==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-MAY-10 3N3Y . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE THYX; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR K.WANG,Q.WANG,J.CHEN,L.CHEN,H.JIANG,X.SHEN . 834 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 633 75.9 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 . 108 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 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 . 43 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 11 0 0 7 1 0 1 9 2 4 0 0 0 0 0 4 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 . 6 0 0 4 0 4 0 0 4 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 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 A F 0 0 202 0, 0.0 2,-0.3 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0 -18.0 2.8 5.9 33.2 2 1 A M - 0 0 23 1,-0.0 2,-0.6 60,-0.0 62,-0.2 -0.669 360.0-120.7 -82.9 144.0 1.3 3.0 35.2 3 2 A E E -A 63 0A 117 60,-1.7 60,-2.6 -2,-0.3 2,-0.5 -0.776 29.1-175.9 -94.2 119.3 -2.4 3.4 36.1 4 3 A V E -A 62 0A 20 -2,-0.6 2,-0.4 58,-0.2 58,-0.2 -0.959 1.1-176.6-116.6 122.3 -3.4 3.5 39.8 5 4 A I E -A 61 0A 91 56,-2.2 56,-2.5 -2,-0.5 2,-0.8 -0.947 21.3-144.5-112.5 132.3 -7.1 3.7 40.9 6 5 A C E +A 60 0A 27 -2,-0.4 54,-0.3 188,-0.4 3,-0.1 -0.873 22.5 178.5 -89.9 110.4 -8.2 3.9 44.5 7 6 A K E + 0 0 50 52,-2.8 2,-0.3 -2,-0.8 53,-0.2 0.721 62.2 4.2 -89.9 -25.6 -11.4 1.8 44.4 8 7 A H E +A 59 0A 41 51,-1.3 51,-2.8 631,-0.0 2,-0.3 -0.967 61.8 179.4-158.7 145.6 -12.4 2.1 48.1 9 8 A Y E -A 58 0A 100 -2,-0.3 49,-0.2 49,-0.2 47,-0.0 -0.950 33.1-102.0-143.5 165.6 -11.2 3.9 51.2 10 9 A T - 0 0 3 47,-0.9 5,-0.1 -2,-0.3 627,-0.0 -0.762 42.4-110.1 -91.9 125.2 -12.2 4.2 54.8 11 10 A P > - 0 0 38 0, 0.0 3,-1.3 0, 0.0 4,-0.5 -0.258 27.2-123.4 -49.6 137.8 -14.0 7.4 55.8 12 11 A L T >> S+ 0 0 6 1,-0.2 4,-1.7 2,-0.2 3,-1.0 0.766 105.1 71.3 -55.2 -33.3 -11.7 9.6 58.0 13 12 A D H 3> S+ 0 0 63 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.829 86.4 66.7 -60.1 -29.8 -14.1 9.7 60.9 14 13 A I H <> S+ 0 0 5 -3,-1.3 4,-1.5 1,-0.2 -1,-0.3 0.929 104.3 45.6 -52.2 -43.8 -13.3 6.0 61.5 15 14 A A H <> S+ 0 0 0 -3,-1.0 4,-2.0 -4,-0.5 -2,-0.2 0.951 113.3 46.4 -66.4 -50.8 -9.8 7.2 62.5 16 15 A S H X S+ 0 0 6 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.883 110.8 52.1 -65.2 -38.0 -10.9 10.2 64.7 17 16 A Q H X S+ 0 0 71 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.899 110.2 51.5 -59.4 -38.8 -13.5 8.1 66.6 18 17 A A H X S+ 0 0 0 -4,-1.5 4,-0.8 -5,-0.3 -2,-0.2 0.888 109.5 48.7 -64.8 -40.5 -10.7 5.6 67.2 19 18 A I H >X S+ 0 0 1 -4,-2.0 4,-0.8 1,-0.2 3,-0.7 0.905 111.0 49.2 -67.7 -40.4 -8.3 8.2 68.5 20 19 A R H 3X>S+ 0 0 22 -4,-2.2 5,-1.4 1,-0.2 4,-1.1 0.774 99.5 68.2 -72.3 -25.7 -10.9 9.7 70.9 21 20 A T H 3<5S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.846 93.3 59.8 -58.9 -35.1 -11.7 6.2 72.2 22 21 A C H <<5S+ 0 0 18 -4,-0.8 692,-2.7 -3,-0.7 -1,-0.2 0.916 122.5 19.7 -64.9 -46.3 -8.3 6.0 73.8 23 22 A W H <5S- 0 0 80 -4,-0.8 -1,-0.2 690,-0.2 -2,-0.2 0.278 102.6-124.6-106.9 7.0 -8.7 9.0 76.1 24 23 A Q T <5 + 0 0 57 -4,-1.1 3,-0.3 1,-0.1 -3,-0.2 0.880 58.1 149.4 54.0 46.4 -12.5 9.1 75.9 25 24 A S > < + 0 0 17 -5,-1.4 3,-1.9 1,-0.2 4,-0.2 -0.123 13.4 131.7-105.0 33.5 -12.5 12.7 74.7 26 25 A F G > + 0 0 80 1,-0.3 3,-1.6 -6,-0.3 -1,-0.2 0.757 64.0 72.4 -57.5 -24.5 -15.7 12.6 72.5 27 26 A E G 3 S+ 0 0 145 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.828 95.9 50.5 -58.3 -33.5 -16.8 15.8 74.3 28 27 A Y G < S+ 0 0 151 -3,-1.9 -1,-0.3 -8,-0.1 -2,-0.2 0.448 88.9 115.7 -85.3 -0.7 -14.1 17.6 72.3 29 28 A S < - 0 0 50 -3,-1.6 -3,-0.0 -4,-0.2 -12,-0.0 -0.373 52.7-158.1 -73.6 145.3 -15.3 16.1 69.0 30 29 A D - 0 0 52 3,-0.1 3,-0.4 -2,-0.1 -1,-0.1 0.019 50.6 -97.8-115.2 29.3 -16.8 18.3 66.2 31 30 A D S S- 0 0 162 1,-0.2 -18,-0.1 2,-0.1 -2,-0.0 0.826 89.3 -40.6 70.8 33.3 -18.8 15.7 64.3 32 31 A G S S+ 0 0 43 1,-0.1 -1,-0.2 -19,-0.1 -20,-0.1 0.580 105.8 138.9 88.8 12.3 -16.1 15.1 61.7 33 32 A G S >> S- 0 0 26 -3,-0.4 4,-2.0 3,-0.1 3,-0.7 0.078 73.2 -73.2 -75.8-168.1 -15.2 18.8 61.3 34 33 A C H 3> S+ 0 0 89 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.801 130.0 56.6 -63.8 -31.6 -11.7 20.4 60.9 35 34 A K H 3> S+ 0 0 130 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.830 107.6 49.3 -68.6 -32.5 -10.8 19.8 64.5 36 35 A D H <> S+ 0 0 5 -3,-0.7 4,-1.5 2,-0.2 -2,-0.2 0.917 112.5 47.1 -69.7 -43.2 -11.4 16.1 64.0 37 36 A K H X S+ 0 0 80 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.899 110.3 53.6 -61.6 -41.6 -9.3 16.0 60.8 38 37 A E H X S+ 0 0 90 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.881 104.6 56.1 -60.6 -38.3 -6.6 18.0 62.7 39 38 A L H X>S+ 0 0 11 -4,-1.4 4,-2.3 1,-0.2 5,-0.6 0.878 101.9 54.1 -63.6 -41.5 -6.6 15.3 65.4 40 39 A I H X5S+ 0 0 2 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.919 112.2 46.0 -59.4 -42.4 -5.9 12.4 63.0 41 40 A H H X5S+ 0 0 42 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.916 115.1 43.5 -68.9 -45.7 -2.9 14.2 61.7 42 41 A R H <5S+ 0 0 129 -4,-2.2 3,-0.2 2,-0.2 -2,-0.2 0.931 123.7 33.5 -71.2 -46.7 -1.3 15.3 65.0 43 42 A V H ><5S+ 0 0 10 -4,-2.3 3,-2.1 1,-0.2 6,-0.3 0.902 111.1 62.9 -74.7 -44.2 -1.8 12.1 66.9 44 43 A G H 3< S+ 0 0 107 -2,-0.6 3,-2.0 1,-0.3 4,-0.3 0.911 99.4 55.0 -56.2 -48.3 5.2 7.4 66.9 48 47 A R G 3 S+ 0 0 97 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.725 116.9 39.8 -58.1 -19.5 3.8 5.7 70.0 49 48 A H G X S+ 0 0 44 -3,-1.5 3,-1.7 -6,-0.3 -1,-0.3 0.266 79.1 105.9-115.6 11.7 0.3 6.4 68.6 50 49 A S G X + 0 0 9 -3,-2.0 3,-1.6 -4,-0.4 4,-0.3 0.674 63.7 79.3 -67.9 -16.5 0.7 5.7 64.9 51 50 A S G > S+ 0 0 25 -4,-0.3 3,-0.7 1,-0.3 -1,-0.3 0.666 77.9 72.2 -64.6 -16.5 -1.2 2.5 65.3 52 51 A T G X S+ 0 0 6 -3,-1.7 3,-1.1 1,-0.2 -1,-0.3 0.791 88.6 62.3 -64.8 -27.3 -4.4 4.6 65.2 53 52 A L G X S+ 0 0 1 -3,-1.6 3,-2.0 1,-0.2 112,-0.8 0.708 82.4 80.1 -70.4 -20.4 -3.8 5.1 61.5 54 53 A E G < S+ 0 0 11 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.1 0.650 77.0 72.1 -63.7 -14.9 -4.2 1.4 60.9 55 54 A H G < S+ 0 0 1 -3,-1.1 2,-0.6 -4,-0.2 -1,-0.3 0.713 81.8 82.7 -74.9 -19.6 -7.9 1.8 61.0 56 55 A L < - 0 0 0 -3,-2.0 109,-2.6 -4,-0.1 2,-0.4 -0.794 65.5-175.0 -86.2 121.3 -7.8 3.6 57.6 57 56 A Y E - B 0 164A 11 -2,-0.6 -47,-0.9 107,-0.3 2,-0.5 -0.937 10.0-159.1-121.7 139.2 -7.6 1.0 54.7 58 57 A Y E -AB 9 163A 0 105,-2.9 105,-2.1 -2,-0.4 2,-0.7 -0.968 5.7-158.0-125.1 126.6 -7.2 1.6 51.0 59 58 A N E +AB 8 162A 1 -51,-2.8 -52,-2.8 -2,-0.5 -51,-1.3 -0.894 24.6 179.6 -99.5 111.8 -8.1 -0.7 48.1 60 59 A F E -AB 6 161A 1 101,-3.1 101,-1.7 -2,-0.7 2,-0.4 -0.653 24.7-146.2-107.2 162.4 -6.1 0.1 45.0 61 60 A E E -AB 5 160A 44 -56,-2.5 -56,-2.2 -2,-0.2 2,-0.5 -0.998 16.6-166.9-122.6 132.8 -5.9 -1.2 41.4 62 61 A I E -AB 4 159A 0 97,-2.9 97,-2.5 -2,-0.4 2,-0.4 -0.981 6.1-178.1-124.3 122.0 -2.5 -1.1 39.7 63 62 A K E +AB 3 158A 91 -60,-2.6 -60,-1.7 -2,-0.5 95,-0.2 -0.953 61.8 18.3-120.0 137.3 -2.0 -1.6 36.0 64 63 A G E S+ 0 0 19 93,-1.3 2,-0.3 -2,-0.4 94,-0.2 0.740 73.9 147.7 83.6 24.5 1.2 -1.7 34.0 65 64 A L E - B 0 157A 0 92,-1.2 92,-3.1 -3,-0.2 -1,-0.3 -0.707 48.8-116.0 -86.9 142.1 3.7 -2.2 36.7 66 65 A S E > - B 0 156A 0 -2,-0.3 4,-1.9 90,-0.2 90,-0.2 -0.400 15.5-120.8 -74.5 157.3 6.8 -4.2 35.7 67 66 A R H > S+ 0 0 14 88,-1.6 4,-1.9 86,-0.9 87,-0.2 0.845 115.5 60.3 -61.8 -36.0 7.5 -7.6 37.2 68 67 A G H > S+ 0 0 3 85,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.902 107.4 43.3 -58.1 -42.8 10.8 -6.1 38.3 69 68 A A H > S+ 0 0 0 84,-0.3 4,-2.6 1,-0.2 3,-0.2 0.819 107.2 60.6 -73.9 -31.8 9.0 -3.5 40.4 70 69 A L H X S+ 0 0 6 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.879 96.9 61.2 -58.0 -39.0 6.6 -6.2 41.6 71 70 A Q H < S+ 0 0 11 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.898 111.2 38.9 -54.0 -42.3 9.6 -7.9 43.1 72 71 A E H >< S+ 0 0 25 -4,-0.8 3,-1.0 -3,-0.2 4,-0.3 0.881 113.5 52.0 -78.9 -41.0 10.2 -4.8 45.3 73 72 A L H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.932 103.0 61.4 -61.4 -43.7 6.5 -4.0 46.1 74 73 A S T 3< S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.718 90.8 69.8 -50.0 -27.1 6.1 -7.6 47.3 75 74 A R T < S+ 0 0 74 -3,-1.0 2,-1.1 -4,-0.4 -1,-0.3 0.626 74.5 89.4 -74.5 -14.3 8.8 -7.0 50.0 76 75 A H < - 0 0 17 -3,-2.0 -1,-0.1 -4,-0.3 3,-0.1 -0.754 62.4-174.8 -81.3 102.2 6.4 -4.7 51.9 77 76 A R + 0 0 67 -2,-1.1 2,-1.9 1,-0.2 -1,-0.2 0.733 63.1 76.9 -79.4 -25.5 4.8 -7.4 54.0 78 77 A I S S+ 0 0 110 -3,-0.1 86,-0.4 89,-0.1 2,-0.3 -0.495 88.0 69.4 -89.7 70.8 2.1 -5.4 55.8 79 78 A A S S- 0 0 8 -2,-1.9 2,-0.4 84,-0.1 84,-0.2 -0.951 76.5-114.3-169.1 167.8 -0.2 -5.3 52.8 80 79 A S E -C 162 0A 5 82,-2.9 82,-3.1 -2,-0.3 2,-0.4 -0.974 30.0-175.7-121.1 132.1 -2.5 -7.5 50.7 81 80 A L E -C 161 0A 6 -2,-0.4 2,-0.4 80,-0.2 80,-0.2 -0.983 18.2-173.3-128.2 138.4 -1.9 -8.3 47.1 82 81 A S E -C 160 0A 3 78,-2.5 78,-2.5 -2,-0.4 2,-0.4 -0.962 26.3-168.9-125.6 116.8 -3.7 -10.2 44.4 83 82 A V E -C 159 0A 16 -2,-0.4 76,-0.2 76,-0.2 -2,-0.0 -0.875 30.2-106.0-118.8 131.5 -1.6 -10.4 41.3 84 83 A K - 0 0 25 74,-2.9 2,-0.6 -2,-0.4 567,-0.2 -0.304 45.0-130.7 -42.8 121.1 -2.2 -11.5 37.7 85 84 A S >> - 0 0 32 566,-2.7 3,-1.1 1,-0.2 4,-0.9 -0.734 16.8-160.2 -93.6 120.5 -0.4 -14.8 37.5 86 85 A S H 3> S+ 0 0 8 -2,-0.6 4,-1.3 1,-0.2 3,-0.3 0.824 92.5 67.2 -63.5 -30.8 2.0 -15.5 34.6 87 86 A R H 34 S+ 0 0 29 1,-0.2 -1,-0.2 2,-0.1 58,-0.2 0.768 115.9 26.0 -59.5 -24.6 1.5 -19.2 35.3 88 87 A Y H <4 S+ 0 0 129 -3,-1.1 -1,-0.2 563,-0.2 -2,-0.2 0.428 125.5 42.7-122.3 2.7 -2.1 -18.9 34.1 89 88 A T H >< S+ 0 0 11 -4,-0.9 3,-1.9 -3,-0.3 -3,-0.2 0.417 75.9 99.9-127.6 -2.5 -2.3 -15.9 31.8 90 89 A L G >< + 0 0 0 -4,-1.3 3,-2.3 1,-0.3 4,-0.2 0.768 67.0 78.7 -62.1 -26.3 0.8 -16.2 29.5 91 90 A R G >> + 0 0 124 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.637 68.7 87.9 -58.4 -13.7 -1.3 -17.7 26.7 92 91 A E G <4 S+ 0 0 51 -3,-1.9 3,-0.4 1,-0.2 -1,-0.3 0.742 85.2 55.9 -51.9 -24.4 -2.4 -14.1 26.0 93 92 A L G X4 S+ 0 0 0 -3,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.666 86.0 78.0 -84.6 -21.0 0.8 -14.0 23.8 94 93 A K T <4 S+ 0 0 58 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.826 94.4 51.9 -54.1 -31.3 -0.3 -17.0 21.7 95 94 A E T 3< S+ 0 0 116 -4,-0.6 -1,-0.2 -3,-0.4 2,-0.2 0.469 92.0 89.8 -93.3 -3.8 -2.7 -14.7 19.8 96 95 A V S < S- 0 0 29 -3,-1.4 2,-0.1 1,-0.1 3,-0.1 -0.635 72.4-110.7-104.6 156.8 -0.4 -11.8 18.8 97 96 A E - 0 0 137 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 -0.394 49.3 -78.2 -78.4 156.3 1.7 -11.1 15.7 98 97 A S - 0 0 40 1,-0.1 -1,-0.2 -2,-0.1 33,-0.0 -0.065 27.0-146.8 -50.2 148.5 5.5 -11.0 15.7 99 98 A F + 0 0 1 28,-0.1 4,-0.2 -3,-0.1 -1,-0.1 0.361 56.5 133.2 -99.0 1.0 7.2 -7.9 17.1 100 99 A L + 0 0 79 2,-0.1 2,-0.1 31,-0.1 -2,-0.1 -0.834 42.4 47.0-101.3 143.8 10.1 -8.3 14.6 101 100 A P S S- 0 0 91 0, 0.0 5,-0.2 0, 0.0 2,-0.1 0.514 91.7-123.5 -79.9 158.0 11.5 -6.5 12.9 102 101 A L + 0 0 66 -2,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.437 54.2 134.6 -60.2 134.2 12.0 -3.7 15.5 103 102 A N > - 0 0 68 -4,-0.2 4,-2.9 -2,-0.1 5,-0.3 -0.924 69.6 -80.2-173.6 168.7 10.5 -0.5 14.2 104 103 A E H > S+ 0 0 179 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.817 125.9 45.6 -50.1 -43.3 8.3 2.3 15.4 105 104 A T H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 116.1 43.9 -67.1 -48.0 5.0 0.4 15.0 106 105 A N H > S+ 0 0 22 -5,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.832 111.6 54.8 -68.5 -31.9 6.2 -2.9 16.6 107 106 A L H X S+ 0 0 51 -4,-2.9 4,-0.8 2,-0.2 -1,-0.2 0.883 110.1 46.7 -67.3 -38.2 7.9 -1.0 19.4 108 107 A E H >< S+ 0 0 130 -4,-1.7 3,-1.0 -5,-0.3 4,-0.3 0.942 110.8 52.3 -67.9 -45.8 4.6 0.7 20.1 109 108 A R H >< S+ 0 0 80 -4,-2.5 3,-1.4 1,-0.2 4,-0.2 0.873 105.4 55.4 -54.3 -41.2 2.8 -2.6 19.9 110 109 A A H >X S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.3 4,-1.4 0.725 89.4 75.7 -68.8 -22.0 5.2 -4.2 22.4 111 110 A R T << S+ 0 0 75 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.630 80.9 71.0 -68.4 -12.2 4.5 -1.5 25.0 112 111 A E T <4 S+ 0 0 136 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.790 114.3 25.0 -67.1 -27.2 1.2 -3.2 25.7 113 112 A F T <4 S+ 0 0 10 -3,-1.9 43,-2.8 -4,-0.2 2,-0.4 0.544 119.8 58.5-113.7 -13.3 3.2 -6.0 27.4 114 113 A L B < -D 155 0B 1 -4,-1.4 2,-0.6 41,-0.2 41,-0.2 -0.925 69.0-130.4-125.8 146.8 6.4 -4.3 28.4 115 114 A V - 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0 0 133 1,-0.2 -1,-0.1 2,-0.0 -2,-0.1 -0.355 46.4 -78.1 -83.5 159.2 32.8 -13.7 27.8 308 97 B S - 0 0 41 1,-0.1 -1,-0.2 -2,-0.1 33,-0.0 -0.129 27.6-145.6 -46.1 147.0 30.1 -13.8 25.2 309 98 B F + 0 0 0 28,-0.1 4,-0.2 -3,-0.1 -1,-0.1 0.270 56.4 136.6-100.0 7.5 27.7 -16.7 25.5 310 99 B L + 0 0 80 2,-0.1 2,-0.2 31,-0.1 -2,-0.1 -0.874 43.2 45.2-103.8 140.6 27.5 -16.9 21.7 311 100 B P S S- 0 0 93 0, 0.0 2,-2.4 0, 0.0 5,-0.3 0.535 87.8-126.1 -78.3 165.7 27.5 -19.2 19.8 312 101 B L + 0 0 64 -2,-0.2 -2,-0.1 4,-0.1 2,-0.1 -0.280 56.7 147.5 -76.0 55.7 25.1 -21.4 21.7 313 102 B N > - 0 0 53 -2,-2.4 4,-1.9 -4,-0.2 5,-0.2 -0.330 65.9 -94.6 -84.6 174.5 27.5 -24.4 21.8 314 103 B E H > S+ 0 0 151 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.802 123.3 52.9 -60.5 -33.5 27.8 -26.9 24.6 315 104 B T H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 110.4 44.8 -69.6 -47.5 30.5 -25.0 26.4 316 105 B N H > S+ 0 0 18 -5,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.766 108.5 59.7 -68.7 -27.2 28.7 -21.7 26.5 317 106 B L H X S+ 0 0 57 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.950 108.1 43.0 -64.3 -50.9 25.5 -23.4 27.6 318 107 B E H >< S+ 0 0 113 -4,-1.6 3,-0.8 1,-0.2 4,-0.5 0.921 112.3 54.3 -62.8 -42.0 27.2 -24.8 30.7 319 108 B R H >< S+ 0 0 69 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.898 105.9 53.5 -55.5 -41.4 28.9 -21.4 31.3 320 109 B A H >X S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.3 4,-1.2 0.732 92.5 73.8 -68.6 -23.0 25.5 -19.7 31.2 321 110 B R T << S+ 0 0 65 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.710 83.1 68.2 -63.7 -21.2 24.1 -22.1 33.9 322 111 B E T <4 S+ 0 0 134 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.719 113.2 29.4 -71.4 -18.5 26.2 -20.2 36.5 323 112 B F T <4 S+ 0 0 14 -3,-1.6 43,-3.0 -4,-0.2 2,-0.4 0.551 120.8 55.8-111.0 -15.9 23.9 -17.2 36.0 324 113 B L B < S-I 365 0E 1 -4,-1.2 2,-0.6 41,-0.3 41,-0.2 -0.938 70.9-129.2-129.6 144.2 20.7 -19.0 35.0 325 114 B V - 0 0 21 39,-3.0 2,-0.4 -2,-0.4 -3,-0.1 -0.796 30.3-148.9 -84.7 122.2 18.3 -21.6 36.2 326 115 B F - 0 0 33 -2,-0.6 2,-0.2 -5,-0.1 4,-0.1 -0.762 12.0-161.3 -92.0 139.5 17.7 -24.2 33.5 327 116 B V - 0 0 29 -2,-0.4 2,-1.5 2,-0.3 6,-0.1 -0.474 39.3 -78.9-109.2-172.0 14.4 -26.0 33.3 328 117 B D S S+ 0 0 153 -2,-0.2 2,-0.2 4,-0.1 -182,-0.0 -0.389 103.8 76.8 -92.7 57.6 13.3 -29.2 31.6 329 118 B N > - 0 0 39 -2,-1.5 4,-1.9 -183,-0.1 -2,-0.3 -0.767 63.6-153.0-163.8 119.9 12.9 -27.8 28.1 330 119 B E H > S+ 0 0 168 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.781 95.6 55.0 -66.4 -31.7 15.9 -27.1 25.8 331 120 B K H > S+ 0 0 91 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.901 107.3 49.3 -70.5 -42.0 14.2 -24.4 23.8 332 121 B V H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.958 110.8 50.2 -60.0 -51.8 13.3 -22.3 26.9 333 122 B N H X S+ 0 0 18 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.863 107.1 55.2 -55.0 -39.2 16.9 -22.6 28.2 334 123 B A H X S+ 0 0 30 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.903 109.0 47.0 -65.6 -40.4 18.2 -21.4 24.8 335 124 B M H X S+ 0 0 28 -4,-1.8 4,-2.4 -3,-0.2 -2,-0.2 0.867 108.6 55.5 -64.8 -39.1 16.0 -18.3 25.0 336 125 B S H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.927 108.3 48.6 -58.4 -44.2 17.2 -17.7 28.6 337 126 B V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.859 109.2 52.2 -66.2 -36.7 20.7 -17.7 27.3 338 127 B L H X S+ 0 0 56 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.880 111.2 47.1 -64.2 -39.4 19.9 -15.3 24.5 339 128 B A H X S+ 0 0 7 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.896 111.1 53.0 -67.2 -39.4 18.3 -12.9 27.1 340 129 B L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.912 108.3 49.2 -61.7 -42.5 21.4 -13.4 29.2 341 130 B E H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.915 109.7 50.9 -67.7 -41.7 23.7 -12.4 26.3 342 131 B N H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.877 110.5 50.5 -57.9 -38.9 21.7 -9.3 25.5 343 132 B L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.935 109.9 49.4 -64.9 -46.0 21.9 -8.3 29.2 344 133 B R H X S+ 0 0 17 -4,-2.5 4,-2.4 1,-0.2 5,-0.5 0.897 110.7 51.6 -58.2 -41.5 25.7 -8.8 29.1 345 134 B V H X>S+ 0 0 27 -4,-2.5 4,-1.7 1,-0.2 5,-1.3 0.932 108.2 50.1 -62.3 -46.8 25.9 -6.7 26.0 346 135 B L H <5S+ 0 0 0 -4,-2.3 6,-2.2 1,-0.2 4,-0.3 0.902 119.0 39.0 -55.2 -41.3 23.9 -3.9 27.6 347 136 B L H <5S+ 0 0 2 -4,-2.0 -2,-0.2 4,-0.2 -1,-0.2 0.774 127.7 28.9 -83.2 -29.1 26.2 -3.9 30.6 348 137 B S H <5S+ 0 0 28 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.835 126.4 34.9-106.7 -43.4 29.5 -4.5 29.0 349 138 B E T <5S+ 0 0 112 -4,-1.7 -3,-0.2 -5,-0.5 -2,-0.1 0.785 134.2 25.6 -84.9 -28.1 29.4 -3.1 25.5 350 139 B H S > - 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0 0 2 -2,-0.1 4,-2.2 1,-0.1 3,-0.6 -0.253 38.6-115.9 -55.2 143.3 5.6 -24.4 40.5 392 181 B K H 3> S+ 0 0 121 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.892 115.0 51.7 -55.2 -45.7 8.1 -27.2 40.1 393 182 B E H 3> S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.854 110.1 50.2 -58.8 -35.7 11.0 -25.0 41.3 394 183 B M H <> S+ 0 0 1 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.870 107.8 51.6 -73.5 -36.6 9.0 -24.2 44.5 395 184 B Q H X S+ 0 0 48 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.934 111.5 49.8 -59.5 -45.6 8.2 -27.9 45.2 396 185 B D H X S+ 0 0 68 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.903 108.7 50.6 -59.7 -46.4 12.0 -28.4 44.9 397 186 B L H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.900 108.2 54.6 -55.4 -40.7 12.7 -25.6 47.3 398 187 B A H X S+ 0 0 3 -4,-2.3 4,-2.3 -13,-0.3 -2,-0.2 0.956 109.6 45.1 -60.8 -50.9 10.2 -27.1 49.8 399 188 B K H X S+ 0 0 133 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.908 114.1 50.2 -56.7 -46.3 12.0 -30.5 49.7 400 189 B A H X S+ 0 0 21 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.861 108.8 50.2 -64.6 -37.6 15.4 -28.8 50.0 401 190 B L H X S+ 0 0 1 -4,-2.6 4,-0.7 2,-0.2 3,-0.2 0.949 114.2 46.2 -63.2 -45.7 14.4 -26.7 53.0 402 191 B F H >< S+ 0 0 30 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.924 111.4 50.6 -62.0 -46.2 13.0 -29.8 54.7 403 192 B D H 3< S+ 0 0 90 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.750 105.7 58.0 -63.1 -26.5 16.1 -31.8 53.9 404 193 B A H 3< S+ 0 0 27 -4,-1.4 -188,-0.3 -3,-0.2 -1,-0.3 0.673 87.2 101.0 -79.2 -17.5 18.3 -29.0 55.3 405 194 B L S << S- 0 0 7 -3,-1.2 5,-0.1 -4,-0.7 2,-0.0 -0.299 88.9 -93.4 -65.9 150.7 16.6 -29.2 58.7 406 195 B P >> - 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0 0 164 -2,-0.3 4,-2.6 1,-0.1 3,-1.4 -0.211 25.6-117.2 -59.3 147.5 -14.6 -22.4 88.6 564 143 C N H 3> S+ 0 0 21 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.856 111.4 63.0 -49.7 -41.5 -11.5 -20.5 87.3 565 144 C D H 34 S+ 0 0 48 -58,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.742 113.8 32.9 -63.4 -26.4 -13.5 -19.1 84.4 566 145 C L H X4 S+ 0 0 52 -3,-1.4 3,-1.2 2,-0.1 -1,-0.2 0.828 117.2 53.1 -92.6 -41.8 -15.8 -17.2 86.7 567 146 C A H >< S+ 0 0 0 -4,-2.6 3,-2.6 1,-0.2 4,-0.3 0.818 91.5 73.6 -67.4 -32.0 -13.4 -16.4 89.5 568 147 C K G >< S+ 0 0 4 -4,-2.6 3,-1.4 1,-0.3 214,-0.4 0.747 83.6 71.4 -55.6 -23.4 -10.8 -14.8 87.2 569 148 C Y G < S+ 0 0 12 -3,-1.2 214,-1.1 1,-0.3 -1,-0.3 0.706 95.4 51.8 -65.8 -18.6 -13.2 -11.8 87.0 570 149 C A G < S+ 0 0 3 -3,-2.6 -1,-0.3 -4,-0.2 -17,-0.2 0.463 86.3 116.8 -95.3 -1.5 -12.4 -10.9 90.6 571 150 C M < - 0 0 0 -3,-1.4 211,-2.2 -4,-0.3 2,-0.2 -0.413 64.2-127.2 -71.8 136.7 -8.6 -11.0 89.9 572 151 C P B > -N 781 0H 0 0, 0.0 3,-2.1 0, 0.0 -85,-0.2 -0.555 18.1-120.9 -80.8 150.9 -6.6 -7.8 90.4 573 152 C E T 3 S+ 0 0 1 207,-2.2 -85,-2.8 204,-0.3 -86,-0.6 0.631 108.6 70.4 -68.5 -10.9 -4.3 -6.6 87.5 574 153 C S T 3 S+ 0 0 0 204,-1.2 -39,-2.2 206,-0.2 -1,-0.3 0.547 70.9 124.0 -82.4 -4.8 -1.3 -6.8 89.8 575 154 C Y B < -M 534 0G 6 -3,-2.1 -88,-1.9 -41,-0.2 -41,-0.2 -0.270 67.6-111.7 -55.5 139.2 -1.6 -10.6 89.7 576 155 C K E -K 486 0F 58 -43,-2.5 2,-0.3 -90,-0.2 -90,-0.2 -0.447 33.1-170.7 -82.2 146.9 1.6 -12.2 88.6 577 156 C T E -K 485 0F 5 -92,-2.7 -92,-1.3 -2,-0.2 -93,-1.1 -0.835 11.3-148.3-127.5 167.6 2.1 -14.0 85.3 578 157 C H E +K 483 0F 14 -2,-0.3 -74,-2.6 -95,-0.2 2,-0.3 -0.997 25.2 169.4-137.3 133.4 4.9 -16.1 83.8 579 158 C L E -KL 482 503F 0 -97,-2.7 -97,-3.2 -2,-0.4 2,-0.4 -1.000 36.5-130.9-150.0 151.6 5.7 -16.3 80.1 580 159 C A E -KL 481 502F 1 -78,-2.2 -78,-2.2 -2,-0.3 2,-0.4 -0.848 33.7-168.4 -91.0 138.2 8.0 -17.4 77.3 581 160 C Y E -KL 480 501F 1 -101,-2.7 -101,-3.3 -2,-0.4 2,-0.4 -0.965 10.7-175.2-141.0 117.6 8.7 -14.5 74.9 582 161 C S E +KL 479 500F 1 -82,-2.9 -82,-2.8 -2,-0.4 2,-0.3 -0.932 15.4 154.7-119.9 138.2 10.4 -14.7 71.5 583 162 C I E -K 478 0F 1 -105,-1.8 -105,-2.6 -2,-0.4 2,-0.2 -0.991 35.7-117.9-160.7 146.1 11.3 -11.7 69.4 584 163 C N E > -K 477 0F 19 -86,-0.3 4,-2.5 -2,-0.3 -107,-0.2 -0.561 35.9-105.6 -91.2 162.2 13.7 -10.6 66.7 585 164 C A H > S+ 0 0 0 -109,-2.3 4,-2.5 -112,-0.8 -111,-0.2 0.847 117.8 52.5 -55.5 -40.4 16.3 -7.8 67.0 586 165 C R H > S+ 0 0 61 -113,-0.3 4,-1.6 -110,-0.2 -1,-0.2 0.937 113.4 42.4 -64.4 -46.2 14.4 -5.4 64.9 587 166 C S H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.846 112.3 55.6 -68.9 -32.5 11.2 -5.8 66.8 588 167 C L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.912 102.7 54.8 -67.4 -42.1 13.1 -5.7 70.1 589 168 C Q H X S+ 0 0 30 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.933 110.0 47.8 -52.7 -47.1 14.7 -2.3 69.2 590 169 C N H X S+ 0 0 55 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.913 111.8 50.6 -59.0 -42.9 11.1 -1.0 68.7 591 170 C L H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.934 112.2 44.8 -63.2 -50.2 10.0 -2.5 72.0 592 171 C L H X S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.880 113.6 50.6 -63.3 -39.3 12.9 -1.0 74.0 593 172 C T H < S+ 0 0 56 -4,-2.3 4,-0.3 -5,-0.3 -2,-0.2 0.943 116.2 40.0 -64.7 -46.5 12.5 2.4 72.4 594 173 C L H < S+ 0 0 38 -4,-2.4 3,-0.4 -5,-0.2 -2,-0.2 0.862 121.4 41.4 -70.2 -36.0 8.8 2.6 73.1 595 174 C R H < S+ 0 0 42 -4,-2.3 13,-0.3 -5,-0.2 -1,-0.2 0.570 106.4 59.6 -98.0 -10.9 8.8 1.1 76.6 596 175 C S S < S+ 0 0 20 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 0.439 81.9 112.5 -94.0 -2.1 11.9 2.8 78.0 597 176 C S S > S- 0 0 10 -3,-0.4 3,-1.1 -4,-0.3 8,-0.1 -0.267 79.3-124.0 -60.4 154.3 10.3 6.3 77.4 598 177 C N T 3 S+ 0 0 132 1,-0.2 -1,-0.1 7,-0.0 4,-0.1 0.543 111.9 68.7 -78.9 -6.5 9.3 8.3 80.5 599 178 C K T 3 S+ 0 0 111 -5,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.541 87.0 92.6 -82.3 -7.8 5.9 8.3 79.0 600 179 C A S < S- 0 0 8 -3,-1.1 -5,-0.1 1,-0.1 5,-0.1 -0.518 92.1 -89.1 -88.3 153.8 5.7 4.5 79.7 601 180 C L > - 0 0 2 -2,-0.2 4,-2.0 1,-0.1 3,-0.4 -0.327 40.6-119.4 -52.1 137.3 4.3 2.7 82.7 602 181 C K H > S+ 0 0 125 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 112.3 54.0 -50.0 -48.3 7.0 2.2 85.3 603 182 C E H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.883 108.0 50.6 -58.9 -39.5 6.8 -1.6 85.2 604 183 C M H > S+ 0 0 0 -3,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.892 108.4 51.6 -65.6 -39.3 7.3 -1.5 81.5 605 184 C Q H X S+ 0 0 51 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.903 110.8 50.0 -60.6 -41.2 10.3 0.7 81.8 606 185 C D H X S+ 0 0 59 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.932 111.1 48.3 -60.6 -48.2 11.6 -1.9 84.4 607 186 C L H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.911 107.7 54.7 -60.6 -43.7 10.9 -4.7 81.9 608 187 C A H X S+ 0 0 2 -4,-3.0 4,-2.0 -13,-0.3 -1,-0.2 0.910 111.2 45.6 -56.6 -42.9 12.7 -2.8 79.1 609 188 C K H X S+ 0 0 102 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.926 112.0 51.3 -65.9 -45.0 15.8 -2.5 81.3 610 189 C A H X S+ 0 0 19 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.863 109.9 48.9 -60.8 -39.1 15.6 -6.2 82.4 611 190 C L H X S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.935 112.5 48.2 -67.4 -47.2 15.3 -7.4 78.7 612 191 C F H >< S+ 0 0 16 -4,-2.0 3,-1.2 -5,-0.2 -2,-0.2 0.946 112.1 49.5 -54.3 -51.1 18.3 -5.3 77.7 613 192 C D H 3< S+ 0 0 86 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.795 106.2 56.1 -61.0 -31.9 20.3 -6.6 80.8 614 193 C A H 3< S+ 0 0 26 -4,-1.7 -188,-0.3 -5,-0.2 -1,-0.3 0.679 86.4 104.1 -75.5 -16.5 19.4 -10.2 79.9 615 194 C L S << S- 0 0 7 -3,-1.2 5,-0.1 -4,-0.9 -186,-0.0 -0.328 87.7 -97.7 -62.6 145.7 20.9 -9.8 76.4 616 195 C P >> - 0 0 24 0, 0.0 3,-1.2 0, 0.0 4,-0.9 -0.367 35.3-116.9 -62.1 146.5 24.3 -11.4 75.8 617 196 C G H >> S+ 0 0 59 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.875 111.2 59.3 -55.8 -42.2 27.0 -8.7 76.2 618 197 C E H 34 S+ 0 0 101 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.761 108.5 45.3 -60.6 -26.5 28.2 -9.0 72.6 619 198 C H H X4 S+ 0 0 0 -3,-1.2 3,-1.9 1,-0.2 4,-0.3 0.644 89.1 87.8 -89.0 -17.0 24.7 -8.1 71.3 620 199 C Q H XX S+ 0 0 46 -3,-1.0 3,-2.6 -4,-0.9 4,-1.8 0.807 72.8 68.0 -61.1 -34.0 24.0 -5.1 73.6 621 200 C Y T 3< S+ 0 0 45 -4,-0.5 4,-0.4 1,-0.3 -1,-0.3 0.743 93.7 63.6 -59.3 -20.4 25.6 -2.4 71.5 622 201 C L T <4 S+ 0 0 4 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.719 116.2 25.4 -71.4 -20.4 22.8 -3.0 69.1 623 202 C F T X> S+ 0 0 0 -3,-2.6 3,-1.7 -4,-0.3 4,-0.6 0.644 91.7 90.7-120.9 -18.9 20.2 -1.9 71.6 624 203 C E G >< S+ 0 0 75 -4,-1.8 3,-1.0 1,-0.3 4,-0.4 0.811 86.7 56.7 -57.3 -35.8 21.7 0.5 74.2 625 204 C D G >4 S+ 0 0 80 -4,-0.4 3,-1.0 1,-0.2 -1,-0.3 0.783 95.2 67.7 -65.1 -27.0 20.9 3.6 72.1 626 205 C C G <4 S+ 0 0 17 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.791 97.9 52.3 -62.8 -28.2 17.2 2.6 72.2 627 206 C L G << S+ 0 0 41 -3,-1.0 2,-0.8 -4,-0.6 -1,-0.3 0.627 91.1 93.7 -83.4 -14.6 17.1 3.2 75.9 628 207 C K < 0 0 132 -3,-1.0 -31,-0.1 -4,-0.4 -1,-0.0 -0.716 360.0 360.0 -90.7 111.1 18.6 6.7 75.5 629 208 C H 0 0 168 -2,-0.8 -1,-0.2 -33,-0.1 -32,-0.1 0.606 360.0 360.0-118.6 360.0 16.0 9.5 75.2 630 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 631 1 D M 0 0 98 0, 0.0 2,-0.6 0, 0.0 62,-0.2 0.000 360.0 360.0 360.0 122.4 -22.0 -6.0 75.5 632 2 D E E +O 692 0I 88 60,-2.4 60,-2.9 2,-0.0 2,-0.5 -0.854 360.0 176.6-114.7 118.2 -22.3 -3.8 72.5 633 3 D V E +O 691 0I 21 -2,-0.6 2,-0.4 58,-0.2 58,-0.2 -0.972 5.1 177.7-122.7 123.2 -20.8 -4.4 69.1 634 4 D I E -O 690 0I 75 56,-2.3 56,-2.5 -2,-0.5 2,-0.9 -0.960 26.6-137.6-124.3 138.7 -21.4 -2.1 66.1 635 5 D C E +O 689 0I 26 -2,-0.4 54,-0.2 188,-0.4 3,-0.1 -0.847 22.2 179.2 -94.7 103.0 -19.9 -2.3 62.5 636 6 D K E + 0 0 55 52,-1.8 2,-0.3 -2,-0.9 -1,-0.2 0.875 65.4 1.0 -71.4 -41.0 -19.1 1.3 61.7 637 7 D H E -O 688 0I 37 51,-1.4 51,-2.8 -623,-0.0 2,-0.3 -0.993 60.5-177.1-148.0 155.3 -17.7 0.6 58.2 638 8 D Y E -O 687 0I 91 -2,-0.3 49,-0.2 49,-0.2 3,-0.1 -0.982 31.5-106.7-154.9 145.5 -17.1 -2.3 55.8 639 9 D T - 0 0 2 47,-1.9 5,-0.1 -2,-0.3 46,-0.1 -0.467 43.9-107.3 -69.9 133.1 -15.5 -3.0 52.4 640 10 D P >> - 0 0 42 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.361 26.3-120.3 -61.4 140.0 -18.0 -3.7 49.6 641 11 D L H >> S+ 0 0 11 1,-0.3 4,-1.4 2,-0.2 3,-0.8 0.755 106.9 66.0 -49.4 -34.4 -18.0 -7.3 48.5 642 12 D D H 3> S+ 0 0 65 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.736 86.7 69.0 -72.7 -20.4 -17.0 -6.5 44.9 643 13 D I H <> S+ 0 0 7 -3,-1.6 4,-1.5 2,-0.2 -1,-0.3 0.928 104.7 43.9 -53.5 -45.2 -13.6 -5.3 46.0 644 14 D A H X S+ 0 0 0 -4,-1.5 4,-1.2 -5,-0.2 3,-0.6 0.978 109.3 49.0 -64.7 -53.9 -9.2 -9.1 43.3 648 18 D I H 3X S+ 0 0 3 -4,-2.2 4,-0.9 1,-0.2 3,-0.5 0.885 111.5 49.5 -49.1 -45.4 -9.9 -12.7 42.6 649 19 D R H 3X>S+ 0 0 19 -4,-1.9 5,-1.7 1,-0.2 4,-1.1 0.784 101.7 64.9 -70.6 -27.5 -10.6 -12.0 38.9 650 20 D T H <<5S+ 0 0 2 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.871 95.9 56.7 -59.0 -41.5 -7.4 -10.1 38.6 651 21 D C H <5S+ 0 0 16 -4,-1.2 -566,-2.7 -3,-0.5 -563,-0.2 0.930 122.6 23.7 -59.7 -48.8 -5.2 -13.2 39.3 652 22 D W H <5S- 0 0 78 -4,-0.9 -1,-0.2 -568,-0.2 -2,-0.2 0.410 102.8-124.1-100.0 2.5 -6.7 -15.3 36.4 653 23 D Q T <5 + 0 0 70 -4,-1.1 3,-0.3 -5,-0.1 -3,-0.2 0.912 57.4 151.4 54.8 48.7 -7.8 -12.3 34.3 654 24 D S > < + 0 0 23 -5,-1.7 3,-0.8 1,-0.2 4,-0.1 -0.122 16.9 126.2-105.1 37.9 -11.3 -13.7 34.3 655 25 D F G > + 0 0 81 -6,-0.2 3,-1.5 1,-0.2 -1,-0.2 0.775 63.4 68.3 -67.6 -31.6 -13.3 -10.3 33.9 656 26 D E G 3 S+ 0 0 163 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.889 100.8 50.0 -49.7 -40.9 -15.2 -11.5 30.8 657 27 D Y G < S+ 0 0 152 -3,-0.8 -1,-0.2 -8,-0.1 -2,-0.2 0.426 87.8 115.8 -85.3 0.7 -17.0 -14.0 33.1 658 28 D S < - 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0 0 19 0, 0.0 3,-2.0 0, 0.0 4,-1.2 -0.391 34.7-123.3 -58.7 136.8 -23.8 -6.7 57.1 826 196 D G T 34 S+ 0 0 59 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.857 112.6 61.0 -50.9 -37.2 -26.3 -9.5 56.3 827 197 D E T 34 S+ 0 0 101 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.756 107.8 41.6 -61.3 -30.8 -24.7 -9.5 52.8 828 198 D H T X4 S+ 0 0 0 -3,-2.0 3,-2.2 1,-0.1 4,-0.3 0.656 90.1 89.9 -89.4 -19.0 -21.2 -10.5 54.2 829 199 D Q G >X S+ 0 0 45 -4,-1.2 4,-1.6 -3,-0.5 3,-1.5 0.709 71.8 69.4 -58.9 -27.1 -22.4 -13.0 56.7 830 200 D Y G 34 S+ 0 0 50 -4,-0.4 4,-0.3 1,-0.3 -1,-0.3 0.682 93.9 59.4 -67.2 -16.2 -22.3 -16.1 54.4 831 201 D L G <4 S+ 0 0 3 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.680 117.4 29.4 -79.8 -17.8 -18.5 -15.8 54.4 832 202 D F T X> S+ 0 0 0 -3,-1.5 3,-1.1 -4,-0.3 4,-0.7 0.577 91.6 87.7-118.6 -17.4 -18.3 -16.2 58.2 833 203 D E H >X S+ 0 0 77 -4,-1.6 3,-0.8 1,-0.3 4,-0.8 0.836 86.7 56.8 -65.8 -34.2 -21.2 -18.4 59.4 834 204 D D H 34 S+ 0 0 77 -4,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.767 96.9 66.3 -63.5 -26.1 -19.4 -21.7 58.9 835 205 D C H <4 S+ 0 0 16 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.822 102.4 46.5 -64.1 -32.5 -16.7 -20.4 61.2 836 206 D L H << S+ 0 0 34 -3,-0.8 2,-0.8 -4,-0.7 -1,-0.2 0.688 90.2 100.3 -81.0 -22.2 -19.2 -20.4 64.1 837 207 D K < 0 0 151 -4,-0.8 -31,-0.1 1,-0.2 -32,-0.0 -0.576 360.0 360.0 -74.4 106.6 -20.4 -23.9 63.2 838 208 D H 0 0 160 -2,-0.8 -1,-0.2 -33,-0.1 -32,-0.1 0.630 360.0 360.0-115.1 360.0 -18.7 -26.4 65.5