==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-OCT-03 1O63 . COMPND 2 MOLECULE: ATP PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR STRUCTURAL GENOMIX . 403 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 19.1 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 . 4 1.0 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 . 28 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.7 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 4 6 0 0 0 0 4 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 3 2 4 0 0 1 0 1 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 1 0 1 0 0 0 1 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 2 A L 0 0 24 0, 0.0 38,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 140.8 -14.8 10.0 3.6 2 3 A K E -a 39 0A 85 36,-0.2 56,-2.6 38,-0.1 57,-1.9 -0.959 360.0-164.8-111.0 122.8 -12.7 12.0 6.1 3 4 A L E -ab 40 59A 0 36,-2.9 38,-3.6 -2,-0.5 2,-0.7 -0.878 14.7-147.5-109.8 139.7 -9.1 12.6 5.2 4 5 A A E -ab 41 60A 0 55,-2.5 57,-1.3 -2,-0.4 38,-0.2 -0.940 24.0-166.2-105.0 109.2 -6.3 13.8 7.5 5 6 A I E -a 42 0A 0 36,-3.0 38,-3.1 -2,-0.7 2,-0.5 -0.849 17.8-125.3-104.8 128.4 -4.0 16.0 5.4 6 7 A P E -a 43 0A 0 0, 0.0 38,-0.2 0, 0.0 8,-0.1 -0.645 21.2-141.5 -76.1 118.9 -0.5 17.0 6.6 7 8 A K + 0 0 22 36,-3.2 2,-0.4 -2,-0.5 3,-0.3 -0.382 66.1 29.1 -73.0 160.1 0.2 20.8 6.5 8 9 A G S >> S+ 0 0 43 1,-0.2 3,-1.2 2,-0.1 4,-0.5 -0.748 118.1 8.2 100.0-141.0 3.6 22.0 5.4 9 10 A R T 34 S+ 0 0 125 -2,-0.4 4,-0.3 1,-0.3 -1,-0.2 0.748 133.8 38.7 -52.8 -39.7 6.0 20.2 3.1 10 11 A L T 3> S+ 0 0 16 -3,-0.3 4,-2.2 1,-0.1 5,-0.3 0.470 89.6 95.1 -95.0 -5.0 3.7 17.5 1.8 11 12 A E H <> S+ 0 0 55 -3,-1.2 4,-2.5 1,-0.2 5,-0.2 0.883 85.5 43.8 -58.3 -45.0 0.5 19.5 1.6 12 13 A E H X S+ 0 0 105 -4,-0.5 4,-2.6 2,-0.2 5,-0.2 0.907 111.9 52.0 -74.2 -37.0 0.7 20.5 -2.1 13 14 A K H > S+ 0 0 52 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.968 115.8 42.2 -59.6 -49.0 1.6 17.0 -3.3 14 15 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.941 114.8 48.0 -65.2 -48.1 -1.3 15.5 -1.4 15 16 A X H X S+ 0 0 26 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.912 111.0 53.3 -62.5 -35.1 -3.8 18.1 -2.3 16 17 A T H X S+ 0 0 49 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.929 106.1 53.2 -65.4 -36.8 -2.7 17.8 -6.0 17 18 A Y H X S+ 0 0 1 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.943 111.2 45.0 -59.7 -50.3 -3.3 14.1 -5.8 18 19 A L H X>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 4,-0.8 0.860 109.2 56.9 -60.8 -41.4 -6.9 14.6 -4.6 19 20 A K H ><5S+ 0 0 161 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.973 109.1 46.4 -55.3 -43.4 -7.4 17.3 -7.2 20 21 A K H 3<5S+ 0 0 109 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.664 103.7 61.3 -76.9 -15.3 -6.5 14.8 -9.9 21 22 A T H 3<5S- 0 0 12 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.680 126.7 -96.2 -80.6 -11.9 -8.7 12.1 -8.5 22 23 A G T <<5S+ 0 0 56 -3,-1.3 -3,-0.2 -4,-0.8 2,-0.2 0.300 70.7 152.3 114.6 1.0 -11.7 14.4 -9.0 23 24 A V < - 0 0 23 -5,-2.1 2,-0.4 12,-0.1 -1,-0.3 -0.378 19.8-174.4 -68.6 130.6 -12.2 16.0 -5.6 24 25 A I - 0 0 139 12,-0.2 12,-0.7 -2,-0.2 2,-0.5 -0.989 14.5-142.9-124.0 127.1 -13.8 19.4 -5.8 25 26 A F E -C 35 0A 41 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.795 16.8-177.0 -94.4 133.5 -14.1 21.6 -2.6 26 27 A E E S+ 0 0 173 8,-2.0 2,-0.4 -2,-0.5 9,-0.2 0.772 78.2 25.0 -90.3 -30.7 -17.2 23.8 -2.2 27 28 A R E -C 34 0A 173 7,-1.6 7,-3.0 2,-0.0 2,-0.4 -0.996 69.5-176.1-139.5 136.8 -16.0 25.3 1.1 28 29 A E E +C 33 0A 116 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.988 9.1 165.8-142.3 135.0 -12.5 25.8 2.5 29 30 A S - 0 0 53 3,-2.4 -2,-0.0 -2,-0.4 13,-0.0 -0.706 54.1 -92.9-129.9 177.6 -10.8 27.1 5.6 30 31 A S S S+ 0 0 91 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.896 126.3 25.8 -59.2 -40.3 -7.3 26.9 7.0 31 32 A I S S+ 0 0 7 1,-0.2 11,-2.4 10,-0.1 2,-0.4 0.554 123.7 43.5-102.7 -12.3 -8.2 23.8 8.9 32 33 A L E - D 0 41A 28 9,-0.2 -3,-2.4 2,-0.0 2,-0.5 -0.962 50.3-174.9-144.9 123.7 -11.1 22.2 7.0 33 34 A R E -CD 28 40A 38 7,-2.3 7,-3.6 -2,-0.4 2,-0.4 -0.985 17.2-163.8-117.4 120.7 -11.8 21.7 3.3 34 35 A E E +CD 27 39A 62 -7,-3.0 -8,-2.0 -2,-0.5 -7,-1.6 -0.869 16.6 155.6-112.9 139.3 -15.2 20.3 2.4 35 36 A G E > -CD 25 38A 16 3,-3.2 3,-1.9 -2,-0.4 2,-0.3 -0.898 54.4 -61.2-148.1 171.7 -16.4 18.7 -0.8 36 37 A K T 3 S- 0 0 178 -12,-0.7 -12,-0.2 1,-0.3 3,-0.0 -0.435 123.6 -8.9 -57.6 120.7 -19.1 16.3 -2.1 37 38 A D T 3 S+ 0 0 124 -2,-0.3 2,-0.3 1,-0.1 -1,-0.3 0.609 126.5 82.7 66.4 12.5 -18.4 13.0 -0.3 38 39 A I E < - D 0 35A 11 -3,-1.9 -3,-3.2 -14,-0.1 2,-0.4 -0.952 47.6-177.5-153.6 130.9 -15.1 14.3 1.2 39 40 A V E -aD 2 34A 40 -38,-2.3 -36,-2.9 -2,-0.3 2,-0.5 -0.995 16.0-154.9-123.4 129.4 -14.0 16.4 4.2 40 41 A C E -aD 3 33A 0 -7,-3.6 -7,-2.3 -2,-0.4 2,-0.6 -0.944 3.2-155.3-107.9 124.3 -10.3 17.2 4.6 41 42 A F E -aD 4 32A 6 -38,-3.6 -36,-3.0 -2,-0.5 2,-0.7 -0.866 14.1-148.2 -90.5 121.8 -8.9 17.9 8.1 42 43 A X E +a 5 0A 0 -11,-2.4 2,-0.3 -2,-0.6 296,-0.1 -0.851 35.5 157.8 -95.6 106.6 -5.8 20.1 7.6 43 44 A V E -a 6 0A 3 -38,-3.1 -36,-3.2 -2,-0.7 292,-0.1 -0.862 48.1 -81.4-131.8 165.1 -3.5 19.1 10.5 44 45 A R >> - 0 0 93 290,-0.3 3,-1.9 -2,-0.3 4,-0.5 -0.444 49.3-113.6 -66.1 142.1 0.2 19.1 11.5 45 46 A P G >4 S+ 0 0 31 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.857 115.3 52.9 -47.1 -44.3 2.0 16.1 10.1 46 47 A F G 34 S+ 0 0 43 1,-0.3 4,-0.5 2,-0.1 -2,-0.0 0.752 104.5 58.5 -70.0 -14.7 2.6 14.5 13.5 47 48 A D G <> S+ 0 0 4 -3,-1.9 4,-2.2 1,-0.2 -1,-0.3 0.548 81.2 86.6 -90.1 -7.6 -1.1 14.7 14.2 48 49 A V H S+ 0 0 0 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.868 109.9 57.6 -67.3 -31.0 -1.9 9.4 12.9 50 51 A T H > S+ 0 0 13 -4,-0.5 4,-2.0 1,-0.2 6,-0.2 0.920 105.8 48.9 -62.2 -45.1 -3.6 10.8 16.0 51 52 A Y H <>S+ 0 0 2 -4,-2.2 5,-1.9 1,-0.2 6,-1.2 0.875 117.1 42.7 -61.8 -38.7 -6.7 11.7 14.0 52 53 A L H ><5S+ 0 0 0 -4,-1.8 3,-1.8 -5,-0.2 -2,-0.2 0.936 111.4 51.8 -72.9 -47.9 -6.8 8.2 12.5 53 54 A V H 3<5S+ 0 0 80 -4,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.895 109.9 50.6 -58.8 -39.1 -6.0 6.2 15.6 54 55 A H T 3<5S- 0 0 76 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.543 115.5-119.8 -74.3 -8.9 -8.8 8.0 17.5 55 56 A G T < 5S+ 0 0 42 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.621 80.9 116.4 82.5 17.4 -11.2 7.2 14.6 56 57 A V S - E 0 170A 1 -2,-0.3 4,-2.0 107,-0.2 3,-0.2 -0.342 38.5-103.6 -79.8 173.0 6.1 11.4 5.8 64 65 A T H > S+ 0 0 12 105,-1.4 4,-2.6 1,-0.2 5,-0.3 0.854 118.9 62.3 -63.3 -32.9 8.4 8.6 6.8 65 66 A D H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.945 106.1 44.4 -57.6 -50.8 9.7 10.7 9.7 66 67 A V H > S+ 0 0 0 -3,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.941 114.3 50.3 -57.8 -51.4 6.3 10.8 11.3 67 68 A L H < S+ 0 0 16 -4,-2.0 5,-0.2 1,-0.2 -1,-0.2 0.863 116.8 38.4 -57.4 -43.6 5.7 7.1 10.7 68 69 A L H < S+ 0 0 53 -4,-2.6 -1,-0.2 -5,-0.2 3,-0.2 0.729 114.4 53.9 -82.4 -26.5 9.0 6.0 12.2 69 70 A E H < S+ 0 0 15 -4,-2.1 2,-0.4 -5,-0.3 -2,-0.2 0.805 119.7 31.1 -75.2 -28.3 9.1 8.5 15.0 70 71 A K S < S- 0 0 62 -4,-1.8 -1,-0.3 -5,-0.2 2,-0.2 -0.931 84.2-142.3-133.2 102.2 5.7 7.4 16.3 71 72 A E + 0 0 142 -2,-0.4 2,-0.3 -3,-0.2 -3,-0.1 -0.463 26.3 172.4 -73.5 134.3 4.7 3.8 15.8 72 73 A T - 0 0 40 -5,-0.2 -2,-0.0 -2,-0.2 -1,-0.0 -0.872 41.6-125.5-128.4 173.9 1.0 3.1 14.9 73 74 A S + 0 0 97 -2,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.390 63.7 136.1 -99.9 4.0 -1.1 0.1 13.9 74 75 A L - 0 0 20 1,-0.1 2,-0.4 99,-0.0 101,-0.2 -0.082 54.9-116.5 -57.3 148.7 -2.4 1.9 10.8 75 76 A I B -F 174 0A 62 99,-1.7 99,-2.2 2,-0.0 -1,-0.1 -0.657 14.2-154.2 -88.7 135.4 -2.6 0.2 7.4 76 77 A Q - 0 0 97 -2,-0.4 97,-0.2 97,-0.2 3,-0.1 -0.922 8.1-171.6-109.0 104.9 -0.6 1.4 4.4 77 78 A P - 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.824 63.4 -10.4 -69.0 -35.0 -2.5 0.3 1.3 78 79 A F S S- 0 0 17 94,-0.3 94,-0.7 2,-0.0 2,-0.4 -0.971 72.2 -88.9-156.7 176.1 0.2 1.2 -1.2 79 80 A F E -G 171 0A 125 -2,-0.3 92,-0.1 92,-0.1 91,-0.0 -0.730 20.9-153.5 -97.8 130.9 3.5 2.9 -1.9 80 81 A I E - 0 0 3 90,-0.5 90,-0.3 -2,-0.4 118,-0.1 -0.859 15.7-155.5-106.4 105.9 4.0 6.6 -2.9 81 82 A P E + 0 0 30 0, 0.0 -1,-0.1 0, 0.0 117,-0.1 0.764 50.8 107.0 -47.5 -58.1 7.2 6.8 -4.8 82 83 A T E - 0 0 32 1,-0.1 2,-0.6 2,-0.0 88,-0.5 -0.090 60.9-138.4 -41.2 121.9 8.6 10.4 -4.7 83 84 A N E +G 169 0A 100 1,-0.2 86,-0.2 86,-0.1 -1,-0.1 -0.691 26.3 175.2 -77.9 119.3 11.7 10.8 -2.5 84 85 A I E - 0 0 18 84,-2.9 2,-0.3 -2,-0.6 85,-0.2 0.832 55.8 -32.9 -89.6 -50.5 11.1 14.1 -0.6 85 86 A S E -G 168 0A 13 83,-1.6 83,-3.2 65,-0.0 2,-0.4 -0.890 57.6-107.0-155.0-171.8 14.1 14.3 1.7 86 87 A R E -GH 167 148A 64 62,-2.4 62,-1.9 -2,-0.3 2,-0.5 -1.000 13.1-136.3-133.9 145.3 16.5 12.3 3.9 87 88 A X E +GH 166 147A 0 79,-3.2 78,-3.1 -2,-0.4 79,-1.4 -0.813 41.4 176.2 -96.1 122.2 17.0 11.7 7.6 88 89 A V E -GH 164 146A 2 58,-2.9 58,-2.1 -2,-0.5 2,-0.5 -0.901 38.0-126.9-129.2 161.6 20.7 11.9 8.3 89 90 A L E +GH 163 145A 2 74,-2.6 73,-2.1 -2,-0.3 74,-1.5 -0.896 42.7 174.7 -97.3 127.1 23.3 11.8 11.0 90 91 A A E +GH 161 144A 0 54,-2.5 54,-2.8 -2,-0.5 71,-0.2 -0.978 11.5 162.4-136.0 159.8 25.4 15.0 10.8 91 92 A G E -G 160 0A 0 69,-2.0 69,-3.4 -2,-0.3 52,-0.1 -0.968 52.5 -48.0-163.6 172.4 28.2 16.7 12.7 92 93 A P E >> S-G 159 0A 17 0, 0.0 3,-1.4 0, 0.0 4,-0.8 -0.221 72.1-101.6 -49.8 128.7 31.0 19.4 12.4 93 94 A K T 34 S+ 0 0 153 65,-2.6 66,-0.0 1,-0.2 -3,-0.0 -0.422 104.6 11.9 -61.7 129.9 32.9 18.6 9.2 94 95 A G T 34 S+ 0 0 70 -2,-0.1 -1,-0.2 -3,-0.1 65,-0.1 -0.032 105.2 92.0 95.1 -25.8 36.2 16.9 10.0 95 96 A R T <4 - 0 0 163 -3,-1.4 2,-0.2 1,-0.2 -2,-0.1 0.968 63.8-171.6 -71.1 -50.5 35.4 16.1 13.6 96 97 A G < - 0 0 33 -4,-0.8 -1,-0.2 46,-0.1 66,-0.1 -0.666 40.4 -36.7 98.2-150.4 33.8 12.6 13.3 97 98 A I - 0 0 64 -2,-0.2 5,-0.1 -6,-0.1 -6,-0.0 -0.933 59.0-118.0-118.2 126.3 32.1 10.8 16.2 98 99 A P - 0 0 44 0, 0.0 -2,-0.0 0, 0.0 44,-0.0 -0.281 19.3-131.0 -57.9 150.9 33.4 10.9 19.8 99 100 A E S S+ 0 0 198 2,-0.0 3,-0.1 3,-0.0 -2,-0.0 0.806 87.5 45.0 -77.4 -29.8 34.5 7.6 21.2 100 101 A G S S- 0 0 50 1,-0.3 22,-0.3 21,-0.1 2,-0.1 0.315 116.8 -16.2 -89.1-139.5 32.5 7.8 24.4 101 102 A E - 0 0 111 20,-0.1 2,-0.6 22,-0.1 -1,-0.3 -0.357 68.5-137.3 -69.3 130.9 28.9 8.9 25.1 102 103 A K E -i 123 0A 15 20,-2.5 22,-3.1 -3,-0.1 2,-0.6 -0.877 4.6-148.7 -99.7 122.9 27.5 10.7 22.0 103 104 A R E -i 124 0A 74 -2,-0.6 40,-2.2 20,-0.2 39,-1.9 -0.798 23.5-178.7 -87.7 115.6 25.4 13.9 22.6 104 105 A I E -ij 125 143A 0 20,-2.2 22,-2.9 -2,-0.6 2,-0.3 -0.979 14.8-157.3-122.8 121.4 22.9 14.0 19.8 105 106 A A E +ij 126 144A 0 38,-2.1 40,-1.6 -2,-0.5 2,-0.3 -0.687 31.0 144.7 -89.5 143.8 20.3 16.9 19.3 106 107 A T E -ij 127 145A 0 20,-2.2 22,-2.3 -2,-0.3 40,-0.1 -0.970 57.3-133.9-170.1 159.4 17.2 16.0 17.3 107 108 A K S S+ 0 0 89 38,-0.5 39,-0.1 -2,-0.3 -1,-0.1 0.396 103.5 63.8 -90.4 -11.1 13.5 16.5 16.8 108 109 A F > + 0 0 6 37,-0.4 4,-2.6 1,-0.2 5,-0.2 -0.654 57.9 165.5-117.4 76.6 13.2 12.8 16.4 109 110 A P H > S+ 0 0 42 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.864 77.5 46.9 -63.2 -34.2 14.2 11.1 19.7 110 111 A N H > S+ 0 0 88 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.921 113.3 48.4 -73.8 -45.9 12.8 7.6 18.9 111 112 A V H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 115.1 46.6 -52.4 -48.2 14.4 7.5 15.4 112 113 A T H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.946 111.4 50.6 -64.6 -43.1 17.7 8.7 17.0 113 114 A Q H X S+ 0 0 81 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.932 110.4 50.1 -61.1 -41.6 17.5 6.1 19.8 114 115 A R H X S+ 0 0 110 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.867 110.1 51.2 -62.2 -39.2 16.8 3.4 17.2 115 116 A Y H X S+ 0 0 15 -4,-2.0 4,-0.9 -5,-0.2 3,-0.3 0.991 108.5 50.3 -62.4 -51.0 19.8 4.5 15.3 116 117 A a H >X>S+ 0 0 2 -4,-2.9 5,-2.0 1,-0.2 3,-1.8 0.916 110.0 50.8 -54.1 -45.0 22.1 4.5 18.3 117 118 A E H ><5S+ 0 0 118 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.893 104.7 56.5 -61.3 -38.4 20.9 0.9 19.2 118 119 A S H 3<5S+ 0 0 84 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.681 115.4 40.0 -67.0 -15.0 21.7 -0.2 15.6 119 120 A K H <<5S- 0 0 97 -3,-1.8 -1,-0.3 -4,-0.9 -2,-0.2 0.433 106.7-123.2-106.8 -13.8 25.2 1.1 16.3 120 121 A G T <<5 + 0 0 61 -3,-0.9 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-94.3 117.2 -8.9 31.4 32.2 369 166 B I E - 0 0 35 -78,-2.3 2,-0.3 -2,-0.6 -77,-0.2 0.936 58.7 -30.4 -89.1 -49.7 -6.0 29.3 33.4 370 167 B F E -Q 291 0C 32 -79,-1.6 -79,-3.3 2,-0.0 -1,-0.3 -0.980 54.0-110.9-167.8 153.8 -3.1 31.8 33.3 371 168 B V E -Q 290 0C 51 -2,-0.3 2,-0.5 -81,-0.2 -81,-0.3 -0.640 34.8-132.3 -84.9 144.8 -1.8 34.9 31.6 372 169 B I E +Q 289 0C 3 -83,-3.2 -84,-1.6 -2,-0.2 -83,-1.2 -0.899 32.5 161.8-107.5 126.6 1.3 34.5 29.5 373 170 B R - 0 0 64 -2,-0.5 -105,-1.6 -86,-0.2 2,-0.7 -0.913 45.3 -97.7-134.8 162.5 4.3 36.8 29.8 374 171 B T E -O 267 0B 3 -90,-0.4 -90,-3.3 -88,-0.4 2,-0.3 -0.748 42.8-159.5 -83.3 111.2 8.0 36.7 28.7 375 172 B H E -OP 266 283B 25 -109,-2.6 -109,-2.1 -2,-0.7 2,-0.5 -0.710 15.5-132.7 -88.2 150.9 10.1 35.6 31.7 376 173 B V E -OP 265 282B 0 -94,-2.4 -94,-0.7 -2,-0.3 2,-0.3 -0.875 32.4-171.3 -96.5 126.2 13.8 36.2 32.2 377 174 B V E -O 264 0B 0 -113,-2.5 -113,-2.6 -2,-0.5 2,-0.4 -0.929 9.6-154.3-124.7 146.7 15.3 32.9 33.4 378 175 B V E -OP 263 279B 0 -99,-2.6 -99,-2.4 -2,-0.3 -115,-0.2 -0.972 23.3-116.8-124.7 138.7 18.8 32.1 34.6 379 176 B N > - 0 0 6 -117,-3.2 4,-2.0 -2,-0.4 5,-0.2 -0.623 25.2-139.2 -67.0 123.9 20.8 28.8 34.6 380 177 B P H > S+ 0 0 41 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.836 101.1 54.4 -58.2 -34.3 21.4 28.0 38.3 381 178 B V H >> S+ 0 0 72 1,-0.2 4,-2.8 2,-0.2 3,-0.9 0.968 109.3 45.9 -64.5 -50.1 25.0 26.9 37.6 382 179 B S H 3> S+ 0 0 4 1,-0.3 4,-2.4 2,-0.2 8,-0.2 0.828 106.6 60.9 -61.3 -34.1 25.9 30.2 35.9 383 180 B Y H 3< S+ 0 0 59 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.796 112.6 37.8 -61.4 -32.1 24.2 32.1 38.8 384 181 B R H << S+ 0 0 170 -4,-1.1 3,-0.5 -3,-0.9 -2,-0.2 0.876 125.2 35.6 -83.6 -47.5 26.7 30.5 41.1 385 182 B T H < S+ 0 0 103 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.786 130.7 30.0 -79.5 -29.8 29.9 30.6 39.0 386 183 B K S X S+ 0 0 80 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 -0.012 79.7 143.7-118.7 34.0 29.3 33.9 37.2 387 184 B R H > + 0 0 122 -3,-0.5 4,-2.4 1,-0.2 5,-0.2 0.797 69.8 40.1 -37.3 -62.5 27.3 35.6 39.9 388 185 B E H > S+ 0 0 168 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 115.4 51.2 -67.4 -37.4 28.5 39.1 39.6 389 186 B E H > S+ 0 0 79 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.902 113.2 45.3 -65.1 -42.8 28.5 39.2 35.8 390 187 B V H X S+ 0 0 0 -4,-2.5 4,-2.8 -8,-0.2 5,-0.2 0.933 112.1 50.1 -65.0 -49.6 24.9 37.9 35.6 391 188 B V H X S+ 0 0 42 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.919 109.6 53.9 -58.0 -39.9 23.6 40.2 38.3 392 189 B S H X S+ 0 0 47 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.892 111.1 42.7 -62.4 -44.2 25.2 43.1 36.4 393 190 B F H X S+ 0 0 18 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.903 114.4 53.8 -65.2 -44.1 23.6 42.3 33.1 394 191 B L H X S+ 0 0 14 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.875 105.8 51.4 -59.9 -38.1 20.3 41.7 34.9 395 192 B E H X S+ 0 0 107 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.968 111.6 47.2 -65.3 -46.9 20.3 45.0 36.6 396 193 B K H X S+ 0 0 100 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.921 113.4 49.0 -59.6 -44.9 20.9 46.8 33.3 397 194 B L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.906 108.5 52.4 -59.5 -48.1 18.1 44.8 31.7 398 195 B Q H X S+ 0 0 99 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.900 107.5 53.6 -59.1 -36.4 15.6 45.5 34.5 399 196 B E H X S+ 0 0 126 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.903 109.6 47.0 -62.2 -43.5 16.3 49.2 34.2 400 197 B V H X S+ 0 0 21 -4,-1.7 4,-3.1 -5,-0.2 -2,-0.2 0.932 112.6 50.4 -65.1 -41.4 15.5 49.1 30.4 401 198 B I H < S+ 0 0 16 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.934 113.1 45.2 -61.9 -46.7 12.3 47.1 31.1 402 199 B E H < S+ 0 0 173 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.981 116.0 45.7 -60.9 -56.4 11.1 49.5 33.8 403 200 B H H < 0 0 170 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.943 360.0 360.0 -51.5 -53.6 11.9 52.6 31.7 404 201 B D < 0 0 110 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.920 360.0 360.0 -51.2 360.0 10.3 51.1 28.6