==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAR-03 1OTX . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.E.EALICK,E.M.BENNETT,R.ANAND,J.A.SECRIST,W.B.PARKER,A.E.HA . 710 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 541 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 65 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.4 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 3 0 1 2 0 4 2 0 2 3 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 2 1 0 1 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 0 3 3 0 3 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 0 0 2 1 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 2 A T 0 0 53 0, 0.0 3,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 172.2 106.5 48.1 32.2 2 3 A P + 0 0 106 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.852 360.0 20.7 -49.9 -39.5 106.2 47.4 28.4 3 4 A H S S+ 0 0 41 1,-0.2 2,-0.5 67,-0.1 41,-0.1 0.531 121.4 59.4-110.0 -9.4 105.4 51.1 27.8 4 5 A I - 0 0 0 2,-0.1 2,-1.3 36,-0.1 -1,-0.2 -0.947 61.7-162.5-124.9 110.6 106.8 52.8 30.9 5 6 A N + 0 0 98 -2,-0.5 2,-0.3 -3,-0.1 35,-0.1 -0.663 56.2 91.7 -93.8 82.8 110.5 52.4 31.6 6 7 A A - 0 0 9 -2,-1.3 2,-0.2 33,-0.1 -2,-0.1 -0.936 64.9-115.0-158.4 173.9 110.6 53.4 35.3 7 8 A E > - 0 0 127 -2,-0.3 3,-2.3 1,-0.1 4,-0.4 -0.733 47.2 -70.4-118.5 167.4 110.3 52.0 38.8 8 9 A M T 3 S+ 0 0 130 1,-0.3 71,-0.1 -2,-0.2 -1,-0.1 -0.294 121.2 30.2 -53.6 135.7 107.8 52.4 41.7 9 10 A G T 3 S+ 0 0 37 70,-0.3 -1,-0.3 2,-0.2 70,-0.1 0.053 89.2 98.8 101.2 -25.6 108.2 55.9 43.1 10 11 A D S < S+ 0 0 42 -3,-2.3 2,-0.3 28,-0.1 -2,-0.1 0.847 80.7 55.6 -65.1 -32.7 109.2 57.6 39.9 11 12 A F S S- 0 0 6 -4,-0.4 -2,-0.2 68,-0.1 37,-0.1 -0.705 86.5-121.0-100.8 153.5 105.6 58.9 39.3 12 13 A A - 0 0 1 2,-0.3 44,-0.1 -2,-0.3 -1,-0.1 -0.286 32.1-107.6 -79.2 173.9 103.5 60.9 41.7 13 14 A D S S+ 0 0 66 42,-0.2 70,-2.4 68,-0.2 69,-2.0 0.471 109.7 59.6 -82.9 0.7 100.2 59.5 42.8 14 15 A V E -a 83 0A 0 68,-0.2 43,-2.2 41,-0.2 2,-0.5 -0.990 69.9-173.0-131.3 121.6 98.6 62.1 40.6 15 16 A V E -ab 84 57A 0 68,-2.2 70,-2.7 -2,-0.4 2,-0.5 -0.964 14.6-151.0-122.7 127.6 99.3 62.2 36.9 16 17 A L E -ab 85 58A 2 41,-3.2 43,-1.9 -2,-0.5 70,-0.2 -0.802 17.6-160.6 -91.2 132.6 98.2 64.8 34.4 17 18 A M E -a 86 0A 0 68,-3.6 70,-1.5 -2,-0.5 43,-0.2 -0.859 9.0-174.4-124.3 101.6 97.8 63.3 30.9 18 19 A P E -a 87 0A 0 0, 0.0 43,-2.0 0, 0.0 44,-0.4 -0.452 29.5-126.4 -82.8 162.3 97.7 65.5 27.8 19 20 A G S S+ 0 0 10 68,-0.6 43,-1.2 41,-0.2 69,-0.1 0.988 95.6 57.3 -70.5 -61.6 97.0 64.0 24.4 20 21 A D S > S- 0 0 55 1,-0.1 3,-1.2 40,-0.1 4,-0.4 -0.550 75.8-146.3 -73.7 125.8 100.1 65.3 22.6 21 22 A P T >> S+ 0 0 37 0, 0.0 3,-2.4 0, 0.0 4,-0.9 0.870 97.4 67.7 -58.6 -38.6 103.3 64.1 24.3 22 23 A L H 3> S+ 0 0 136 1,-0.3 4,-1.4 2,-0.2 3,-0.3 0.823 94.4 59.8 -51.1 -32.9 105.0 67.4 23.3 23 24 A R H <> S+ 0 0 56 -3,-1.2 4,-2.1 1,-0.2 -1,-0.3 0.714 92.5 65.4 -70.3 -22.2 102.6 69.0 25.7 24 25 A A H <> S+ 0 0 0 -3,-2.4 4,-2.2 -4,-0.4 -1,-0.2 0.919 103.4 45.9 -67.5 -41.3 104.0 67.0 28.6 25 26 A K H X S+ 0 0 110 -4,-0.9 4,-2.5 -3,-0.3 5,-0.3 0.907 111.4 52.6 -65.1 -43.6 107.4 68.7 28.4 26 27 A Y H X S+ 0 0 58 -4,-1.4 4,-1.5 1,-0.2 5,-0.2 0.891 110.8 47.3 -59.0 -42.7 105.7 72.1 28.1 27 28 A I H X>S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 5,-0.9 0.906 111.0 52.4 -65.5 -43.1 103.7 71.4 31.3 28 29 A A H X5S+ 0 0 4 -4,-2.2 4,-0.7 1,-0.2 7,-0.3 0.911 116.5 36.7 -61.9 -45.6 106.8 70.2 33.1 29 30 A E H <5S+ 0 0 137 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.688 123.3 43.4 -83.8 -16.1 108.9 73.3 32.3 30 31 A T H <5S+ 0 0 69 -4,-1.5 -2,-0.2 -5,-0.3 -3,-0.2 0.840 130.5 12.8 -96.3 -37.7 106.0 75.8 32.6 31 32 A F H <5S+ 0 0 29 -4,-2.8 2,-0.3 -5,-0.2 -3,-0.2 0.595 111.1 72.3-116.7 -14.6 104.1 74.7 35.7 32 33 A L << - 0 0 13 -5,-0.9 2,-0.3 -4,-0.7 3,-0.2 -0.765 62.4-147.7-105.7 152.5 106.2 72.2 37.6 33 34 A E E S+C 50 0A 122 17,-2.6 17,-2.0 -2,-0.3 -3,-0.0 -0.856 78.3 11.2-114.9 151.8 109.4 72.9 39.6 34 35 A D E S- 0 0 144 -2,-0.3 -1,-0.2 15,-0.2 14,-0.1 0.778 86.8-179.8 55.3 29.6 112.3 70.6 40.0 35 36 A A E - 0 0 43 -7,-0.3 2,-0.3 -3,-0.2 14,-0.2 -0.259 10.1-168.0 -62.6 147.7 110.9 68.4 37.2 36 37 A R E -C 48 0A 109 12,-2.0 12,-2.1 0, 0.0 2,-0.4 -0.984 25.9-110.5-137.2 146.0 112.8 65.2 36.2 37 38 A E E +C 47 0A 109 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.619 35.8 169.3 -78.2 131.2 112.3 62.9 33.2 38 39 A V E + 0 0 13 8,-3.3 2,-0.3 -2,-0.4 9,-0.2 0.478 61.8 24.2-121.4 -5.0 110.9 59.5 34.2 39 40 A N E +C 46 0A 0 7,-1.0 7,-2.2 -35,-0.1 -1,-0.3 -0.958 38.7 161.8-161.6 141.7 110.0 57.9 30.9 40 41 A N > + 0 0 84 -2,-0.3 3,-2.9 5,-0.2 5,-0.2 0.349 33.1 140.2-137.6 -5.9 111.0 58.2 27.2 41 42 A V G > S- 0 0 34 1,-0.3 3,-2.0 2,-0.2 -38,-0.0 -0.172 84.6 -2.8 -49.5 126.1 109.8 54.9 25.8 42 43 A R G 3 S- 0 0 198 1,-0.3 -1,-0.3 2,-0.0 3,-0.1 0.630 125.0 -72.6 63.9 14.4 108.2 55.5 22.3 43 44 A G G < S+ 0 0 45 -3,-2.9 2,-1.8 1,-0.2 -1,-0.3 0.573 96.7 139.8 77.7 7.8 108.9 59.2 22.8 44 45 A M < - 0 0 20 -3,-2.0 -1,-0.2 -4,-0.2 -3,-0.2 -0.633 44.8-153.7 -85.6 81.4 106.1 59.3 25.3 45 46 A L - 0 0 48 -2,-1.8 15,-0.7 -5,-0.2 2,-0.4 -0.346 12.3-167.2 -64.2 130.7 107.9 61.6 27.7 46 47 A G E -CD 39 59A 0 -7,-2.2 -8,-3.3 13,-0.2 -7,-1.0 -0.943 4.0-172.9-121.9 141.6 107.0 61.5 31.4 47 48 A F E -CD 37 58A 20 11,-3.2 11,-2.7 -2,-0.4 2,-0.4 -0.971 9.8-162.6-135.1 148.7 108.0 64.0 34.1 48 49 A T E +CD 36 57A 1 -12,-2.1 -12,-2.0 -2,-0.3 2,-0.3 -0.980 34.0 118.1-127.8 139.5 107.6 64.2 37.9 49 50 A G E - D 0 56A 7 7,-3.0 7,-3.5 -2,-0.4 2,-0.3 -0.858 52.5 -74.0-169.5-155.9 108.0 67.4 39.9 50 51 A T E -CD 33 55A 35 -17,-2.0 -17,-2.6 5,-0.3 2,-0.4 -0.936 16.7-164.6-131.2 153.4 106.1 69.7 42.2 51 52 A Y E > S- D 0 54A 22 3,-2.4 3,-2.1 -2,-0.3 -19,-0.1 -0.960 88.3 -22.1-133.1 109.5 103.4 72.3 42.0 52 53 A K T 3 S- 0 0 138 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.915 130.4 -48.6 51.4 47.1 103.2 74.5 45.1 53 54 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 -20,-0.0 -1,-0.3 0.148 113.6 122.2 84.1 -19.2 104.9 71.7 47.1 54 55 A R E < - D 0 51A 41 -3,-2.1 -3,-2.4 1,-0.1 2,-0.2 -0.631 65.3-124.7 -81.5 126.9 102.6 69.0 45.7 55 56 A K E + D 0 50A 80 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.3 -0.525 40.8 171.5 -70.6 132.7 104.3 66.2 43.9 56 57 A I E - D 0 49A 1 -7,-3.5 -7,-3.0 -2,-0.2 2,-0.3 -0.998 22.9-152.5-146.8 148.3 102.9 65.7 40.4 57 58 A S E -bD 15 48A 0 -43,-2.2 -41,-3.2 -2,-0.3 2,-0.4 -0.909 7.5-167.2-121.3 150.0 103.6 63.8 37.2 58 59 A V E +bD 16 47A 1 -11,-2.7 -11,-3.2 -2,-0.3 2,-0.3 -0.998 18.8 146.8-136.9 137.9 102.8 64.6 33.6 59 60 A M E - D 0 46A 0 -43,-1.9 -13,-0.2 -2,-0.4 2,-0.1 -0.908 45.0-103.3-169.3 141.3 103.0 62.4 30.5 60 61 A G - 0 0 0 -15,-0.7 -41,-0.2 -2,-0.3 -40,-0.1 -0.415 18.4-162.0 -71.6 144.4 101.1 62.0 27.2 61 62 A H - 0 0 0 -43,-2.0 10,-0.2 1,-0.1 9,-0.2 0.406 37.5-124.1-106.3 1.3 98.6 59.2 26.9 62 63 A G - 0 0 11 -43,-1.2 6,-0.3 -44,-0.4 2,-0.2 0.192 37.7 -57.4 74.5 165.4 98.3 59.1 23.1 63 64 A V S S+ 0 0 112 4,-0.1 4,-0.4 -44,-0.1 117,-0.1 -0.464 97.3 22.3 -81.9 114.9 95.2 59.5 20.8 64 65 A G S > S- 0 0 8 -2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.122 86.5 -83.0 102.6 157.6 92.4 57.0 21.3 65 66 A I H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.915 121.3 55.3 -64.3 -47.6 91.0 54.7 24.0 66 67 A P H > S+ 0 0 87 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.907 110.9 48.0 -54.0 -41.5 93.3 51.7 23.3 67 68 A S H >> S+ 0 0 31 -4,-0.4 4,-1.5 2,-0.2 3,-1.1 0.985 114.3 39.9 -63.7 -63.4 96.3 54.0 23.8 68 69 A C H 3X S+ 0 0 0 -4,-1.9 4,-2.6 -6,-0.3 5,-0.3 0.773 108.7 65.8 -61.2 -23.2 95.4 55.8 27.1 69 70 A S H 3X S+ 0 0 17 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.3 0.888 101.5 48.7 -64.8 -38.0 94.1 52.5 28.3 70 71 A I H S+ 0 0 15 -4,-2.4 4,-2.6 1,-0.2 5,-0.6 0.889 114.3 49.2 -58.5 -40.5 100.2 50.5 33.9 75 76 A L H X5S+ 0 0 0 -4,-2.4 6,-2.1 3,-0.2 4,-1.4 0.943 113.9 45.9 -64.5 -47.9 100.4 53.7 36.1 76 77 A I H <5S+ 0 0 18 -4,-2.9 4,-0.5 -5,-0.2 -2,-0.2 0.983 124.6 30.5 -57.1 -61.2 97.5 52.5 38.3 77 78 A T H <5S+ 0 0 59 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.697 131.0 29.8 -75.3 -24.5 98.8 48.9 38.8 78 79 A D H <5S+ 0 0 71 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.674 126.1 34.2-112.9 -18.0 102.6 49.4 38.6 79 80 A F S < S- 0 0 15 81,-0.3 3,-1.4 80,-0.3 112,-0.1 -0.651 72.8-135.6 -84.8 139.6 75.5 72.1 21.4 95 96 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.850 104.8 53.4 -61.9 -35.0 74.7 75.6 20.1 96 97 A H T 3 S+ 0 0 115 1,-0.1 2,-0.9 2,-0.1 -2,-0.0 0.441 86.4 92.0 -83.2 2.4 75.2 77.1 23.5 97 98 A V < - 0 0 0 -3,-1.4 -5,-0.1 4,-0.0 -1,-0.1 -0.828 66.5-163.1 -99.0 100.7 78.7 75.6 24.0 98 99 A K > - 0 0 108 -2,-0.9 3,-1.3 1,-0.1 103,-0.2 -0.276 28.1 -82.7 -79.5 166.7 81.1 78.2 22.7 99 100 A L T 3 S+ 0 0 18 1,-0.2 103,-0.2 101,-0.1 -1,-0.1 -0.398 113.7 23.8 -68.8 146.4 84.8 77.7 21.7 100 101 A R T 3 S+ 0 0 79 101,-2.4 -1,-0.2 1,-0.3 102,-0.1 0.448 86.7 145.3 77.7 1.1 87.4 77.8 24.5 101 102 A D < - 0 0 41 -3,-1.3 100,-2.1 99,-0.1 2,-0.5 -0.418 51.6-123.0 -67.1 145.5 84.7 76.8 27.0 102 103 A V E -gH 147 200A 5 44,-1.0 46,-2.8 98,-0.2 2,-0.4 -0.816 29.6-167.2 -94.4 132.9 86.0 74.5 29.7 103 104 A V E -gH 148 199A 0 96,-3.1 96,-2.5 -2,-0.5 2,-0.5 -0.979 11.0-156.1-125.3 132.4 84.2 71.2 30.0 104 105 A I E -gH 149 198A 0 44,-3.3 46,-2.2 -2,-0.4 2,-1.7 -0.930 17.0-137.7-109.1 122.4 84.3 68.6 32.9 105 106 A G E +g 150 0A 0 92,-2.5 92,-0.3 -2,-0.5 23,-0.2 -0.543 31.3 166.3 -82.5 82.3 83.5 65.1 32.0 106 107 A M E S+ 0 0 94 -2,-1.7 22,-2.4 44,-1.2 2,-0.3 0.876 80.2 6.0 -59.0 -33.4 81.3 63.9 34.9 107 108 A G E -gI 151 127A 5 43,-1.8 45,-1.9 20,-0.2 2,-0.4 -0.936 69.7-143.9-144.6 165.2 80.5 61.1 32.5 108 109 A A E -g 152 0A 8 18,-2.0 18,-0.4 -2,-0.3 45,-0.2 -0.904 5.4-160.8-142.7 113.9 81.5 59.8 29.1 109 110 A C E +g 153 0A 42 43,-3.6 45,-3.4 -2,-0.4 73,-0.3 -0.360 24.1 176.8 -78.6 167.4 79.4 58.2 26.4 110 111 A T E -g 154 0A 39 43,-0.2 45,-0.2 2,-0.1 69,-0.0 -0.991 44.1-142.5-168.4 162.1 81.1 56.1 23.7 111 112 A D S S+ 0 0 76 43,-1.2 2,-0.1 -2,-0.3 44,-0.1 0.197 72.3 107.6-113.2 10.8 80.9 53.9 20.6 112 113 A S - 0 0 14 42,-0.4 4,-0.2 1,-0.1 3,-0.1 -0.379 66.0-139.6 -82.9 166.0 83.8 51.6 21.7 113 114 A K S > S+ 0 0 79 1,-0.1 4,-2.6 2,-0.1 3,-0.3 0.477 74.4 101.0-105.9 -4.4 83.3 48.1 23.0 114 115 A V H > S+ 0 0 35 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.891 86.4 42.5 -49.2 -49.5 85.9 48.1 25.8 115 116 A N H > S+ 0 0 12 2,-0.2 4,-3.4 1,-0.2 7,-0.3 0.835 112.6 53.2 -71.4 -29.4 83.4 48.6 28.6 116 117 A R H 4>S+ 0 0 128 -3,-0.3 5,-3.5 2,-0.2 6,-0.3 0.887 108.0 51.4 -71.5 -34.4 80.9 46.1 27.1 117 118 A I H ><5S+ 0 0 105 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.903 117.6 40.6 -64.5 -37.9 83.7 43.6 27.0 118 119 A R H 3<5S+ 0 0 83 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.855 116.6 47.9 -76.4 -39.0 84.4 44.5 30.7 119 120 A F T ><5S- 0 0 96 -4,-3.4 3,-1.8 3,-0.2 -1,-0.2 -0.150 116.9 -97.3-102.0 38.7 80.7 44.7 31.8 120 121 A K T < 5S- 0 0 168 -3,-0.5 -3,-0.2 1,-0.3 -4,-0.1 0.861 79.8 -61.5 51.9 40.9 79.2 41.5 30.4 121 122 A D T 3 - 0 0 34 66,-2.2 4,-1.8 1,-0.2 5,-0.1 -0.685 37.1-140.3 -78.5 124.9 85.5 60.7 40.5 130 131 A F H >> S+ 0 0 127 -2,-0.5 4,-2.9 1,-0.2 3,-0.6 0.935 99.8 49.5 -51.8 -55.5 83.0 63.1 42.0 131 132 A D H 3> S+ 0 0 82 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.908 111.2 51.7 -52.8 -41.1 85.4 64.8 44.4 132 133 A M H 3> S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.834 109.8 50.0 -65.6 -31.3 87.7 65.3 41.4 133 134 A V H <>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.2 3,-0.8 0.957 109.7 52.0 -57.6 -50.2 87.9 76.9 37.8 141 142 A K H ><5S+ 0 0 132 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.914 106.7 53.3 -53.2 -46.4 85.6 79.2 39.7 142 143 A A H 3<5S+ 0 0 87 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.805 107.3 51.5 -60.8 -29.9 88.5 80.5 41.7 143 144 A L T <<5S- 0 0 65 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.310 120.4-112.3 -88.3 9.3 90.3 81.3 38.5 144 145 A G T < 5S+ 0 0 58 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.687 72.4 142.3 69.1 17.3 87.2 83.1 37.3 145 146 A I < - 0 0 36 -5,-2.7 2,-0.6 -6,-0.2 -1,-0.2 -0.717 51.1-131.4 -95.4 141.8 86.6 80.5 34.7 146 147 A D - 0 0 123 -2,-0.3 -44,-1.0 -3,-0.1 2,-0.5 -0.794 26.2-166.7 -90.8 123.6 83.2 79.2 33.7 147 148 A A E -g 102 0A 31 -2,-0.6 2,-0.4 -10,-0.1 -44,-0.2 -0.949 10.3-152.9-121.0 124.6 83.1 75.4 33.7 148 149 A R E -g 103 0A 88 -46,-2.8 -44,-3.3 -2,-0.5 2,-0.4 -0.734 13.8-159.7 -90.7 136.5 80.4 73.2 32.1 149 150 A V E +g 104 0A 54 -2,-0.4 2,-0.3 -46,-0.2 -44,-0.2 -0.964 39.0 81.0-121.4 134.3 79.9 69.7 33.6 150 151 A G E S-g 105 0A 11 -46,-2.2 -43,-1.8 -2,-0.4 -44,-1.2 -0.919 73.0 -14.1 173.5-147.0 78.2 66.8 32.0 151 152 A N E -g 107 0A 64 22,-0.3 24,-2.6 -2,-0.3 25,-0.8 -0.606 43.9-163.9 -89.6 145.7 78.7 64.0 29.5 152 153 A L E -gj 108 176A 0 -45,-1.9 -43,-3.6 -2,-0.3 2,-0.5 -0.737 17.3-132.7-114.2 165.4 81.5 63.7 27.0 153 154 A F E -gj 109 177A 12 23,-1.9 25,-2.8 -2,-0.3 2,-1.0 -0.985 9.8-153.8-125.2 120.2 81.4 61.4 24.0 154 155 A S E -gj 110 178A 0 -45,-3.4 -43,-1.2 -2,-0.5 -42,-0.4 -0.814 16.9-161.8 -95.6 99.9 84.5 59.2 23.4 155 156 A A - 0 0 9 23,-2.7 -90,-0.2 -2,-1.0 3,-0.1 -0.561 19.4-161.5 -82.0 143.6 84.5 58.5 19.7 156 157 A D S S+ 0 0 67 1,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.651 87.0 51.5 -94.0 -21.7 86.6 55.6 18.4 157 158 A L - 0 0 91 1,-0.2 3,-0.5 -3,-0.0 -1,-0.2 -0.944 59.3-171.0-121.0 112.8 86.4 57.2 14.9 158 159 A F S S+ 0 0 142 -2,-0.5 2,-0.7 1,-0.3 -1,-0.2 0.860 97.9 44.4 -63.4 -34.6 87.4 60.8 14.6 159 160 A Y S S- 0 0 198 -3,-0.1 -1,-0.3 2,-0.0 -3,-0.0 -0.759 90.0-173.5-110.6 79.1 86.0 60.4 11.0 160 161 A S - 0 0 47 -2,-0.7 -2,-0.0 -3,-0.5 -5,-0.0 -0.494 28.4-141.9 -78.5 145.4 82.8 58.5 11.7 161 162 A P S S+ 0 0 80 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.683 89.4 76.6 -75.9 -20.3 80.7 57.1 8.9 162 163 A D > + 0 0 75 1,-0.2 3,-0.8 2,-0.1 4,-0.3 -0.784 51.6 171.3 -96.9 96.3 77.5 58.0 10.9 163 164 A G T > S+ 0 0 56 -2,-1.0 3,-0.6 1,-0.2 4,-0.3 0.638 74.9 68.5 -77.9 -12.2 77.0 61.7 10.6 164 165 A E T >> S+ 0 0 136 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.643 80.4 76.2 -79.0 -16.5 73.6 61.4 12.3 165 166 A M H <> S+ 0 0 55 -3,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.773 85.3 63.5 -66.2 -27.0 75.2 60.4 15.6 166 167 A F H <> S+ 0 0 59 -3,-0.6 4,-1.8 -4,-0.3 -1,-0.2 0.813 101.5 50.6 -67.7 -29.8 76.1 64.1 16.2 167 168 A D H <> S+ 0 0 96 -3,-0.8 4,-2.4 -4,-0.3 -1,-0.2 0.857 109.1 50.6 -74.4 -37.6 72.4 64.9 16.2 168 169 A V H X S+ 0 0 52 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.924 110.6 49.8 -65.2 -43.3 71.8 62.2 18.8 169 170 A M H <>S+ 0 0 8 -4,-2.3 5,-2.3 1,-0.2 -2,-0.2 0.906 110.8 49.7 -61.1 -43.3 74.6 63.6 20.9 170 171 A E H ><5S+ 0 0 55 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.915 108.4 53.6 -63.2 -41.3 73.2 67.0 20.7 171 172 A K H 3<5S+ 0 0 151 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.802 110.3 46.6 -64.3 -30.5 69.8 65.7 21.7 172 173 A Y T 3<5S- 0 0 143 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.073 118.4-106.0-102.7 25.7 71.2 64.0 24.8 173 174 A G T < 5 + 0 0 35 -3,-1.4 -22,-0.3 1,-0.2 -3,-0.2 0.571 50.0 176.1 67.5 14.3 73.2 67.0 26.0 174 175 A I < - 0 0 6 -5,-2.3 -81,-0.4 -6,-0.2 -80,-0.3 -0.308 15.4-160.3 -53.6 126.9 76.7 65.8 25.1 175 176 A L - 0 0 12 -24,-2.6 2,-0.3 1,-0.3 -81,-0.3 0.818 63.8 -1.5 -80.5 -35.5 79.0 68.7 26.0 176 177 A G E - j 0 152A 0 -25,-0.8 -23,-1.9 -84,-0.2 2,-0.5 -0.996 58.2-130.3-157.8 154.8 82.0 67.7 23.9 177 178 A V E +Fj 91 153A 22 -86,-3.3 -86,-2.2 -2,-0.3 2,-0.2 -0.932 43.1 138.6-109.7 119.9 83.4 65.0 21.6 178 179 A E E - j 0 154A 7 -25,-2.8 -23,-2.7 -2,-0.5 -88,-0.1 -0.536 48.6-117.2-136.2-153.4 86.8 63.7 22.4 179 180 A M S S+ 0 0 30 -25,-0.3 -25,-0.1 -2,-0.2 -114,-0.1 0.266 88.2 40.6-144.6 20.3 88.4 60.2 22.3 180 181 A E S >> S+ 0 0 10 -116,-0.1 4,-2.0 -27,-0.1 3,-1.8 0.642 78.5 88.1-134.0 -45.6 89.7 59.0 25.7 181 182 A A H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.756 92.7 48.6 -26.7 -62.5 87.4 59.7 28.6 182 183 A A H 3> S+ 0 0 0 -73,-0.3 4,-1.1 1,-0.2 -1,-0.3 0.862 115.2 47.2 -54.3 -39.0 85.2 56.6 28.4 183 184 A G H <> S+ 0 0 0 -3,-1.8 4,-2.1 2,-0.2 3,-0.4 0.966 112.8 45.7 -67.9 -53.9 88.4 54.5 28.2 184 185 A I H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.3 -2,-0.2 0.864 112.2 52.2 -57.8 -39.2 90.2 56.1 31.1 185 186 A Y H X S+ 0 0 4 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.3 0.825 107.7 54.2 -67.1 -29.8 87.1 55.9 33.3 186 187 A G H X S+ 0 0 2 -4,-1.1 4,-1.9 -3,-0.4 -2,-0.2 0.945 109.1 45.5 -69.1 -47.9 86.9 52.3 32.4 187 188 A V H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 6,-0.2 0.898 109.5 55.7 -62.7 -41.9 90.4 51.5 33.5 188 189 A A H <>S+ 0 0 9 -4,-2.3 5,-2.4 1,-0.2 4,-0.2 0.917 110.5 44.9 -57.5 -44.3 90.0 53.5 36.7 189 190 A A H ><5S+ 0 0 60 -4,-1.7 3,-0.5 3,-0.2 -1,-0.2 0.837 111.8 53.6 -68.2 -34.9 86.9 51.5 37.7 190 191 A E H 3<5S+ 0 0 102 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 120.7 30.1 -68.4 -36.6 88.7 48.2 36.8 191 192 A F T 3<5S- 0 0 71 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.128 111.5-111.1-112.8 21.2 91.7 48.9 39.0 192 193 A G T < 5S+ 0 0 72 -3,-0.5 -3,-0.2 -4,-0.2 2,-0.2 0.766 72.4 124.9 58.8 34.0 90.1 50.9 41.7 193 194 A A < - 0 0 19 -5,-2.4 2,-0.4 -6,-0.2 -110,-0.2 -0.456 58.4-105.1-110.2-172.7 91.6 54.4 41.0 194 195 A K E -e 83 0A 96 -112,-3.0 -110,-1.9 -2,-0.2 2,-0.3 -0.950 33.7-177.2-120.3 137.2 90.1 57.8 40.3 195 196 A A E +e 84 0A 4 -2,-0.4 -66,-2.2 -112,-0.2 2,-0.3 -0.935 9.4 178.8-134.3 154.1 89.9 59.6 37.0 196 197 A L E -e 85 0A 0 -112,-2.2 -110,-2.8 -2,-0.3 2,-0.4 -0.991 13.0-152.2-149.0 149.0 88.8 63.0 35.5 197 198 A T E -e 86 0A 0 -2,-0.3 -92,-2.5 -92,-0.3 2,-0.4 -0.993 10.1-174.6-128.2 128.2 88.8 64.5 32.1 198 199 A I E +eH 87 104A 0 -112,-3.1 -110,-2.1 -2,-0.4 2,-0.4 -0.983 9.2 179.8-122.8 131.0 88.9 68.2 31.4 199 200 A C E -eH 88 103A 0 -96,-2.5 -96,-3.1 -2,-0.4 2,-0.4 -0.974 22.3-147.5-134.6 146.8 88.6 69.6 27.9 200 201 A T E -eH 89 102A 3 -112,-1.9 -110,-1.5 -2,-0.4 2,-0.5 -0.894 39.7-106.5-106.8 139.5 88.7 73.0 26.3 201 202 A V E +e 90 0A 0 -100,-2.1 -101,-2.4 -2,-0.4 -110,-0.2 -0.554 42.7 172.5 -71.0 120.9 86.4 73.3 23.2 202 203 A S E + 0 0 37 -112,-2.9 -111,-0.2 -2,-0.5 -1,-0.2 0.884 61.0 4.7 -90.2 -76.9 88.6 73.5 20.1 203 204 A D E - 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0 0 22 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.2 -0.781 61.0-105.6-145.4-173.2 54.7 27.6 35.4 670 195 C K E +a 559 0D 94 -112,-2.1 -110,-2.5 -2,-0.2 2,-0.3 -0.965 32.5 179.3-127.0 144.5 52.2 28.5 32.7 671 196 C A E -a 560 0D 2 -2,-0.4 -66,-1.7 -112,-0.2 2,-0.3 -0.972 11.9-175.7-144.4 157.2 51.0 31.9 31.5 672 197 C L E -a 561 0D 0 -112,-2.1 -110,-2.6 -2,-0.3 2,-0.5 -0.986 14.4-147.4-149.8 141.7 48.7 33.7 29.1 673 198 C T E -a 562 0D 0 -92,-0.5 -92,-2.8 -2,-0.3 2,-0.4 -0.956 12.2-176.9-116.6 127.2 48.1 37.3 28.3 674 199 C I E -aC 563 580D 0 -112,-3.4 -110,-2.2 -2,-0.5 2,-0.4 -0.979 13.5-170.6-119.0 131.6 44.8 38.6 27.2 675 200 C C E -aC 564 579D 0 -96,-2.7 -96,-3.1 -2,-0.4 2,-0.5 -0.962 20.5-145.8-130.3 148.3 44.6 42.3 26.3 676 201 C T E -aC 565 578D 15 -112,-2.4 -110,-1.8 -2,-0.4 2,-0.8 -0.931 32.8-118.0-107.9 124.3 41.9 44.9 25.6 677 202 C V E +a 566 0D 2 -100,-2.7 -101,-3.1 -2,-0.5 -100,-0.2 -0.509 38.8 172.7 -64.5 105.1 42.9 47.5 23.0 678 203 C S E + 0 0 20 -112,-2.1 2,-0.3 -2,-0.8 -1,-0.2 0.576 62.8 5.1 -91.4 -13.4 42.7 50.6 25.2 679 204 C D E -a 567 0D 32 -113,-1.2 -111,-2.6 7,-0.2 2,-0.6 -0.991 66.1-117.8-165.3 160.1 44.2 52.9 22.5 680 205 C H E > -a 568 0D 12 5,-0.6 4,-2.1 -2,-0.3 5,-0.4 -0.915 11.8-154.9-108.7 123.4 45.4 53.2 19.0 681 206 C I T 4 S+ 0 0 32 -113,-2.6 -112,-0.2 -2,-0.6 -1,-0.1 0.811 95.8 40.2 -64.1 -29.4 49.1 54.1 18.4 682 207 C R T 4 S+ 0 0 85 -114,-0.5 -1,-0.2 1,-0.1 -113,-0.1 0.949 125.8 29.5 -84.9 -54.6 48.3 55.6 15.0 683 208 C T T 4 S- 0 0 80 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.753 99.3-129.4 -79.0 -27.1 45.0 57.4 15.4 684 209 C H < + 0 0 139 -4,-2.1 2,-0.4 1,-0.2 -3,-0.1 0.992 46.4 152.0 75.1 74.4 45.4 58.3 19.1 685 210 C E - 0 0 97 -5,-0.4 -5,-0.6 3,-0.0 -1,-0.2 -0.951 21.5-166.6-139.1 117.0 42.3 57.3 21.0 686 211 C Q - 0 0 120 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.1 -0.324 44.9 -55.8 -94.0 178.7 42.2 56.3 24.7 687 212 C T + 0 0 64 -2,-0.1 2,-0.3 4,-0.0 -1,-0.2 -0.331 68.1 165.4 -58.3 125.3 39.6 54.6 26.8 688 213 C T > + 0 0 90 -2,-0.1 4,-1.2 -3,-0.1 3,-0.3 -0.863 30.6 8.8-139.1 171.1 36.2 56.4 26.7 689 214 C A T 4 S- 0 0 60 -2,-0.3 3,-0.3 1,-0.2 4,-0.3 0.080 100.0 -61.2 52.7-166.6 32.5 56.0 27.4 690 215 C A T > S+ 0 0 77 1,-0.2 4,-1.1 2,-0.1 3,-0.3 0.453 119.4 88.4 -88.3 -3.6 31.0 53.1 29.4 691 216 C E H > S+ 0 0 83 -3,-0.3 4,-2.3 1,-0.2 5,-0.4 0.909 74.8 64.1 -60.4 -47.0 32.3 50.8 26.7 692 217 C R H X S+ 0 0 110 -4,-1.2 4,-2.1 -3,-0.3 -1,-0.2 0.880 100.6 55.8 -44.6 -45.8 35.7 50.3 28.4 693 218 C Q H >> S+ 0 0 98 -3,-0.3 4,-3.5 -4,-0.3 3,-0.7 0.978 110.1 37.6 -54.6 -72.9 33.9 48.7 31.3 694 219 C T H 3X S+ 0 0 81 -4,-1.1 4,-1.9 1,-0.3 -1,-0.2 0.855 120.8 48.1 -51.2 -39.0 32.0 45.8 29.6 695 220 C T H 3X S+ 0 0 12 -4,-2.3 4,-1.9 2,-0.3 -1,-0.3 0.826 112.5 49.3 -69.6 -31.4 34.9 45.2 27.1 696 221 C F H X S+ 0 0 1 -4,-2.8 4,-1.1 2,-0.2 3,-0.5 0.929 114.7 45.1 -65.3 -47.8 37.7 33.4 34.1 705 230 C E H >X S+ 0 0 31 -4,-2.9 4,-2.4 1,-0.2 3,-0.9 0.927 106.7 59.3 -62.8 -45.0 35.8 31.0 31.9 706 231 C S H 3X S+ 0 0 3 -4,-2.8 4,-1.7 1,-0.3 -1,-0.2 0.789 101.0 57.9 -54.9 -28.0 39.0 29.8 30.3 707 232 C V H