133.9 132.2 -7.1 133.3 177.8 108.5 43 46 A C < - 0 0 3 -5,-2.1 -1,-0.4 1,-0.1 -30,-0.2 -0.557 31.3-168.8 -67.6 135.0 130.3 177.9 106.1 44 47 A D S S+ 0 0 50 -32,-1.6 35,-2.2 -2,-0.2 2,-0.3 0.342 72.6 21.0-105.6 3.7 129.9 174.7 104.1 45 48 A G E -bc 13 79A 0 -33,-1.4 -31,-0.8 33,-0.3 2,-0.3 -0.958 65.3-152.4-156.1 164.6 127.3 176.2 101.8 46 49 A L E -bc 14 80A 0 33,-2.4 35,-2.9 -2,-0.3 2,-0.6 -0.996 11.3-141.5-138.6 145.4 126.0 179.5 100.6 47 50 A V E -bc 15 81A 0 -33,-3.3 -31,-1.2 -2,-0.3 3,-0.4 -0.924 22.0-156.1-101.4 123.6 122.6 180.8 99.4 48 51 A V E S+ c 0 82A 2 33,-3.0 35,-2.5 -2,-0.6 -31,-0.1 -0.794 70.8 5.1 -97.7 141.6 123.0 183.3 96.5 49 52 A S S S+ 0 0 7 -33,-0.5 -1,-0.2 -2,-0.4 -32,-0.1 0.839 86.5 142.3 54.9 38.8 120.3 185.9 95.8 50 53 A G S >S- 0 0 5 -3,-0.4 5,-1.3 -34,-0.4 3,-0.5 -0.146 76.9 -72.1 -77.3-164.0 118.1 185.0 98.8 51 54 A T T > 5S+ 0 0 7 1,-0.2 3,-1.8 2,-0.2 4,-0.1 0.919 138.7 49.4 -58.4 -45.5 116.3 187.9 100.5 52 55 A T T 3 5S+ 0 0 5 1,-0.3 -34,-0.4 2,-0.1 -1,-0.2 0.708 101.7 63.8 -71.3 -19.5 119.5 189.2 102.1 53 56 A G T 3 5S- 0 0 0 -3,-0.5 -1,-0.3 -36,-0.3 -2,-0.2 0.285 117.1-115.6 -82.5 9.3 121.2 189.0 98.7 54 57 A E T X 5 + 0 0 3 -3,-1.8 3,-1.4 1,-0.1 4,-0.4 0.877 49.8 170.0 58.2 44.7 118.7 191.7 97.6 55 58 A S G > < + 0 0 20 -5,-1.3 3,-0.9 1,-0.3 -4,-0.1 0.816 70.0 62.7 -54.9 -33.8 116.9 189.5 95.1 56 59 A P G 3 S+ 0 0 11 0, 0.0 -1,-0.3 0, 0.0 327,-0.1 0.796 107.8 41.4 -64.6 -27.5 114.1 192.1 94.6 57 60 A T G < S+ 0 0 7 -3,-1.4 2,-0.3 2,-0.1 -2,-0.2 0.317 101.1 77.5-105.3 8.2 116.5 194.7 93.2 58 61 A T S < S- 0 0 12 -3,-0.9 2,-0.1 -4,-0.4 -5,-0.0 -0.830 74.6-119.6-112.8 157.0 118.8 192.6 90.9 59 62 A T > - 0 0 79 -2,-0.3 4,-2.8 1,-0.1 5,-0.1 -0.394 27.2-110.0 -85.3 164.0 118.1 191.3 87.4 60 63 A D H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.876 122.6 56.4 -52.9 -42.5 118.0 187.7 86.3 61 64 A G H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.890 109.2 44.1 -59.2 -43.9 121.2 188.5 84.4 62 65 A E H > S+ 0 0 35 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.920 110.8 55.0 -68.7 -41.9 122.9 189.8 87.6 63 66 A K H X S+ 0 0 16 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.911 111.7 44.0 -56.0 -43.9 121.6 186.8 89.6 64 67 A I H X S+ 0 0 23 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.913 112.5 51.7 -73.3 -41.0 123.2 184.4 87.0 65 68 A E H X S+ 0 0 94 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.923 112.0 47.6 -55.8 -43.0 126.4 186.4 86.9 66 69 A L H X S+ 0 0 2 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.949 111.2 49.8 -64.5 -50.2 126.6 186.3 90.7 67 70 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.936 110.2 51.0 -55.2 -51.6 125.9 182.6 90.8 68 71 A R H X S+ 0 0 129 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.931 111.3 48.2 -46.6 -53.1 128.6 181.9 88.1 69 72 A A H X S+ 0 0 18 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.867 113.8 46.7 -62.9 -34.7 131.2 184.0 90.1 70 73 A V H X>S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.6 0.908 110.3 50.9 -76.7 -38.0 130.4 182.2 93.4 71 74 A L H X5S+ 0 0 27 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.909 112.1 50.0 -62.2 -43.4 130.4 178.7 91.9 72 75 A E H <5S+ 0 0 159 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.894 113.4 44.7 -58.1 -46.1 133.8 179.6 90.5 73 76 A A H <5S- 0 0 21 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.921 140.0 -6.0 -69.6 -42.3 135.2 180.9 93.8 74 77 A V H >X5S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.1 3,-1.9 0.372 91.6 111.5-136.6 -3.7 134.0 178.0 96.2 75 78 A G T 3< - 0 0 18 1,-0.2 4,-2.9 482,-0.1 -2,-0.2 -0.962 63.1-163.6-129.6 109.1 105.4 184.7 89.5 89 92 A T H > S+ 0 0 3 480,-1.2 4,-2.4 -2,-0.5 5,-0.2 0.926 90.7 51.5 -58.9 -48.3 105.4 181.0 88.8 90 93 A A H > S+ 0 0 54 479,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.936 114.7 45.1 -55.3 -45.9 106.4 181.4 85.1 91 94 A H H > S+ 0 0 42 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.904 110.6 51.8 -64.7 -47.7 109.3 183.6 86.1 92 95 A S H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.853 109.4 52.6 -55.7 -37.1 110.4 181.3 89.0 93 96 A I H X S+ 0 0 45 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.944 111.4 44.8 -63.4 -49.4 110.4 178.4 86.6 94 97 A R H X S+ 0 0 135 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.897 114.9 47.6 -60.2 -44.7 112.6 180.3 84.1 95 98 A L H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.873 109.7 53.1 -68.7 -39.0 115.0 181.5 86.8 96 99 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.897 110.0 48.6 -65.6 -39.0 115.3 178.0 88.3 97 100 A K H X S+ 0 0 106 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.918 110.4 51.3 -64.2 -42.4 116.2 176.6 84.9 98 101 A A H X S+ 0 0 39 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.913 111.8 46.3 -60.8 -42.2 118.8 179.3 84.4 99 102 A C H X>S+ 0 0 4 -4,-2.3 5,-2.3 2,-0.2 4,-0.6 0.911 113.2 49.3 -66.9 -44.8 120.4 178.6 87.8 100 103 A A H ><5S+ 0 0 30 -4,-2.2 3,-1.2 3,-0.2 -2,-0.2 0.926 111.5 48.7 -55.8 -47.8 120.4 174.9 87.2 101 104 A A H 3<5S+ 0 0 92 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.825 106.9 57.4 -68.2 -27.2 122.0 175.3 83.8 102 105 A E H 3<5S- 0 0 52 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.644 127.2-100.0 -74.8 -16.5 124.6 177.6 85.4 103 106 A G T <<5 + 0 0 36 -3,-1.2 -3,-0.2 -4,-0.6 -23,-0.2 0.606 59.2 168.0 110.5 17.1 125.6 174.7 87.8 104 107 A A < - 0 0 7 -5,-2.3 -23,-0.2 1,-0.1 -1,-0.2 -0.194 32.5-141.4 -58.7 156.1 123.8 175.5 91.1 105 108 A H S S- 0 0 36 -25,-3.8 2,-0.3 1,-0.2 -24,-0.2 0.536 73.8 -16.0 -99.6 -12.3 123.7 172.8 93.7 106 109 A G E -d 81 0A 0 -26,-0.7 -24,-2.6 29,-0.2 2,-0.4 -0.963 66.1-111.7-173.0 172.5 120.1 173.4 95.0 107 110 A L E -de 82 137A 2 29,-2.4 31,-2.6 -2,-0.3 2,-0.5 -0.969 8.2-154.2-123.6 146.8 117.3 175.9 94.9 108 111 A L E -de 83 138A 5 -26,-2.4 -24,-2.1 -2,-0.4 -23,-1.1 -0.981 18.2-169.7-114.4 114.8 115.8 178.0 97.6 109 112 A V E - e 0 139A 0 29,-3.1 31,-2.1 -2,-0.5 2,-0.1 -0.916 7.6-151.1-116.5 108.8 112.1 178.9 96.7 110 113 A V E - e 0 140A 6 -2,-0.6 31,-0.2 29,-0.2 -24,-0.1 -0.418 31.5 -96.6 -75.5 150.2 110.2 181.6 98.8 111 114 A T - 0 0 0 29,-2.1 -1,-0.1 1,-0.1 -24,-0.1 -0.482 56.3 -94.2 -56.4 126.5 106.5 181.5 99.3 112 115 A P - 0 0 0 0, 0.0 4,-0.2 0, 0.0 -25,-0.1 -0.310 51.5-146.5 -45.2 122.6 105.0 184.0 96.7 113 116 A Y + 0 0 3 1,-0.1 2,-2.5 2,-0.1 33,-0.2 -0.384 59.3 13.6 -90.9 165.8 104.7 187.3 98.5 114 117 A Y S S+ 0 0 3 327,-0.6 -1,-0.1 31,-0.3 329,-0.1 -0.164 110.1 66.9 74.5 -49.5 102.2 190.2 98.2 115 118 A S S S- 0 0 14 -2,-2.5 -1,-0.2 235,-0.0 -2,-0.1 0.531 88.5-141.2 -85.3 -9.7 99.4 188.6 96.1 116 119 A K - 0 0 96 30,-0.4 -3,-0.1 -4,-0.2 31,-0.1 0.922 20.7-161.4 51.3 59.8 98.4 186.2 98.9 117 120 A P - 0 0 2 0, 0.0 454,-0.1 0, 0.0 -1,-0.1 -0.370 24.0-103.4 -63.3 154.6 97.6 183.0 96.7 118 121 A P >> - 0 0 47 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.267 37.7 -99.3 -70.0 165.6 95.5 180.3 98.4 119 122 A Q H 3> S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.864 125.6 54.4 -55.8 -41.4 97.2 177.2 99.6 120 123 A R H 3> S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.805 107.8 52.3 -67.2 -26.6 96.3 175.2 96.4 121 124 A G H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.907 110.0 47.5 -67.6 -46.9 97.9 178.0 94.5 122 125 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.887 111.9 50.2 -58.4 -44.7 101.1 177.7 96.6 123 126 A Q H X S+ 0 0 79 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.918 112.6 46.4 -60.6 -47.6 101.0 173.9 96.1 124 127 A A H X S+ 0 0 36 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.879 114.5 49.5 -60.6 -38.5 100.6 174.3 92.3 125 128 A H H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.961 113.1 42.8 -66.1 -55.1 103.5 176.9 92.3 126 129 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.847 114.3 52.1 -62.0 -41.8 106.0 175.0 94.3 127 130 A T H X S+ 0 0 44 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.902 109.3 49.5 -56.9 -50.6 105.2 171.8 92.4 128 131 A A H < S+ 0 0 23 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.852 112.9 46.6 -56.8 -39.2 105.7 173.6 89.0 129 132 A V H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 4,-0.5 0.929 112.4 50.8 -76.1 -39.7 109.1 175.0 90.1 130 133 A A H 3< S+ 0 0 3 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.748 107.8 53.4 -61.4 -28.6 110.1 171.5 91.5 131 134 A D T 3< S+ 0 0 108 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.604 95.3 73.6 -82.0 -13.9 109.2 169.9 88.1 132 135 A A S < S+ 0 0 13 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193 A S E -gh 169 207A 0 16,-2.5 18,-2.7 -2,-0.4 -20,-0.2 -0.576 28.7-177.4 -68.7 125.6 116.6 177.9 110.6 191 194 A G S S+ 0 0 11 -22,-2.3 2,-0.3 -2,-0.4 -1,-0.1 0.054 70.2 62.8-110.7 21.6 115.9 181.0 108.5 192 195 A D S > S- 0 0 62 -23,-0.2 3,-1.9 1,-0.1 -1,-0.1 -0.918 72.3-150.0-143.2 120.4 115.8 183.2 111.6 193 196 A D G > S+ 0 0 2 -2,-0.3 3,-1.2 1,-0.3 4,-0.3 0.756 95.5 64.8 -65.7 -25.8 119.0 183.6 113.6 194 197 A A G 3 S+ 0 0 42 1,-0.3 -1,-0.3 2,-0.1 3,-0.0 0.675 108.6 42.6 -73.5 -14.6 117.1 184.2 116.8 195 198 A L G <> S+ 0 0 37 -3,-1.9 4,-2.6 2,-0.1 -1,-0.3 0.205 78.4 109.7-112.0 16.3 115.8 180.6 116.5 196 199 A N H <> S+ 0 0 1 -3,-1.2 4,-2.0 2,-0.2 5,-0.2 0.981 86.5 40.0 -51.0 -58.5 119.0 178.8 115.4 197 200 A L H > S+ 0 0 1 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.909 113.9 51.4 -62.7 -46.8 119.3 177.0 118.7 198 201 A P H > S+ 0 0 27 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.914 110.1 52.0 -56.6 -38.4 115.6 176.2 119.2 199 202 A W H X>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 4,-0.5 0.903 105.6 54.0 -63.3 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116.2 219 222 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.903 108.8 52.8 -66.9 -40.6 128.0 179.6 114.5 220 223 A R H X S+ 0 0 64 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.952 111.4 46.6 -51.4 -50.4 130.2 176.7 113.1 221 224 A E H X S+ 0 0 119 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.876 111.1 53.0 -62.1 -37.4 131.4 176.1 116.8 222 225 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.943 111.5 44.0 -61.9 -49.5 127.8 176.3 117.9 223 226 A L H X S+ 0 0 19 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.889 114.1 51.7 -63.6 -37.1 126.7 173.6 115.3 224 227 A S H X S+ 0 0 77 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.873 112.4 43.4 -71.3 -37.5 129.7 171.5 116.1 225 228 A A H X>S+ 0 0 11 -4,-2.3 5,-1.7 -5,-0.2 4,-1.1 0.934 115.1 50.2 -73.5 -43.2 129.1 171.5 119.9 226 229 A F H ><5S+ 0 0 26 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.924 109.3 51.0 -57.6 -48.1 125.3 170.9 119.5 227 230 A G H 3<5S+ 0 0 45 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.770 109.5 50.1 -61.5 -30.7 125.9 168.0 117.1 228 231 A S H 3<5S- 0 0 36 -4,-1.1 -1,-0.2 -3,-0.3 1157,-0.2 0.689 123.3-102.6 -80.6 -17.6 128.3 166.3 119.5 229 232 A G T <<5S+ 0 0 2 -4,-1.1 2,-2.0 -3,-0.7 1152,-0.3 0.323 84.1 128.4 109.8 -4.2 125.8 166.6 122.4 230 233 A D >< + 0 0 22 -5,-1.7 4,-1.6 1,-0.2 3,-0.2 -0.510 21.3 157.7 -81.3 67.8 127.6 169.6 124.2 231 234 A I H > + 0 0 4 -2,-2.0 4,-2.8 1147,-0.3 -1,-0.2 0.813 66.9 64.6 -58.4 -37.5 124.3 171.6 124.3 232 235 A A H > S+ 0 0 25 1146,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.943 104.8 43.2 -57.9 -47.5 125.7 173.6 127.1 233 236 A T H > S+ 0 0 57 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.877 112.6 53.8 -62.5 -38.1 128.5 175.1 124.8 234 237 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.918 110.2 47.0 -62.0 -45.7 125.9 175.6 122.0 235 238 A R H X S+ 0 0 99 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.893 110.5 53.0 -61.2 -46.9 123.7 177.6 124.5 236 239 A K H X S+ 0 0 154 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.888 111.4 45.7 -53.3 -50.2 126.8 179.6 125.7 237 240 A I H X S+ 0 0 19 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.915 111.2 53.5 -58.8 -44.0 127.7 180.6 122.1 238 241 A N H < S+ 0 0 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47.4 -53.2 -51.4 87.2 199.0 80.3 332 39 B N H X S+ 0 0 53 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.877 112.0 49.8 -54.8 -42.7 84.2 200.3 78.2 333 40 B H H X S+ 0 0 51 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.948 110.5 50.3 -66.5 -43.3 81.7 198.1 80.3 334 41 B L H X>S+ 0 0 0 -4,-3.2 5,-1.9 1,-0.2 4,-0.6 0.926 113.1 43.6 -63.0 -45.8 83.2 199.4 83.5 335 42 B V H ><5S+ 0 0 20 -4,-2.4 3,-1.6 3,-0.2 -1,-0.2 0.934 111.3 56.0 -63.7 -46.1 83.0 203.1 82.6 336 43 B D H 3<5S+ 0 0 114 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.914 104.8 54.0 -42.2 -51.1 79.5 202.5 81.2 337 44 B Q H 3<5S- 0 0 90 -4,-2.4 -1,-0.3 -5,-0.1 179,-0.2 0.604 136.6 -80.0 -70.0 -12.8 78.4 201.1 84.5 338 45 B G T <<5S+ 0 0 18 -3,-1.6 -3,-0.2 -4,-0.6 2,-0.2 0.409 81.2 137.0 134.1 -4.3 79.6 204.2 86.4 339 46 B C < - 0 0 3 -5,-1.9 -1,-0.3 1,-0.1 -30,-0.2 -0.524 28.8-171.2 -72.7 134.5 83.4 204.2 86.9 340 47 B D S S+ 0 0 49 -32,-2.5 35,-2.1 -2,-0.2 2,-0.3 0.397 73.2 22.2-106.2 6.0 85.0 207.5 86.2 341 48 B G E -kl 309 375C 0 -33,-1.5 -31,-0.9 33,-0.3 2,-0.3 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119.3-109.6 -97.3 12.0 73.6 214.2 98.9 525 232 B G T < 5S+ 0 0 54 -3,-2.1 2,-1.2 1,-0.2 3,-0.2 0.655 75.9 135.4 70.3 18.1 73.8 213.4 102.6 526 233 B D >< + 0 0 64 -5,-2.6 4,-2.0 -6,-0.2 3,-0.3 -0.628 16.7 160.4 -92.8 75.9 71.4 210.4 102.4 527 234 B I H > + 0 0 35 -2,-1.2 4,-3.2 1,-0.2 5,-0.2 0.814 67.3 65.5 -69.9 -30.5 73.4 208.1 104.6 528 235 B A H > S+ 0 0 55 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.939 107.7 40.6 -53.7 -47.9 70.4 205.9 105.3 529 236 B T H > S+ 0 0 55 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.915 113.0 54.2 -67.1 -44.4 70.3 204.9 101.6 530 237 B A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.928 109.7 48.0 -55.2 -46.4 74.1 204.7 101.5 531 238 B R H X S+ 0 0 135 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.908 110.7 52.0 -59.4 -45.0 73.9 202.2 104.4 532 239 B K H X S+ 0 0 165 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.903 111.7 45.4 -56.1 -45.2 71.1 200.3 102.7 533 240 B I H X S+ 0 0 20 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.854 109.4 56.7 -69.9 -36.1 73.2 200.0 99.5 534 241 B N H X S+ 0 0 47 -4,-2.3 4,-0.7 -5,-0.3 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212 D S E -b 902 0G 1 -196,-3.3 -194,-2.5 -2,-0.7 -18,-0.1 -0.550 43.1-172.6-104.7 145.8 134.6 217.7 116.8 1098 213 D V S > S+ 0 0 9 -2,-0.2 3,-1.9 -196,-0.2 4,-0.2 0.825 93.8 51.4 -93.4 -48.8 136.0 217.2 113.3 1099 214 D I T >> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 3,-1.6 0.597 87.9 83.2 -67.7 -12.2 133.1 218.7 111.3 1100 215 D A H 3> S+ 0 0 0 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.750 75.1 74.8 -57.3 -25.8 133.4 221.9 113.5 1101 216 D H H <4 S+ 0 0 1 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.883 116.0 18.5 -46.4 -36.5 136.2 222.7 111.0 1102 217 D L H <4 S+ 0 0 11 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.2 0.700 138.3 31.1-109.2 -23.8 133.3 223.5 108.7 1103 218 D A H X + 0 0 3 -4,-2.1 4,-2.2 1,-0.1 5,-0.2 -0.193 64.5 134.1-138.5 37.1 130.2 224.0 110.9 1104 219 D A H X S+ 0 0 3 -4,-1.0 4,-2.6 1,-0.2 5,-0.2 0.888 75.8 56.4 -59.9 -42.8 131.4 225.4 114.2 1105 220 D G H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 109.9 43.4 -53.4 -50.5 128.6 228.0 114.1 1106 221 D Q H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 112.9 51.0 -69.5 -41.6 125.9 225.4 113.8 1107 222 D L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.845 109.4 51.4 -62.6 -38.0 127.4 223.0 116.4 1108 223 D R H X S+ 0 0 56 -4,-2.6 4,-2.8 -179,-0.2 -2,-0.2 0.918 111.0 48.8 -60.4 -45.0 127.6 226.0 118.9 1109 224 D E H X S+ 0 0 112 -4,-2.2 4,-3.1 -5,-0.2 -2,-0.2 0.889 108.8 53.2 -59.6 -40.8 124.0 226.7 118.2 1110 225 D L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.958 111.4 44.9 -59.1 -51.3 123.2 223.0 118.7 1111 226 D L H X S+ 0 0 20 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.918 113.9 50.3 -56.9 -45.0 124.9 223.1 122.2 1112 227 D S H X S+ 0 0 70 -4,-2.8 4,-2.1 2,-0.2 6,-0.2 0.949 111.5 48.4 -62.1 -45.6 123.1 226.4 123.0 1113 228 D A H <>S+ 0 0 10 -4,-3.1 5,-2.3 2,-0.2 4,-0.5 0.939 116.0 42.0 -54.3 -57.7 119.7 225.0 122.0 1114 229 D F H ><5S+ 0 0 58 -4,-2.8 3,-1.8 3,-0.2 -2,-0.2 0.929 112.0 55.9 -55.7 -48.6 120.2 221.8 124.1 1115 230 D G H 3<5S+ 0 0 68 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.849 108.4 46.7 -56.0 -40.0 121.7 223.7 127.0 1116 231 D S T 3<5S- 0 0 96 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.517 123.1-107.1 -79.3 -5.9 118.6 226.0 127.2 1117 232 D G T < 5S+ 0 0 53 -3,-1.8 2,-1.7 -4,-0.5 -3,-0.2 0.525 79.5 131.7 93.8 2.4 116.4 222.9 127.0 1118 233 D D >< + 0 0 68 -5,-2.3 4,-1.9 -6,-0.2 -1,-0.2 -0.620 22.6 164.2 -85.3 76.8 115.1 223.4 123.4 1119 234 D I H > + 0 0 112 -2,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.719 67.5 61.4 -70.0 -21.1 115.9 219.8 122.5 1120 235 D A H > S+ 0 0 55 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.923 106.6 44.5 -72.1 -45.0 113.7 220.0 119.3 1121 236 D T H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.917 110.7 55.1 -63.9 -41.9 115.9 222.8 117.9 1122 237 D A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.925 109.0 49.1 -53.9 -48.0 119.0 220.8 118.9 1123 238 D R H X S+ 0 0 165 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.889 108.9 51.7 -58.6 -46.0 117.5 217.9 116.9 1124 239 D K H X S+ 0 0 145 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.830 110.2 48.5 -60.9 -37.8 116.8 220.0 113.8 1125 240 D I H X S+ 0 0 22 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.855 109.4 53.2 -70.8 -37.6 120.4 221.4 113.7 1126 241 D N H < S+ 0 0 17 -4,-1.8 4,-0.3 -5,-0.2 -2,-0.2 0.864 111.5 44.8 -64.5 -40.0 121.8 217.8 114.1 1127 242 D I H >< S+ 0 0 89 -4,-2.0 3,-1.3 2,-0.2 -2,-0.2 0.913 109.7 57.8 -64.3 -45.4 119.7 216.7 111.1 1128 243 D A H 3< S+ 0 0 42 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.1 0.881 111.7 39.6 -57.8 -43.7 120.8 219.9 109.2 1129 244 D V T >X S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 4,-0.8 0.461 86.1 104.3 -83.0 -2.3 124.5 219.1 109.5 1130 245 D A H <> + 0 0 23 -3,-1.3 4,-2.0 -4,-0.3 3,-0.4 0.774 67.2 66.7 -53.3 -34.2 124.1 215.3 108.9 1131 246 D P H 3> S+ 0 0 23 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.830 98.0 57.0 -56.9 -27.0 125.4 215.4 105.3 1132 247 D L H <> S+ 0 0 0 -3,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.888 103.6 50.3 -71.4 -36.8 128.8 216.4 106.8 1133 248 D X H X S+ 0 0 21 -4,-0.8 4,-1.9 -3,-0.4 -1,-0.2 0.864 110.0 52.6 -65.4 -35.9 128.8 213.2 108.9 1134 249 D N H X S+ 0 0 70 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.896 108.8 47.7 -64.4 -43.0 128.0 211.3 105.7 1135 250 D A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.862 107.6 57.7 -62.1 -39.8 131.0 212.9 104.0 1136 251 D M H X S+ 0 0 32 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.910 103.1 53.1 -54.8 -48.5 133.1 212.0 107.1 1137 252 D S H < S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.875 115.1 42.2 -52.8 -41.0 132.2 208.3 106.6 1138 253 D R H < S+ 0 0 112 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.839 130.0 20.7 -75.6 -38.9 133.4 208.6 103.0 1139 254 D L H < S- 0 0 19 -4,-2.4 4,-0.4 -5,-0.1 -3,-0.2 0.732 94.8-127.9-107.4 -25.1 136.6 210.6 103.4 1140 255 D G X - 0 0 29 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 -0.005 39.6 -76.2 76.3 163.1 137.8 210.3 107.0 1141 256 D G H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.811 124.8 49.6 -67.5 -40.3 138.5 213.4 109.1 1142 257 D V H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.930 116.0 42.4 -66.6 -48.7 141.9 214.6 107.7 1143 258 D T H > S+ 0 0 4 -4,-0.4 4,-1.9 2,-0.2 23,-0.3 0.923 117.7 47.8 -65.3 -45.2 140.9 214.4 104.0 1144 259 D L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.947 112.2 48.8 -59.3 -49.1 137.4 216.0 104.8 1145 260 D S H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.906 114.1 42.8 -63.3 -44.2 138.9 218.9 106.9 1146 261 D K H X S+ 0 0 3 -4,-2.0 4,-1.5 2,-0.2 10,-0.5 0.892 119.0 44.2 -72.4 -37.2 141.6 220.0 104.5 1147 262 D A H X S+ 0 0 7 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.901 115.3 47.5 -73.0 -42.4 139.3 219.7 101.4 1148 263 D G H X S+ 0 0 0 -4,-3.0 4,-1.7 -5,-0.3 -2,-0.2 0.890 109.9 51.7 -65.2 -42.8 136.4 221.4 103.0 1149 264 D L H <>S+ 0 0 0 -4,-2.1 5,-3.1 -5,-0.3 4,-0.5 0.908 109.0 52.5 -62.4 -38.8 138.4 224.3 104.5 1150 265 D R H ><5S+ 0 0 85 -4,-1.5 3,-1.3 1,-0.2 -1,-0.2 0.922 106.9 52.1 -61.2 -42.8 139.8 224.8 101.0 1151 266 D L H 3<5S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.814 107.7 51.9 -62.2 -33.5 136.2 225.0 99.6 1152 267 D Q T 3<5S- 0 0 58 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.473 128.8 -99.3 -82.0 -5.6 135.3 227.6 102.2 1153 268 D G T < 5S+ 0 0 54 -3,-1.3 2,-0.5 -4,-0.5 -3,-0.2 0.669 91.3 113.6 99.5 20.3 138.4 229.6 101.1 1154 269 D I < - 0 0 8 -5,-3.1 2,-0.5 -6,-0.1 -2,-0.2 -0.835 53.5-155.1-122.3 95.4 140.9 228.7 103.7 1155 270 D D + 0 0 93 -2,-0.5 3,-0.1 -5,-0.2 -8,-0.1 -0.536 21.9 169.3 -73.8 116.4 143.7 226.7 102.1 1156 271 D V - 0 0 0 -2,-0.5 -248,-1.4 -10,-0.5 -1,-0.1 0.110 44.4-120.5-113.6 22.9 145.4 224.4 104.7 1157 272 D G - 0 0 9 -250,-0.2 -1,-0.4 -11,-0.1 -7,-0.1 -0.264 41.3 -59.4 67.0-159.8 147.5 222.4 102.2 1158 273 D D - 0 0 75 -249,-0.3 -250,-0.2 1,-0.1 2,-0.0 -0.615 54.7 -90.1-119.5 167.5 147.2 218.6 101.8 1159 274 D P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 6,-0.2 -0.326 40.1-111.4 -73.3 164.5 147.8 215.7 104.2 1160 275 D R > - 0 0 50 4,-0.1 3,-2.0 1,-0.1 -215,-0.0 -0.805 58.1 -57.5 -93.3 141.3 151.1 213.9 104.6 1161 276 D L T 3 S+ 0 0 64 -2,-0.4 -480,-1.3 1,-0.4 -479,-0.4 -0.233 125.1 35.5 -52.0 141.2 151.5 210.3 103.3 1162 277 D P T 3 S+ 0 0 0 0, 0.0 -1,-0.4 0, 0.0 -445,-0.2 -0.982 115.7 71.0 -83.5 4.9 150.0 207.8 103.9 1163 278 D Q S < S- 0 0 19 -3,-2.0 2,-0.3 -454,-0.1 -455,-0.0 -0.486 74.2-156.1 -74.7 153.3 147.1 210.3 104.2 1164 279 D V - 0 0 19 -2,-0.1 -4,-0.1 -3,-0.1 3,-0.1 -0.963 16.8-106.6-137.8 151.4 145.9 211.8 100.9 1165 280 D A - 0 0 31 -2,-0.3 -22,-0.1 -6,-0.2 -21,-0.1 -0.359 50.8 -91.4 -66.1 149.8 144.1 214.9 99.4 1166 281 D A - 0 0 13 -23,-0.3 -1,-0.1 -2,-0.1 -27,-0.0 -0.365 41.6-121.8 -64.6 142.2 140.5 214.5 98.2 1167 282 D T > - 0 0 33 -3,-0.1 4,-2.7 1,-0.1 3,-0.2 -0.372 31.5 -99.3 -75.9 163.2 140.2 213.6 94.5 1168 283 D P H > S+ 0 0 90 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.874 125.6 48.6 -54.2 -41.0 138.3 216.0 92.2 1169 284 D E H > S+ 0 0 129 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.835 111.3 50.5 -69.5 -33.0 135.2 213.7 92.4 1170 285 D Q H > S+ 0 0 49 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.897 109.2 51.7 -67.2 -41.7 135.5 213.5 96.1 1171 286 D I H X S+ 0 0 54 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.938 109.0 50.2 -58.7 -49.5 135.7 217.3 96.3 1172 287 D D H X S+ 0 0 113 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.910 113.5 45.9 -49.7 -47.9 132.5 217.6 94.1 1173 288 D A H X S+ 0 0 38 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.862 112.3 50.7 -70.1 -39.6 130.7 215.2 96.5 1174 289 D L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.945 108.7 52.2 -59.3 -47.6 132.0 217.0 99.6 1175 290 D A H X S+ 0 0 8 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.891 107.2 51.9 -58.0 -44.0 130.8 220.4 98.2 1176 291 D A H X S+ 0 0 46 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.934 111.2 47.6 -61.6 -45.6 127.3 219.1 97.6 1177 292 D D H X S+ 0 0 27 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.913 112.5 49.7 -58.3 -44.0 127.2 217.9 101.2 1178 293 D M H <>S+ 0 0 0 -4,-2.5 5,-3.3 2,-0.2 6,-0.7 0.870 110.9 48.2 -65.7 -39.8 128.5 221.3 102.4 1179 294 D R H ><5S+ 0 0 123 -4,-2.9 3,-1.4 4,-0.2 -1,-0.2 0.919 111.6 51.7 -62.7 -42.6 125.9 223.2 100.4 1180 295 D A H 3<5S+ 0 0 67 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.915 110.7 47.4 -61.6 -41.4 123.2 220.8 101.8 1181 296 D A T 3<5S- 0 0 0 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.440 116.9-118.2 -76.3 1.9 124.5 221.5 105.4 1182 297 D S T < 5S+ 0 0 96 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.823 85.5 113.2 61.0 33.7 124.5 225.3 104.6 1183 298 D V S > - 0 0 102 1,-0.2 4,-3.0 2,-0.1 3,-0.6 -0.666 360.0-172.3 -87.5 93.7 135.0 144.0 132.8 1189 8 E V H 3>>S+ 0 0 24 -2,-1.2 4,-2.5 1,-0.3 5,-1.0 0.861 86.2 51.8 -57.9 -41.5 135.2 147.7 133.9 1190 9 E A H 345S+ 0 0 36 1,-0.2 -1,-0.3 3,-0.2 4,-0.2 0.831 116.1 41.5 -64.1 -32.9 131.5 148.2 133.1 1191 10 E A H <45S+ 0 0 59 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.849 119.1 43.7 -80.9 -33.6 130.6 145.1 135.2 1192 11 E R H <5S+ 0 0 102 -4,-3.0 -2,-0.2 2,-0.1 -3,-0.2 0.780 134.2 12.6 -89.6 -25.4 133.0 145.8 138.0 1193 12 E L T <5S- 0 0 2 -4,-2.5 -3,-0.2 -5,-0.3 2,-0.2 0.638 106.1-120.9-117.8 -26.7 132.4 149.6 138.5 1194 13 E G < - 0 0 1 -5,-1.0 -1,-0.2 -4,-0.2 3,-0.1 -0.524 6.2-108.6 109.7 178.1 129.2 150.2 136.5 1195 14 E T S S+ 0 0 29 1,-0.3 196,-2.2 -2,-0.2 2,-0.5 0.594 103.9 40.2-119.8 -38.3 128.1 152.4 133.5 1196 15 E L E S+k 1391 0I 0 194,-0.2 32,-1.9 30,-0.1 33,-1.5 -0.931 72.2 166.6-118.9 112.4 125.9 154.9 135.4 1197 16 E L E -kl13921229I 0 194,-2.9 196,-3.4 -2,-0.5 2,-0.5 -0.915 26.7-142.7-118.6 147.7 127.1 156.1 138.7 1198 17 E T E 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F S T 3<5S- 0 0 100 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.078 120.8-104.8 -99.4 19.7 163.9 205.6 152.6 1709 232 F G T < 5S+ 0 0 54 -3,-2.3 2,-1.3 1,-0.2 3,-0.2 0.646 79.5 135.9 64.5 15.6 162.8 206.6 149.0 1710 233 F D >< + 0 0 73 -5,-2.8 4,-1.6 -6,-0.3 3,-0.2 -0.596 16.6 156.5 -92.3 74.1 165.9 205.0 147.6 1711 234 F I H > + 0 0 71 -2,-1.3 4,-2.9 1,-0.2 5,-0.2 0.755 65.5 62.1 -73.9 -29.0 164.0 203.3 144.7 1712 235 F A H > S+ 0 0 33 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 107.7 44.7 -65.1 -38.7 167.1 203.1 142.5 1713 236 F T H > S+ 0 0 51 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.882 112.0 52.9 -68.7 -39.7 168.7 200.9 145.1 1714 237 F A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.902 110.6 46.7 -65.8 -41.4 165.5 198.9 145.5 1715 238 F R H X S+ 0 0 122 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.924 111.2 52.9 -60.3 -47.6 165.3 198.2 141.7 1716 239 F K H X S+ 0 0 150 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.915 112.1 43.9 -58.5 -41.8 169.0 197.2 141.7 1717 240 F I H X S+ 0 0 17 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.936 112.5 52.7 -67.4 -45.6 168.5 194.7 144.5 1718 241 F N H X S+ 0 0 22 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.897 110.2 48.2 -54.2 -46.9 165.3 193.4 142.8 1719 242 F I H >< S+ 0 0 83 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.873 108.8 56.1 -58.1 -40.9 167.2 192.9 139.6 1720 243 F A H 3< S+ 0 0 44 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.829 109.5 43.1 -66.7 -34.3 170.0 191.1 141.5 1721 244 F V H >X S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 4,-0.8 0.501 83.1 104.4 -93.5 -3.4 167.8 188.4 143.0 1722 245 F A H XX + 0 0 18 -3,-0.6 4,-2.7 -4,-0.6 3,-0.8 0.853 67.6 67.7 -41.4 -47.4 165.8 187.8 139.8 1723 246 F P H 3> S+ 0 0 24 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.859 98.7 53.8 -49.4 -33.5 167.6 184.5 139.1 1724 247 F L H <> S+ 0 0 0 -3,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.868 106.1 49.9 -66.5 -40.6 165.8 183.1 142.2 1725 248 F X H S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.866 125.2 48.7 -63.1 -47.0 158.5 177.1 146.3 1734 257 F V H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.961 115.2 42.9 -59.4 -57.9 158.7 173.9 148.3 1735 258 F T H > S+ 0 0 5 -4,-0.4 4,-1.9 1,-0.2 23,-0.4 0.897 117.3 48.4 -57.4 -43.6 161.2 172.2 145.9 1736 259 F L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.923 112.4 47.1 -62.9 -47.0 163.3 175.4 145.6 1737 260 F S H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.913 114.9 43.5 -66.7 -48.1 163.5 176.2 149.3 1738 261 F K H X S+ 0 0 2 -4,-2.3 4,-1.7 -5,-0.2 10,-0.4 0.927 119.2 44.5 -67.1 -42.0 164.5 172.7 150.5 1739 262 F A H X S+ 0 0 11 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.877 116.7 44.7 -67.4 -41.1 167.0 172.3 147.6 1740 263 F G H X S+ 0 0 0 -4,-3.1 4,-1.7 2,-0.2 -2,-0.2 0.859 111.6 51.9 -74.5 -38.9 168.5 175.8 148.0 1741 264 F L H <>S+ 0 0 0 -4,-2.7 5,-2.8 -5,-0.2 4,-0.3 0.906 108.6 52.1 -61.0 -41.7 168.7 175.6 151.8 1742 265 F R H ><5S+ 0 0 88 -4,-1.7 3,-1.2 -5,-0.3 -2,-0.2 0.907 108.3 51.3 -61.0 -39.4 170.5 172.3 151.4 1743 266 F L H 3<5S+ 0 0 55 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 106.0 54.8 -66.6 -33.1 173.0 174.0 149.0 1744 267 F Q T 3<5S- 0 0 55 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.426 128.2 -99.8 -79.3 -0.1 173.6 176.8 151.5 1745 268 F G T < 5S+ 0 0 53 -3,-1.2 2,-0.6 -4,-0.3 -3,-0.2 0.559 93.8 112.4 95.0 10.3 174.5 174.2 154.1 1746 269 F I < - 0 0 6 -5,-2.8 2,-0.5 -6,-0.2 -2,-0.2 -0.839 54.3-158.4-116.6 89.1 171.2 174.0 156.0 1747 270 F D + 0 0 89 -2,-0.6 3,-0.1 -5,-0.2 -8,-0.1 -0.570 18.9 171.5 -71.7 116.6 169.8 170.6 155.2 1748 271 F V - 0 0 0 -2,-0.5 -248,-1.6 1,-0.4 -1,-0.1 0.091 44.1-114.0-112.0 22.7 166.0 170.6 155.8 1749 272 F G - 0 0 8 -250,-0.2 -1,-0.4 -11,-0.1 -7,-0.1 -0.340 41.6 -66.3 79.5-168.2 165.1 167.2 154.4 1750 273 F D - 0 0 72 -249,-0.4 -250,-0.1 1,-0.1 2,-0.1 -0.702 54.8 -87.0-113.9 167.1 163.0 166.6 151.3 1751 274 F P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.346 39.1-114.8 -66.4 157.6 159.3 167.3 150.6 1752 275 F R > - 0 0 43 4,-0.1 3,-1.6 1,-0.1 -215,-0.1 -0.726 57.6 -61.7 -85.7 145.6 156.5 164.8 151.5 1753 276 F L T 3 S+ 0 0 67 1,-0.3 -480,-1.2 -2,-0.3 -479,-0.5 -0.372 122.1 40.1 -62.2 147.5 154.7 163.3 148.5 1754 277 F P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -445,-0.2 -0.988 116.0 68.7 -78.6 0.4 153.0 164.3 146.2 1755 278 F Q S < S- 0 0 20 -3,-1.6 2,-0.3 -454,-0.1 -455,-0.0 -0.473 76.5-155.2 -79.1 156.5 155.7 167.1 146.4 1756 279 F V - 0 0 16 -2,-0.1 2,-0.1 -3,-0.1 -4,-0.1 -0.929 15.5-108.2-141.5 150.7 159.2 166.0 145.4 1757 280 F A - 0 0 28 -2,-0.3 -22,-0.1 -6,-0.2 -21,-0.1 -0.460 50.2 -89.5 -76.7 155.2 162.9 166.8 145.9 1758 281 F A - 0 0 15 -23,-0.4 -1,-0.1 -2,-0.1 -27,-0.0 -0.307 41.3-121.2 -62.0 145.5 164.8 168.5 143.1 1759 282 F T > - 0 0 41 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.406 31.0-100.1 -76.1 162.0 166.6 166.2 140.6 1760 283 F P H > S+ 0 0 106 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.919 126.1 50.5 -47.0 -47.1 170.4 166.4 140.1 1761 284 F E H > S+ 0 0 159 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.931 110.7 47.8 -58.9 -47.8 169.8 168.5 136.9 1762 285 F Q H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.814 107.9 57.1 -62.8 -33.8 167.5 170.9 138.7 1763 286 F I H X S+ 0 0 56 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.873 106.7 47.8 -65.6 -39.9 170.0 171.2 141.5 1764 287 F D H X S+ 0 0 115 -4,-1.7 4,-2.3 -3,-0.2 -2,-0.2 0.920 112.7 48.1 -69.6 -40.7 172.7 172.4 139.1 1765 288 F A H X S+ 0 0 42 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.934 115.1 46.3 -63.0 -42.8 170.4 175.0 137.5 1766 289 F L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.866 109.3 53.0 -63.5 -44.3 169.4 176.2 140.9 1767 290 F A H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.914 109.4 51.0 -59.8 -43.4 172.9 176.3 142.1 1768 291 F A H X S+ 0 0 55 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.943 110.9 47.3 -56.0 -52.0 173.7 178.5 139.0 1769 292 F D H X S+ 0 0 26 -4,-2.2 4,-2.3 1,-0.2 -45,-0.2 0.927 111.2 52.1 -57.0 -44.7 170.8 180.9 139.8 1770 293 F M H <>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 6,-0.6 0.888 110.7 47.0 -61.5 -41.6 171.9 181.1 143.5 1771 294 F R H ><5S+ 0 0 127 -4,-2.3 3,-1.1 4,-0.2 -1,-0.2 0.866 110.8 51.9 -66.8 -36.8 175.5 182.0 142.5 1772 295 F A H 3<5S+ 0 0 69 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.896 111.0 49.1 -65.1 -35.9 174.2 184.6 139.9 1773 296 F A T 3<5S- 0 0 1 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.321 113.8-120.9 -81.8 3.7 172.1 186.1 142.8 1774 297 F S T < 5S+ 0 0 101 -3,-1.1 -3,-0.2 2,-0.2 -4,-0.1 0.753 85.0 111.7 57.8 29.8 175.1 186.1 145.2 1775 298 F V S