==== 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 LYASE/DNA 16-JUN-10 2XHI . COMPND 2 MOLECULE: N-GLYCOSYLASE/DNA LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.DALHUS,M.FORSBRING,I.H.HELLE,E.S.VIK,R.J.FORSTROM,P.H.BACK . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 9.2 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 . 4 1.3 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 . 1 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 . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 2 1 0 1 1 2 1 3 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 10 A R 0 0 222 0, 0.0 2,-0.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -73.4 25.2 -13.0 36.8 2 11 A M + 0 0 150 162,-0.1 162,-0.1 2,-0.0 2,-0.0 -0.522 360.0 23.4 -85.6 157.8 26.0 -10.4 39.6 3 12 A G S S- 0 0 14 -2,-0.2 2,-0.1 160,-0.2 160,-0.0 -0.119 102.9 -36.0 89.3 173.9 26.9 -6.8 39.3 4 13 A H S S- 0 0 16 160,-0.1 2,-0.2 1,-0.1 -2,-0.0 -0.467 71.4-117.2 -68.2 137.0 26.2 -4.2 36.5 5 14 A R - 0 0 29 -2,-0.1 2,-0.3 8,-0.0 -1,-0.1 -0.479 25.3-162.2 -77.4 152.5 26.4 -5.8 33.1 6 15 A T > - 0 0 32 -2,-0.2 4,-1.9 1,-0.1 52,-0.0 -0.912 33.3-112.8-127.7 163.2 29.0 -4.9 30.4 7 16 A L T 4 S+ 0 0 50 -2,-0.3 7,-0.1 1,-0.2 6,-0.1 0.876 119.4 43.3 -64.5 -33.4 28.8 -5.7 26.7 8 17 A A T 4 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.870 112.6 50.7 -76.4 -38.1 31.7 -8.1 27.1 9 18 A S T 4 S+ 0 0 75 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.740 125.6 21.1 -79.8 -27.1 30.6 -9.8 30.3 10 19 A T >< + 0 0 24 -4,-1.9 3,-2.1 1,-0.1 -1,-0.2 -0.384 68.6 163.9-138.4 60.3 27.0 -10.7 29.3 11 20 A P G > S+ 0 0 87 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.803 73.4 57.8 -49.5 -34.6 26.9 -10.7 25.4 12 21 A A G 3 S+ 0 0 60 1,-0.3 66,-0.4 66,-0.0 -5,-0.0 0.664 97.6 59.9 -78.5 -14.9 23.7 -12.6 25.2 13 22 A L G < S+ 0 0 31 -3,-2.1 55,-0.4 64,-0.1 2,-0.3 0.273 88.6 91.3 -97.6 12.0 21.6 -10.1 27.2 14 23 A W < - 0 0 10 -3,-1.3 2,-0.3 -4,-0.2 53,-0.2 -0.835 47.3-175.7-106.3 146.3 22.2 -7.1 24.9 15 24 A A E -A 66 0A 19 51,-2.4 51,-3.5 -2,-0.3 2,-0.3 -0.937 18.4-136.5-126.9 159.9 20.1 -5.8 22.0 16 25 A S E -A 65 0A 57 -2,-0.3 49,-0.2 49,-0.2 43,-0.0 -0.811 12.2-156.8-122.8 160.8 21.0 -3.0 19.7 17 26 A I E -A 64 0A 6 47,-2.2 47,-3.1 -2,-0.3 2,-0.2 -0.993 37.9-112.0-128.0 124.4 19.4 0.1 18.0 18 27 A P E +A 63 0A 103 0, 0.0 45,-0.2 0, 0.0 44,-0.0 -0.516 56.6 150.5 -63.2 128.3 21.2 1.4 14.9 19 28 A C - 0 0 3 43,-2.8 41,-0.1 -2,-0.2 2,-0.1 -0.718 33.8-147.8-167.7 104.2 22.5 4.8 16.0 20 29 A P >> - 0 0 39 0, 0.0 3,-1.8 0, 0.0 4,-1.3 -0.411 31.3-111.8 -73.1 158.1 25.6 6.5 14.7 21 30 A R T 34 S+ 0 0 71 40,-1.3 41,-0.1 1,-0.3 40,-0.1 0.797 116.8 67.3 -62.4 -28.2 27.7 8.8 17.0 22 31 A S T 34 S+ 0 0 49 1,-0.2 98,-0.8 97,-0.1 -1,-0.3 0.764 105.4 42.4 -54.9 -24.3 26.5 11.7 14.9 23 32 A E T <4 S+ 0 0 23 -3,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.774 129.0 7.9 -97.6 -23.7 23.1 11.1 16.2 24 33 A L < - 0 0 0 -4,-1.3 2,-0.5 97,-0.1 -1,-0.3 -0.944 43.5-174.6-162.4 128.2 24.0 10.4 19.9 25 34 A R >> - 0 0 41 95,-2.4 3,-1.5 -2,-0.3 4,-1.1 -0.936 13.3-163.4-117.4 105.6 27.0 10.6 22.3 26 35 A L H >> S+ 0 0 2 -2,-0.5 4,-2.3 1,-0.3 3,-0.8 0.882 89.4 58.0 -53.7 -40.9 26.0 9.1 25.6 27 36 A D H 34 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.2 13,-0.0 0.684 111.9 40.6 -66.5 -19.5 29.0 10.7 27.3 28 37 A L H <4 S+ 0 0 9 -3,-1.5 -1,-0.2 92,-0.1 -2,-0.2 0.562 122.7 38.7-100.5 -8.6 27.9 14.2 26.2 29 38 A V H X<>S+ 0 0 0 -4,-1.1 3,-1.1 -3,-0.8 5,-0.5 0.824 109.8 50.8-103.9 -50.5 24.2 13.8 26.8 30 39 A L T 3<5S+ 0 0 2 -4,-2.3 8,-0.4 1,-0.3 3,-0.2 0.734 115.7 35.2 -70.9 -28.7 23.7 11.8 30.0 31 40 A P T 3 5S+ 0 0 51 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.269 95.3 91.0-106.2 16.7 25.9 13.6 32.6 32 41 A S T < 5S- 0 0 4 -3,-1.1 -2,-0.1 3,-0.1 4,-0.1 0.208 107.5 -89.2-103.4 18.0 25.3 17.1 31.1 33 42 A G T 5S+ 0 0 12 2,-0.5 3,-0.1 -3,-0.2 -3,-0.1 0.743 102.0 101.1 84.1 23.9 22.2 18.3 33.2 34 43 A Q S S-B 45 0A 29 3,-1.2 3,-2.5 -3,-0.2 5,-0.0 -0.934 114.3 -75.3-129.7 153.3 31.7 0.8 34.3 43 52 A P T 3 S- 0 0 115 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.281 118.1 -1.6 -57.7 129.0 33.8 2.7 31.7 44 53 A A T 3 S+ 0 0 53 1,-0.1 2,-0.5 -4,-0.1 15,-0.4 0.484 110.1 109.8 72.0 2.0 31.6 3.7 28.7 45 54 A H E < -B 42 0A 23 -3,-2.5 -3,-1.2 13,-0.1 -4,-0.6 -0.961 52.1-161.2-115.5 121.6 28.5 1.9 30.3 46 55 A W E -BC 40 57A 18 11,-2.8 11,-2.1 -2,-0.5 2,-0.4 -0.871 5.8-169.0-108.4 122.1 25.7 4.1 31.6 47 56 A S E +BC 39 56A 1 -8,-2.9 -8,-2.3 -2,-0.5 2,-0.3 -0.892 25.5 112.9-116.4 142.3 23.1 2.8 34.1 48 57 A G E - C 0 55A 0 7,-2.0 7,-3.0 -2,-0.4 2,-0.5 -0.968 62.5 -65.8 178.4 179.8 19.9 4.4 35.2 49 58 A V E + C 0 54A 8 -12,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.805 43.6 172.8 -96.3 127.6 16.1 4.1 35.3 50 59 A L E > S- C 0 53A 4 3,-2.8 3,-1.1 -2,-0.5 37,-0.1 -0.997 74.2 -10.4-138.6 123.5 14.2 4.5 31.9 51 60 A A T 3 S- 0 0 69 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.913 129.4 -54.9 49.7 49.8 10.5 3.9 31.7 52 61 A D T 3 S+ 0 0 124 1,-0.2 2,-0.3 118,-0.1 -1,-0.2 0.642 120.8 89.0 61.7 17.4 10.4 2.4 35.3 53 62 A Q E < S-C 50 0A 49 -3,-1.1 -3,-2.8 117,-0.1 2,-0.4 -0.972 80.2-108.1-132.6 159.5 13.1 -0.3 34.7 54 63 A V E -CD 49 69A 1 15,-1.1 15,-2.6 -2,-0.3 2,-0.3 -0.695 39.5-179.6 -86.4 139.3 16.8 -0.2 35.1 55 64 A W E -CD 48 68A 2 -7,-3.0 -7,-2.0 -2,-0.4 2,-0.4 -0.944 22.7-149.8-130.4 151.8 18.9 -0.2 32.0 56 65 A T E -CD 47 67A 0 11,-2.1 11,-1.8 -2,-0.3 2,-0.4 -0.988 21.9-169.1-116.0 138.6 22.6 -0.2 31.1 57 66 A L E +CD 46 66A 0 -11,-2.1 -11,-2.8 -2,-0.4 2,-0.3 -0.967 13.5 160.8-126.3 140.7 23.5 1.5 27.8 58 67 A T E - D 0 65A 7 7,-2.5 7,-3.4 -2,-0.4 2,-0.4 -0.967 20.3-141.2-152.8 162.3 26.7 1.6 25.8 59 68 A Q E - D 0 64A 32 -15,-0.4 5,-0.2 -2,-0.3 2,-0.2 -0.979 12.7-167.1-133.4 147.3 27.7 2.3 22.2 60 69 A T - 0 0 63 3,-2.0 -41,-0.0 -2,-0.4 5,-0.0 -0.463 58.4 -77.9-101.6-172.5 30.0 1.3 19.4 61 70 A E S S+ 0 0 112 1,-0.2 -40,-1.3 -2,-0.2 3,-0.0 0.891 127.0 15.6 -58.8 -36.8 30.5 3.5 16.3 62 71 A E S S+ 0 0 111 -42,-0.2 -43,-2.8 -41,-0.1 2,-0.4 0.493 118.6 63.0-115.6 -1.2 27.2 2.6 14.7 63 72 A Q E -A 18 0A 57 -45,-0.2 -3,-2.0 -47,-0.0 2,-0.6 -0.975 58.3-145.4-132.4 142.2 25.1 1.0 17.4 64 73 A L E -AD 17 59A 0 -47,-3.1 -47,-2.2 -2,-0.4 2,-0.4 -0.938 28.3-151.8 -99.7 119.9 23.4 1.8 20.7 65 74 A H E -AD 16 58A 30 -7,-3.4 -7,-2.5 -2,-0.6 2,-0.4 -0.807 14.9-170.1 -98.2 130.8 23.6 -1.4 22.9 66 75 A C E +AD 15 57A 0 -51,-3.5 -51,-2.4 -2,-0.4 2,-0.3 -0.944 13.6 179.4-129.2 142.1 20.9 -1.8 25.5 67 76 A T E - D 0 56A 0 -11,-1.8 -11,-2.1 -2,-0.4 2,-0.4 -0.994 13.6-154.6-140.0 143.1 20.4 -4.3 28.4 68 77 A V E - D 0 55A 1 -55,-0.4 2,-0.6 9,-0.4 9,-0.4 -0.948 7.3-153.4-127.5 137.5 17.4 -4.3 30.8 69 78 A Y E + D 0 54A 15 -15,-2.6 -15,-1.1 -2,-0.4 3,-0.1 -0.948 14.4 178.4-111.8 117.0 17.1 -5.6 34.4 70 79 A R - 0 0 65 -2,-0.6 2,-0.4 1,-0.2 -1,-0.1 0.769 45.1 -95.1 -94.0 -23.8 13.5 -6.5 35.3 71 80 A G - 0 0 35 3,-0.2 -1,-0.2 1,-0.1 91,-0.1 -0.954 57.5 -64.9-170.3-110.8 13.6 -7.9 38.9 72 81 A D S S+ 0 0 143 -2,-0.4 3,-0.2 -3,-0.1 -1,-0.1 0.595 106.3 96.4-176.9 3.8 13.9 -11.3 39.7 73 82 A K S S+ 0 0 205 1,-0.3 2,-0.6 2,-0.1 -1,-0.1 0.929 90.3 28.3 -86.1 -49.8 10.6 -12.5 38.2 74 83 A S S S- 0 0 63 1,-0.1 -1,-0.3 3,-0.0 -4,-0.2 -0.986 94.0-103.1 -98.8 134.9 11.9 -13.7 34.9 75 84 A Q - 0 0 171 -2,-0.6 -1,-0.1 -3,-0.2 -2,-0.1 0.110 53.0 -73.5 -3.8 127.6 14.9 -14.7 34.3 76 85 A A + 0 0 47 -4,-0.1 2,-0.3 -5,-0.1 -1,-0.2 -0.155 64.1 150.9 -60.2 134.1 17.5 -12.5 32.5 77 86 A S - 0 0 51 -9,-0.4 -9,-0.4 -3,-0.2 -64,-0.1 -0.983 47.3 -76.9-156.9 166.5 17.0 -12.0 28.8 78 87 A R - 0 0 139 -66,-0.4 -64,-0.1 -2,-0.3 -11,-0.1 -0.097 62.2 -87.2 -54.7 154.2 17.6 -9.5 26.0 79 88 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -13,-0.1 -0.383 45.3-121.4 -63.4 147.8 15.3 -6.5 25.8 80 89 A T > - 0 0 59 -3,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.384 26.7-104.1 -80.6 160.3 12.1 -7.0 23.7 81 90 A P H > S+ 0 0 105 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.887 124.5 51.5 -51.9 -41.0 11.2 -4.9 20.7 82 91 A D H > S+ 0 0 135 2,-0.2 4,-1.1 1,-0.2 0, 0.0 0.889 109.3 49.5 -63.9 -41.6 8.7 -3.0 22.8 83 92 A E H > S+ 0 0 28 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.909 109.3 52.0 -62.8 -43.5 11.3 -2.3 25.4 84 93 A L H X S+ 0 0 26 -4,-2.7 4,-2.3 1,-0.2 3,-0.3 0.872 103.8 58.5 -59.8 -36.2 13.8 -1.1 22.8 85 94 A E H X S+ 0 0 75 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.827 100.4 56.6 -60.0 -33.5 11.0 1.3 21.5 86 95 A A H X S+ 0 0 30 -4,-1.1 4,-1.8 -3,-0.5 -1,-0.2 0.870 107.0 48.6 -63.6 -39.6 10.9 2.8 24.9 87 96 A V H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.925 110.6 51.4 -66.4 -42.7 14.7 3.6 24.6 88 97 A R H <>S+ 0 0 64 -4,-2.3 5,-2.3 1,-0.2 6,-0.2 0.890 111.1 47.9 -62.5 -39.6 14.1 5.1 21.1 89 98 A K H ><5S+ 0 0 125 -4,-2.2 3,-0.5 3,-0.2 -1,-0.2 0.858 109.3 52.6 -69.0 -38.5 11.3 7.3 22.5 90 99 A Y H 3<5S+ 0 0 27 -4,-1.8 35,-2.7 1,-0.2 -2,-0.2 0.876 115.4 40.4 -67.7 -37.3 13.4 8.5 25.4 91 100 A F T 3<5S- 0 0 0 -4,-2.1 -1,-0.2 33,-0.2 -2,-0.2 0.366 104.9-132.5 -86.6 -1.2 16.3 9.5 23.1 92 101 A Q T X 5 + 0 0 34 -3,-0.5 3,-2.4 -4,-0.2 -3,-0.2 0.872 37.5 174.8 53.5 46.9 13.8 10.9 20.5 93 102 A L T 3 < + 0 0 21 -5,-2.3 -1,-0.1 1,-0.3 -4,-0.1 0.494 64.6 72.8 -72.6 -9.5 15.7 9.0 17.8 94 103 A D T 3 S+ 0 0 131 -6,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.649 81.0 85.4 -71.7 -21.5 13.1 9.9 15.1 95 104 A V S < S- 0 0 32 -3,-2.4 2,-1.0 -4,-0.1 27,-0.0 -0.734 83.5-139.4 -83.7 123.9 14.6 13.4 15.2 96 105 A T > - 0 0 75 -2,-0.5 4,-1.3 1,-0.2 3,-0.5 -0.773 16.0-169.4 -91.0 99.8 17.6 13.4 12.9 97 106 A L H > S+ 0 0 0 -2,-1.0 4,-3.2 1,-0.2 5,-0.3 0.855 83.2 62.5 -55.8 -39.4 20.3 15.3 14.8 98 107 A A H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.847 103.9 50.6 -59.1 -37.3 22.6 15.5 11.7 99 108 A Q H > S+ 0 0 133 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.905 112.0 45.3 -63.9 -45.6 19.9 17.5 9.9 100 109 A L H X S+ 0 0 24 -4,-1.3 4,-3.1 2,-0.2 5,-0.2 0.926 111.4 52.7 -64.9 -46.3 19.5 20.0 12.8 101 110 A Y H X S+ 0 0 30 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.903 109.8 50.6 -56.3 -40.7 23.4 20.4 13.1 102 111 A H H X S+ 0 0 125 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.936 112.9 44.6 -62.4 -46.0 23.5 21.1 9.4 103 112 A H H X S+ 0 0 86 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.925 115.5 46.2 -63.3 -49.9 20.7 23.8 9.7 104 113 A W H X S+ 0 0 2 -4,-3.1 4,-0.9 1,-0.2 3,-0.5 0.918 112.2 50.5 -65.9 -37.8 22.1 25.4 12.8 105 114 A G H < S+ 0 0 6 -4,-2.6 7,-0.3 -5,-0.2 -1,-0.2 0.806 107.1 57.1 -68.3 -27.9 25.7 25.5 11.4 106 115 A S H < S+ 0 0 77 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.789 115.8 33.5 -72.2 -30.2 24.4 27.1 8.2 107 116 A V H < S+ 0 0 72 -4,-1.3 2,-0.4 -3,-0.5 -1,-0.2 0.449 123.3 46.6 -97.4 -5.0 22.8 30.0 10.0 108 117 A D X - 0 0 8 -4,-0.9 4,-2.5 -5,-0.2 -1,-0.2 -0.793 57.1-169.1-150.1 98.7 25.4 30.3 12.7 109 118 A S H > S+ 0 0 83 -2,-0.4 4,-1.5 1,-0.2 -1,-0.1 0.842 91.5 51.9 -60.6 -27.5 29.1 30.2 12.0 110 119 A H H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 108.2 52.0 -75.9 -40.9 30.1 29.9 15.7 111 120 A F H > S+ 0 0 0 1,-0.2 4,-3.1 -7,-0.2 5,-0.2 0.918 105.5 56.9 -55.9 -43.5 27.7 26.9 16.1 112 121 A Q H X S+ 0 0 94 -4,-2.5 4,-1.0 -7,-0.3 -1,-0.2 0.920 106.9 47.9 -57.4 -41.4 29.3 25.3 13.2 113 122 A E H X S+ 0 0 137 -4,-1.5 4,-0.6 -5,-0.2 3,-0.5 0.939 115.4 43.4 -64.6 -45.8 32.7 25.5 14.8 114 123 A V H >X S+ 0 0 26 -4,-2.3 4,-1.4 1,-0.2 3,-1.3 0.898 106.0 63.3 -64.1 -42.4 31.5 24.1 18.2 115 124 A A H 3< S+ 0 0 12 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.800 92.1 65.5 -52.3 -33.7 29.4 21.3 16.5 116 125 A Q H 3< S+ 0 0 166 -4,-1.0 -1,-0.3 -3,-0.5 3,-0.3 0.867 110.9 33.0 -67.4 -31.9 32.5 19.9 15.0 117 126 A K H << S+ 0 0 176 -3,-1.3 2,-0.4 -4,-0.6 -1,-0.2 0.618 120.4 51.2 -90.3 -18.6 33.9 18.9 18.4 118 127 A F S >< S+ 0 0 35 -4,-1.4 3,-0.6 3,-0.0 -1,-0.2 -0.547 71.7 163.1-124.0 68.2 30.6 18.1 20.1 119 128 A Q T 3 + 0 0 54 -2,-0.4 -97,-0.1 -3,-0.3 -96,-0.1 -0.412 57.0 32.1 -84.1 154.0 28.7 15.7 17.9 120 129 A G T 3 + 0 0 0 -98,-0.8 -95,-2.4 1,-0.2 2,-1.3 0.651 67.8 145.7 82.9 15.7 25.7 13.7 19.1 121 130 A V < + 0 0 1 -3,-0.6 -1,-0.2 -97,-0.2 2,-0.2 -0.750 23.6 157.5 -86.8 96.3 24.3 16.1 21.7 122 131 A R - 0 0 2 -2,-1.3 2,-0.5 -97,-0.1 -30,-0.1 -0.643 40.7-102.8-111.7 179.4 20.6 15.5 21.4 123 132 A L - 0 0 0 -2,-0.2 2,-0.1 -31,-0.1 181,-0.1 -0.848 24.8-134.0-111.3 135.0 17.7 16.1 23.8 124 133 A L - 0 0 0 -2,-0.5 2,-0.7 -95,-0.1 -33,-0.2 -0.389 14.5-130.5 -76.3 158.7 16.0 13.4 25.9 125 134 A R - 0 0 80 -35,-2.7 2,-0.2 -36,-0.2 124,-0.2 -0.951 37.1-165.1-110.8 104.0 12.2 13.3 26.1 126 135 A Q - 0 0 7 122,-2.8 -91,-0.0 -2,-0.7 -35,-0.0 -0.571 26.1 -98.6 -93.8 150.2 11.7 13.1 29.9 127 136 A D > - 0 0 82 -2,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.435 37.0-125.2 -59.4 133.9 8.7 12.2 32.0 128 137 A P H > S+ 0 0 5 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.896 104.2 45.0 -54.8 -44.8 7.0 15.3 33.1 129 138 A I H > S+ 0 0 12 2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.960 115.2 47.4 -64.3 -45.0 6.9 14.7 36.9 130 139 A E H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.951 116.5 45.1 -60.7 -44.1 10.6 13.5 37.0 131 140 A C H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.945 112.5 51.9 -62.5 -47.8 11.6 16.6 34.9 132 141 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.948 116.3 37.2 -56.1 -57.2 9.6 19.0 36.9 133 142 A F H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.872 113.8 54.5 -69.9 -31.9 10.9 18.0 40.3 134 143 A S H < S+ 0 0 2 -4,-2.3 4,-0.5 -5,-0.3 -2,-0.2 0.949 111.0 46.7 -64.9 -42.8 14.4 17.4 39.2 135 144 A F H >X S+ 0 0 4 -4,-2.8 3,-0.8 1,-0.2 4,-0.7 0.850 105.3 58.9 -70.1 -29.1 14.6 20.9 37.7 136 145 A I H >< S+ 0 0 0 -4,-2.1 3,-0.8 -5,-0.3 -1,-0.2 0.924 107.3 48.8 -56.9 -41.1 13.1 22.4 40.8 137 146 A C T 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.636 103.8 65.0 -70.2 -13.3 16.1 20.8 42.6 138 147 A S T X4 S+ 0 0 14 -3,-0.8 3,-0.6 -4,-0.5 -1,-0.2 0.629 70.0 115.4 -86.8 -13.9 18.4 22.4 40.0 139 148 A S T << S- 0 0 30 -3,-0.8 3,-0.1 -4,-0.7 56,-0.1 -0.223 90.2 -5.1 -70.8 139.6 18.0 26.1 40.7 140 149 A N T 3 S+ 0 0 139 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.939 118.3 95.7 48.8 55.4 21.0 28.1 42.0 141 150 A N S < S- 0 0 38 -3,-0.6 2,-0.3 4,-0.0 -1,-0.2 -0.953 72.6-101.7-162.9 170.2 23.0 24.9 42.2 142 151 A N > - 0 0 94 -2,-0.3 4,-2.9 -3,-0.1 5,-0.3 -0.838 28.5-116.6-117.6 150.0 25.5 22.6 40.5 143 152 A I H > S+ 0 0 42 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.853 111.9 53.6 -53.9 -41.5 25.0 19.4 38.5 144 153 A A H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.958 115.6 40.8 -63.4 -45.4 27.1 17.1 40.9 145 154 A R H > S+ 0 0 90 -3,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.923 113.7 52.2 -64.8 -49.3 25.0 18.3 43.9 146 155 A I H X S+ 0 0 6 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.904 106.1 56.2 -51.6 -45.0 21.7 18.2 42.1 147 156 A T H X S+ 0 0 16 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.920 109.4 45.1 -54.9 -46.8 22.5 14.6 41.1 148 157 A G H X S+ 0 0 11 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.906 111.4 53.2 -63.1 -43.1 23.0 13.5 44.7 149 158 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.931 110.8 46.6 -57.8 -44.0 19.8 15.4 45.8 150 159 A V H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.897 111.6 51.4 -63.9 -41.1 17.7 13.6 43.2 151 160 A E H X S+ 0 0 74 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.949 112.9 45.1 -61.8 -41.5 19.2 10.2 44.1 152 161 A R H X S+ 0 0 91 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.861 111.0 54.0 -78.8 -34.9 18.4 10.7 47.7 153 162 A L H X S+ 0 0 1 -4,-2.8 4,-1.9 -5,-0.2 5,-0.3 0.914 111.7 44.2 -57.3 -46.3 14.9 12.0 46.9 154 163 A C H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.846 112.0 53.3 -71.0 -35.4 14.2 8.8 44.9 155 164 A Q H < S+ 0 0 133 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.933 115.8 39.4 -63.8 -44.5 15.7 6.6 47.6 156 165 A A H < S+ 0 0 38 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.809 134.1 17.2 -75.3 -28.7 13.5 8.1 50.3 157 166 A F H < S+ 0 0 45 -4,-1.9 17,-0.4 -5,-0.2 -3,-0.2 0.506 105.5 81.9-127.6 -13.1 10.2 8.5 48.3 158 167 A G S < S- 0 0 12 -4,-2.1 14,-0.1 -5,-0.3 3,-0.1 -0.755 83.1 -92.7 -98.9 159.5 10.3 6.3 45.2 159 168 A P - 0 0 80 0, 0.0 12,-2.8 0, 0.0 2,-0.2 -0.333 41.8-112.8 -71.7 135.5 9.7 2.5 44.8 160 169 A R E +E 170 0B 147 10,-0.2 10,-0.2 1,-0.2 3,-0.1 -0.525 37.4 175.6 -64.0 133.4 12.6 0.2 45.0 161 170 A L E - 0 0 45 8,-3.1 2,-0.3 1,-0.4 9,-0.2 0.829 50.9 -37.3-104.0 -66.6 13.3 -1.4 41.7 162 171 A I E -E 169 0B 11 7,-0.9 7,-3.1 -91,-0.1 2,-0.4 -0.976 46.0-127.7-157.0 164.3 16.5 -3.6 41.8 163 172 A Q E -E 168 0B 113 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.973 18.0-175.0-122.6 130.9 19.9 -3.6 43.4 164 173 A L E > -E 167 0B 16 3,-2.5 3,-2.6 -2,-0.4 -160,-0.1 -0.997 69.0 -36.1-126.2 127.9 23.2 -4.1 41.4 165 174 A D T 3 S- 0 0 98 -2,-0.4 -162,-0.1 1,-0.3 -2,-0.0 -0.461 126.9 -30.0 52.4-129.5 26.4 -4.4 43.3 166 175 A D T 3 S+ 0 0 145 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.094 118.0 103.2 -96.9 13.2 25.8 -1.9 46.2 167 176 A V E < -E 164 0B 33 -3,-2.6 -3,-2.5 2,-0.0 2,-0.6 -0.878 53.1-163.1-104.3 122.4 23.6 0.4 44.2 168 177 A T E -E 163 0B 56 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.906 11.4-150.0-102.1 127.5 19.8 0.3 44.7 169 178 A Y E -E 162 0B 18 -7,-3.1 -8,-3.1 -2,-0.6 -7,-0.9 -0.767 13.6-169.7 -97.5 142.1 17.8 1.9 42.0 170 179 A H E -E 160 0B 27 -2,-0.4 -10,-0.2 -10,-0.2 -121,-0.1 -0.941 22.8-114.1-125.9 152.6 14.4 3.5 42.7 171 180 A G - 0 0 1 -12,-2.8 -14,-0.1 -2,-0.3 3,-0.1 -0.281 49.1 -88.0 -71.3 158.8 11.6 4.9 40.5 172 181 A F - 0 0 25 -14,-0.1 -1,-0.1 1,-0.1 -42,-0.1 -0.578 55.9 -97.7 -66.3 141.6 10.9 8.6 40.6 173 182 A P - 0 0 3 0, 0.0 -15,-0.2 0, 0.0 -1,-0.1 -0.186 34.1-120.5 -59.7 145.8 8.4 9.5 43.4 174 183 A S > - 0 0 58 -17,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.386 27.0-108.3 -71.7 158.2 4.7 9.9 42.7 175 184 A L H > S+ 0 0 6 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.919 120.6 58.4 -48.3 -44.0 2.9 13.3 43.4 176 185 A Q H 4 S+ 0 0 121 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.921 106.5 45.5 -55.9 -48.3 1.2 11.5 46.3 177 186 A A H >4 S+ 0 0 31 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.894 115.7 46.4 -62.1 -40.8 4.5 10.6 47.9 178 187 A L H 3< S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.860 111.5 51.4 -73.1 -29.3 5.9 14.1 47.4 179 188 A A T 3< S+ 0 0 13 -4,-3.0 -1,-0.2 24,-0.2 -2,-0.2 0.384 91.6 114.8 -81.6 -3.6 2.7 15.7 48.7 180 189 A G S X S- 0 0 16 -3,-0.8 3,-1.4 -4,-0.4 4,-0.3 -0.087 75.6 -72.4 -74.6 169.7 2.7 13.6 51.9 181 190 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.299 110.4 3.6 -60.6 142.4 3.1 14.7 55.5 182 191 A E T 3> S+ 0 0 166 -3,-0.1 4,-1.5 1,-0.1 5,-0.2 0.523 85.0 130.8 67.4 10.9 6.5 15.7 56.8 183 192 A V H <> + 0 0 4 -3,-1.4 4,-3.1 1,-0.2 5,-0.2 0.912 68.4 55.2 -61.7 -46.1 8.1 15.4 53.3 184 193 A E H > S+ 0 0 39 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.944 107.7 48.3 -52.7 -49.3 9.7 18.9 53.6 185 194 A A H > S+ 0 0 59 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.862 112.3 47.9 -56.6 -43.0 11.4 18.1 56.9 186 195 A H H X S+ 0 0 84 -4,-1.5 4,-1.6 -3,-0.2 -2,-0.2 0.922 110.1 53.4 -68.5 -40.9 12.8 14.8 55.5 187 196 A L H <>S+ 0 0 0 -4,-3.1 5,-2.1 1,-0.2 6,-0.3 0.862 105.3 54.8 -64.3 -33.7 14.0 16.6 52.4 188 197 A R H ><5S+ 0 0 103 -4,-2.4 3,-1.5 -5,-0.2 5,-0.3 0.916 106.5 49.9 -60.0 -44.8 15.9 19.1 54.6 189 198 A K H 3<5S+ 0 0 191 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.773 105.2 58.6 -67.2 -24.5 17.7 16.3 56.3 190 199 A L T 3<5S- 0 0 36 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.441 122.4-108.3 -83.8 1.1 18.5 14.9 52.8 191 200 A G T < 5S+ 0 0 33 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.721 75.5 137.4 92.2 19.5 20.3 18.2 52.1 192 201 A L > < - 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