==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAY-04 1VKJ . COMPND 2 MOLECULE: HEPARAN SULFATE (GLUCOSAMINE) 3-O- . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.THORP,K.A.LEE,M.NEGISHI,R.J.LINHARDT,J.LIU,L.C.PEDERSEN . 763 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 48 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 5 4 4 1 6 4 0 1 2 0 0 0 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 3 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 0 PARALLEL BRIDGES PER LADDER . 1 6 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 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 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 54 A S 0 0 117 0, 0.0 2,-0.2 0, 0.0 61,-0.2 0.000 360.0 360.0 360.0 104.7 14.0 110.4 3.8 2 55 A T E -A 61 0A 74 59,-2.2 59,-3.3 57,-0.1 2,-0.5 -0.786 360.0 -89.0-147.5-170.8 15.9 107.6 2.2 3 56 A Q E -A 60 0A 57 -2,-0.2 2,-0.3 57,-0.2 57,-0.1 -0.944 41.5-173.2-113.0 132.3 17.7 104.3 2.9 4 57 A Q - 0 0 88 55,-0.6 3,-0.1 -2,-0.5 62,-0.0 -0.905 29.6-105.5-125.7 154.6 21.4 104.4 3.8 5 58 A L - 0 0 54 -2,-0.3 62,-0.3 1,-0.1 50,-0.1 -0.511 60.7 -78.6 -73.5 148.1 24.1 101.8 4.3 6 59 A P - 0 0 9 0, 0.0 62,-0.2 0, 0.0 -1,-0.1 -0.173 32.0-165.4 -51.2 129.8 24.9 101.2 8.0 7 60 A Q S S+ 0 0 90 60,-1.8 85,-1.1 1,-0.3 2,-0.3 0.604 83.9 17.2 -87.9 -16.1 27.2 103.8 9.6 8 61 A T E -bc 68 92B 1 59,-1.4 61,-1.1 83,-0.1 2,-0.4 -0.989 69.5-155.9-154.8 147.9 27.7 101.3 12.4 9 62 A I E -bc 69 93B 0 83,-1.2 85,-2.8 -2,-0.3 2,-1.0 -0.991 16.7-140.2-132.7 135.4 27.1 97.6 13.0 10 63 A I E -bc 70 94B 0 59,-2.9 61,-2.1 -2,-0.4 64,-0.2 -0.827 25.9-178.9 -91.9 105.4 26.5 95.5 16.2 11 64 A I E - 0 0 1 83,-1.8 64,-2.8 -2,-1.0 2,-0.3 0.554 31.1-148.3 -83.8 -13.1 28.6 92.5 15.3 12 65 A G E - c 0 95B 0 82,-0.7 84,-3.1 1,-0.2 -1,-0.2 -0.979 41.1-127.9 152.9-161.3 28.0 90.3 18.4 13 66 A V > - 0 0 0 -2,-0.3 3,-2.2 82,-0.3 5,-0.3 0.649 52.8-114.6 -88.4 162.6 28.6 88.4 20.4 14 67 A R T 3 S+ 0 0 73 58,-0.5 93,-0.1 1,-0.3 -3,-0.0 -0.380 100.1 5.8 -58.6 126.7 25.6 86.0 20.2 15 68 A K T 3 S+ 0 0 32 -2,-0.1 -1,-0.3 91,-0.1 91,-0.1 0.602 93.0 119.1 73.0 16.5 23.6 86.2 23.5 16 69 A G S < S- 0 0 1 -3,-2.2 -2,-0.1 80,-0.2 -1,-0.1 0.483 99.7 -86.6 -86.0 -1.6 25.7 89.1 24.8 17 70 A G S > S+ 0 0 26 -4,-0.2 4,-1.8 79,-0.1 5,-0.1 0.813 74.1 153.7 100.0 41.4 22.6 91.2 24.8 18 71 A T H > S+ 0 0 6 -5,-0.3 4,-2.4 2,-0.2 5,-0.2 0.846 71.4 54.2 -71.7 -35.4 22.5 92.6 21.3 19 72 A R H > S+ 0 0 36 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.939 110.7 47.6 -63.2 -44.9 18.7 93.1 21.2 20 73 A A H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 111.2 50.3 -62.9 -41.8 18.9 95.2 24.3 21 74 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.923 113.6 45.9 -64.1 -42.5 21.8 97.2 23.0 22 75 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.959 113.8 46.9 -65.1 -52.6 20.0 97.9 19.7 23 76 A E H X S+ 0 0 35 -4,-3.0 4,-0.6 1,-0.2 -2,-0.2 0.907 114.4 47.5 -57.5 -43.5 16.7 98.8 21.4 24 77 A M H >< S+ 0 0 13 -4,-2.4 3,-1.6 -5,-0.2 4,-0.4 0.953 111.6 49.2 -64.2 -47.6 18.3 101.1 23.9 25 78 A L H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.870 100.6 67.6 -59.7 -35.3 20.4 102.9 21.2 26 79 A S H 3< S+ 0 0 36 -4,-2.3 -1,-0.3 1,-0.3 5,-0.2 0.722 82.0 75.7 -57.0 -23.5 17.3 103.3 19.2 27 80 A L T << S+ 0 0 28 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.867 73.7 92.8 -58.5 -34.8 15.9 105.7 21.8 28 81 A H S X S- 0 0 0 -3,-1.7 3,-1.4 -4,-0.4 164,-0.1 -0.448 76.6-143.2 -63.7 121.3 18.3 108.3 20.4 29 82 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.711 97.0 65.5 -58.8 -23.0 16.3 110.3 17.8 30 83 A D T 3 S+ 0 0 59 159,-0.1 36,-1.4 35,-0.1 2,-0.4 0.109 92.0 85.9 -87.0 22.6 19.5 110.6 15.6 31 84 A V E < -d 66 0B 12 -3,-1.4 2,-0.5 -5,-0.2 36,-0.2 -0.985 53.7-169.3-132.3 133.5 19.4 106.8 15.1 32 85 A A E -d 67 0B 9 34,-2.9 36,-2.4 -2,-0.4 2,-0.4 -0.977 18.5-165.0-117.8 122.9 17.6 104.6 12.6 33 86 A A E -d 68 0B 25 -2,-0.5 2,-0.3 34,-0.2 36,-0.2 -0.910 22.8-121.0-119.2 139.0 17.8 100.9 13.3 34 87 A A - 0 0 6 34,-2.5 36,-0.2 -2,-0.4 24,-0.1 -0.536 24.4-139.1 -70.2 127.5 17.0 97.8 11.3 35 88 A E S S+ 0 0 158 -2,-0.3 2,-0.2 34,-0.1 -1,-0.1 0.933 77.1 28.7 -53.9 -54.2 14.3 95.8 13.0 36 89 A N S S- 0 0 113 1,-0.1 34,-0.5 -3,-0.0 2,-0.3 -0.533 96.5 -80.0-108.9 174.1 15.7 92.3 12.4 37 90 A E - 0 0 81 -2,-0.2 34,-0.2 1,-0.1 -1,-0.1 -0.549 36.8-160.5 -71.5 131.5 19.1 90.6 11.9 38 91 A V - 0 0 13 32,-0.4 -1,-0.1 -2,-0.3 33,-0.1 0.880 3.5-159.2 -84.8 -40.3 20.2 91.1 8.3 39 92 A H + 0 0 27 31,-0.1 4,-0.4 3,-0.0 8,-0.2 0.966 39.7 141.9 56.8 54.7 22.8 88.4 7.9 40 93 A F + 0 0 1 6,-0.1 7,-0.7 2,-0.1 3,-0.5 0.933 67.1 35.6 -86.6 -67.5 24.4 90.1 4.9 41 94 A F S S+ 0 0 0 1,-0.2 42,-0.1 5,-0.1 -1,-0.1 0.714 119.9 48.7 -61.2 -25.4 28.1 89.5 5.3 42 95 A D S S+ 0 0 11 1,-0.1 2,-0.5 37,-0.0 -1,-0.2 0.732 98.6 66.2 -92.1 -24.7 27.8 86.0 6.8 43 96 A W >> - 0 0 105 -3,-0.5 4,-3.1 -4,-0.4 3,-1.4 -0.885 63.2-153.1-105.0 124.7 25.4 84.2 4.4 44 97 A E H 3> S+ 0 0 89 -2,-0.5 4,-2.3 1,-0.3 5,-0.2 0.896 96.4 62.8 -56.2 -44.5 26.4 83.5 0.8 45 98 A E H 34 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.772 117.5 30.2 -53.1 -27.9 22.8 83.6 -0.4 46 99 A H H X4 S+ 0 0 37 -3,-1.4 3,-2.4 -6,-0.2 4,-0.3 0.873 115.7 53.7 -97.6 -53.4 22.7 87.2 0.8 47 100 A Y H >< S+ 0 0 69 -4,-3.1 3,-1.4 -7,-0.7 -3,-0.2 0.799 101.4 64.0 -53.1 -30.5 26.3 88.5 0.3 48 101 A S T 3< S+ 0 0 78 -4,-2.3 -1,-0.3 -5,-0.3 -3,-0.1 0.713 91.0 65.5 -69.0 -19.3 26.2 87.4 -3.3 49 102 A Q T < S- 0 0 121 -3,-2.4 4,-0.4 -5,-0.2 3,-0.3 0.577 103.3-135.6 -80.2 -9.2 23.4 89.9 -4.0 50 103 A G X> - 0 0 29 -3,-1.4 4,-1.5 -4,-0.3 3,-1.3 0.016 35.0 -52.6 82.2 170.9 25.7 92.8 -3.4 51 104 A L H 3> S+ 0 0 76 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.745 127.2 68.2 -56.2 -26.8 25.4 96.1 -1.5 52 105 A G H 3> S+ 0 0 48 -3,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.896 102.0 46.1 -61.9 -38.0 22.2 96.9 -3.3 53 106 A W H <> S+ 0 0 56 -3,-1.3 4,-0.9 -4,-0.4 -2,-0.2 0.942 111.3 52.6 -67.0 -46.3 20.5 94.1 -1.5 54 107 A Y H >< S+ 0 0 0 -4,-1.5 3,-0.8 1,-0.2 4,-0.5 0.898 109.7 48.6 -55.6 -44.2 22.0 95.3 1.8 55 108 A L H >< S+ 0 0 59 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.914 104.5 59.3 -62.8 -44.0 20.7 98.8 1.2 56 109 A T H 3< S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.700 103.3 54.0 -58.7 -21.1 17.2 97.4 0.4 57 110 A Q T << S+ 0 0 80 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.598 89.5 97.8 -90.8 -12.7 17.1 95.8 3.8 58 111 A M S < S- 0 0 6 -3,-1.6 2,-0.1 -4,-0.5 -53,-0.1 -0.276 75.8-113.9 -74.3 161.2 17.8 99.1 5.7 59 112 A P - 0 0 33 0, 0.0 -55,-0.6 0, 0.0 2,-0.2 -0.485 39.6 -87.6 -89.9 166.2 15.1 101.2 7.3 60 113 A F E -A 3 0A 141 -2,-0.1 2,-0.3 -57,-0.1 -57,-0.2 -0.535 52.8-178.6 -76.1 138.8 14.2 104.7 6.2 61 114 A S E -A 2 0A 3 -59,-3.3 -59,-2.2 -2,-0.2 6,-0.1 -0.946 26.1-117.4-139.0 160.0 16.3 107.5 7.7 62 115 A S > - 0 0 60 -2,-0.3 3,-2.1 -61,-0.2 -30,-0.1 -0.536 38.5-106.2 -90.0 159.5 16.7 111.3 7.8 63 116 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.893 121.4 53.8 -52.6 -42.2 19.9 113.0 6.6 64 117 A H T 3 S+ 0 0 78 2,-0.0 2,-0.3 -33,-0.0 -2,-0.0 0.169 99.2 90.2 -80.7 20.2 20.8 113.8 10.2 65 118 A Q < - 0 0 50 -3,-2.1 2,-0.4 -34,-0.0 -34,-0.2 -0.771 64.1-142.3-116.3 161.1 20.4 110.1 11.2 66 119 A L E - d 0 31B 19 -36,-1.4 -34,-2.9 -2,-0.3 2,-0.3 -0.977 18.6-132.1-123.7 137.0 22.7 107.1 11.3 67 120 A T E - d 0 32B 0 -2,-0.4 -60,-1.8 -62,-0.3 -59,-1.4 -0.703 20.9-168.4 -91.3 137.9 21.7 103.6 10.4 68 121 A V E -bd 8 33B 0 -36,-2.4 -34,-2.5 -2,-0.3 2,-0.3 -0.964 3.3-169.1-126.8 143.5 22.5 100.6 12.6 69 122 A E E -b 9 0B 0 -61,-1.1 -59,-2.9 -2,-0.4 2,-0.5 -0.963 9.3-148.4-132.8 147.2 22.2 96.9 11.9 70 123 A K E +b 10 0B 2 -34,-0.5 -32,-0.4 -2,-0.3 -59,-0.2 -0.950 28.2 151.5-122.8 118.0 22.4 93.9 14.2 71 124 A T > - 0 0 0 -61,-2.1 3,-2.4 -2,-0.5 4,-0.4 -0.710 18.2-171.8-142.9 87.9 23.7 90.5 13.3 72 125 A P G > S+ 0 0 7 0, 0.0 3,-0.6 0, 0.0 -58,-0.5 0.749 82.1 67.5 -49.7 -30.1 25.2 88.7 16.3 73 126 A A G 3 S+ 0 0 32 1,-0.2 3,-0.4 2,-0.1 -61,-0.1 0.732 80.7 78.2 -68.4 -20.6 26.6 85.9 14.1 74 127 A Y G X S+ 0 0 0 -3,-2.4 3,-1.8 1,-0.2 6,-0.2 0.906 85.2 61.1 -53.8 -45.6 29.1 88.3 12.4 75 128 A F T < S+ 0 0 1 -64,-2.8 -1,-0.2 -3,-0.6 -2,-0.1 0.866 108.5 39.8 -49.9 -48.2 31.5 88.1 15.3 76 129 A T T 3 S+ 0 0 32 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.091 93.3 95.8 -94.8 22.5 32.2 84.4 15.1 77 130 A S X - 0 0 24 -3,-1.8 3,-1.5 1,-0.1 -1,-0.1 -0.914 61.5-154.8-116.7 105.3 32.2 84.1 11.3 78 131 A P T 3 S+ 0 0 91 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.794 89.1 54.6 -43.1 -46.1 35.8 84.2 10.0 79 132 A K T 3> S+ 0 0 82 1,-0.2 4,-1.1 2,-0.1 -5,-0.0 0.725 93.7 75.0 -67.2 -23.3 34.9 85.5 6.4 80 133 A V H <> S+ 0 0 0 -3,-1.5 4,-2.3 -6,-0.2 5,-0.3 0.894 81.8 59.7 -59.8 -52.5 33.0 88.5 7.7 81 134 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.920 106.5 46.3 -44.6 -60.6 35.7 91.0 8.9 82 135 A E H > S+ 0 0 113 -4,-0.4 4,-1.5 1,-0.2 -2,-0.2 0.897 112.6 52.9 -51.4 -43.7 37.5 91.4 5.5 83 136 A R H X S+ 0 0 42 -4,-1.1 4,-1.3 2,-0.2 3,-0.3 0.920 110.3 44.6 -60.0 -48.3 34.1 91.8 3.8 84 137 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 3,-0.4 0.903 111.1 56.0 -63.0 -40.5 32.9 94.6 6.0 85 138 A H H < S+ 0 0 60 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.806 103.2 55.1 -60.9 -31.2 36.3 96.2 5.7 86 139 A S H < S+ 0 0 88 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.840 107.8 48.9 -72.1 -31.6 35.9 96.1 1.9 87 140 A M H < S- 0 0 41 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.888 139.9 -16.1 -74.0 -38.7 32.7 98.0 2.2 88 141 A N >< - 0 0 62 -4,-2.2 3,-1.6 -5,-0.1 -1,-0.2 -0.591 51.7-165.1-169.3 101.5 34.2 100.7 4.6 89 142 A P T 3 S+ 0 0 64 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.586 93.3 53.7 -67.6 -7.3 37.5 100.3 6.4 90 143 A T T 3 S+ 0 0 90 -5,-0.1 -5,-0.1 68,-0.1 68,-0.0 0.419 78.4 126.8-106.7 -0.2 36.6 103.3 8.7 91 144 A I < - 0 0 6 -3,-1.6 2,-0.5 -7,-0.2 -83,-0.1 -0.154 59.4-123.4 -57.3 150.9 33.2 102.0 9.9 92 145 A R E -c 8 0B 65 -85,-1.1 -83,-1.2 71,-0.1 2,-0.3 -0.868 25.6-155.5-104.6 128.7 32.7 101.8 13.6 93 146 A L E -ce 9 163B 0 69,-2.4 71,-2.0 -2,-0.5 2,-0.5 -0.785 6.6-147.3-107.6 145.5 31.7 98.5 15.2 94 147 A L E -ce 10 164B 0 -85,-2.8 -83,-1.8 -2,-0.3 -82,-0.7 -0.946 15.2-178.3-113.6 126.2 29.8 97.6 18.4 95 148 A L E -ce 12 165B 0 69,-2.6 71,-3.4 -2,-0.5 2,-0.6 -0.980 5.8-167.5-126.1 118.6 30.7 94.5 20.3 96 149 A I E + e 0 166B 0 -84,-3.1 2,-0.3 -2,-0.5 71,-0.2 -0.923 13.8 173.5-110.0 124.1 28.8 93.5 23.5 97 150 A L E - e 0 167B 0 69,-2.1 71,-3.6 -2,-0.6 72,-0.5 -0.956 8.9-178.4-129.1 146.3 30.2 90.7 25.6 98 151 A R - 0 0 28 -2,-0.3 5,-0.1 70,-0.3 159,-0.1 -0.844 54.7 -41.5-134.4 172.7 29.4 89.3 29.0 99 152 A D > - 0 0 4 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 -0.016 54.4-132.1 -35.6 124.0 30.8 86.6 31.2 100 153 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.839 105.8 48.6 -50.9 -37.4 31.9 83.7 29.0 101 154 A S H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.946 110.8 47.9 -72.1 -47.0 30.2 81.2 31.3 102 155 A E H > S+ 0 0 46 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.944 111.2 53.7 -56.6 -44.9 26.9 83.1 31.5 103 156 A R H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.910 106.4 51.2 -56.3 -45.8 27.0 83.4 27.7 104 157 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.912 111.1 48.4 -59.0 -42.3 27.4 79.7 27.3 105 158 A L H X S+ 0 0 11 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.912 111.8 48.6 -65.9 -41.6 24.4 79.1 29.5 106 159 A S H X S+ 0 0 15 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.903 109.5 53.2 -63.9 -38.7 22.3 81.7 27.7 107 160 A D H X S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.945 110.8 46.6 -59.9 -49.4 23.2 80.1 24.4 108 161 A Y H X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.943 110.6 51.5 -58.9 -50.7 22.1 76.7 25.7 109 162 A T H X S+ 0 0 16 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.880 108.7 54.1 -54.8 -38.5 18.8 78.0 27.0 110 163 A Q H X S+ 0 0 33 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.965 111.5 42.2 -58.8 -55.4 18.3 79.6 23.6 111 164 A V H X S+ 0 0 27 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.837 113.9 53.2 -63.6 -34.9 18.7 76.3 21.7 112 165 A L H X S+ 0 0 48 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.978 109.7 47.4 -63.4 -55.8 16.7 74.4 24.3 113 166 A Y H X S+ 0 0 94 -4,-2.6 4,-1.5 1,-0.2 3,-0.2 0.940 110.9 51.6 -49.9 -54.9 13.8 76.8 24.0 114 167 A N H >< S+ 0 0 78 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.926 108.3 51.7 -49.8 -51.4 13.9 76.6 20.2 115 168 A H H ><>S+ 0 0 60 -4,-2.3 5,-1.5 1,-0.3 3,-1.3 0.886 109.3 49.8 -54.0 -43.7 13.8 72.8 20.2 116 169 A L H ><5S+ 0 0 100 -4,-2.2 3,-1.0 1,-0.3 -1,-0.3 0.715 99.3 64.3 -71.5 -20.3 10.8 72.8 22.5 117 170 A Q T <<5S+ 0 0 131 -4,-1.5 -1,-0.3 -3,-0.9 -2,-0.2 0.236 110.5 42.0 -83.3 14.9 8.9 75.2 20.3 118 171 A K T < 5S- 0 0 173 -3,-1.3 -1,-0.2 2,-0.3 -2,-0.2 0.130 112.7-113.6-143.5 16.6 9.1 72.4 17.7 119 172 A H T < 5S+ 0 0 98 -3,-1.0 -3,-0.2 1,-0.2 -4,-0.1 0.449 75.9 133.8 62.3 -3.3 8.3 69.4 19.9 120 173 A K < - 0 0 40 -5,-1.5 -2,-0.3 -6,-0.2 -1,-0.2 -0.551 54.4-125.0 -78.1 142.3 11.9 68.3 19.2 121 174 A P - 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.558 24.9-174.9 -87.8 154.9 13.9 67.1 22.4 122 175 A Y - 0 0 59 -2,-0.2 3,-0.1 -6,-0.0 -10,-0.0 -0.982 24.3-115.4-149.8 135.0 17.2 68.4 23.7 123 176 A P - 0 0 53 0, 0.0 2,-0.1 0, 0.0 5,-0.0 -0.077 40.1 -85.7 -69.1 170.1 19.4 67.1 26.6 124 177 A P >> - 0 0 80 0, 0.0 3,-1.8 0, 0.0 4,-0.7 -0.477 45.9-108.2 -71.8 148.2 20.2 69.0 29.8 125 178 A I H >> S+ 0 0 10 1,-0.3 4,-2.3 2,-0.2 3,-1.1 0.833 115.0 65.3 -49.7 -38.0 23.3 71.3 29.5 126 179 A E H 3> S+ 0 0 94 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.833 96.5 57.4 -55.1 -33.6 25.5 69.0 31.6 127 180 A D H <4 S+ 0 0 97 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.828 111.2 42.2 -66.0 -32.3 25.3 66.3 29.0 128 181 A L H << S+ 0 0 32 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.856 115.1 48.4 -82.5 -38.4 26.7 68.6 26.3 129 182 A L H < S+ 0 0 0 -4,-2.3 7,-2.9 6,-0.1 2,-0.3 0.847 102.5 64.6 -72.9 -38.6 29.4 70.2 28.4 130 183 A M E < +F 135 0C 37 -4,-1.9 2,-0.3 5,-0.2 5,-0.2 -0.703 50.9 166.8 -95.7 142.7 31.1 67.1 29.9 131 184 A R E > S-F 134 0C 113 3,-2.7 3,-1.5 -2,-0.3 6,-0.1 -0.861 74.5 -23.4-153.1 110.9 32.8 64.4 27.9 132 185 A D T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.880 127.8 -46.2 53.2 43.6 35.0 61.8 29.6 133 186 A G T 3 S+ 0 0 58 1,-0.2 2,-0.3 3,-0.0 -1,-0.3 0.425 125.9 71.1 84.8 -1.4 35.6 63.9 32.7 134 187 A R E < S-F 131 0C 182 -3,-1.5 -3,-2.7 1,-0.0 -1,-0.2 -0.836 93.8 -68.7-138.2 174.7 36.5 67.2 30.9 135 188 A L E -F 130 0C 23 -2,-0.3 2,-1.0 -5,-0.2 -5,-0.2 -0.426 49.3-118.2 -68.1 141.5 34.8 69.9 28.9 136 189 A N > - 0 0 14 -7,-2.9 3,-2.2 -8,-0.2 6,-0.2 -0.708 22.0-165.8 -84.4 99.7 33.6 68.8 25.5 137 190 A L T 3 S+ 0 0 119 -2,-1.0 -1,-0.2 1,-0.3 6,-0.1 0.456 83.6 69.7 -67.3 2.7 35.5 71.0 23.0 138 191 A D T 3 S+ 0 0 139 -10,-0.2 2,-1.1 -9,-0.1 -1,-0.3 0.451 70.3 103.7 -98.3 -0.6 33.1 69.9 20.3 139 192 A Y X> - 0 0 22 -3,-2.2 3,-1.9 1,-0.2 4,-0.9 -0.716 64.3-153.2 -84.5 100.6 30.2 71.9 21.9 140 193 A K H 3> S+ 0 0 51 -2,-1.1 4,-1.8 1,-0.3 3,-0.4 0.814 88.5 68.6 -42.3 -42.1 30.0 74.9 19.6 141 194 A A H 34 S+ 0 0 0 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.878 98.0 52.1 -49.4 -41.8 28.6 77.1 22.4 142 195 A L H X4 S+ 0 0 3 -3,-1.9 3,-1.6 1,-0.2 4,-0.3 0.902 105.3 54.7 -62.4 -42.1 32.0 76.9 24.2 143 196 A N H >< S+ 0 0 81 -4,-0.9 3,-1.7 -3,-0.4 -1,-0.2 0.872 99.2 61.2 -60.8 -37.7 33.8 78.1 21.1 144 197 A R T 3< S+ 0 0 45 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.594 99.7 56.8 -66.9 -8.9 31.6 81.2 20.8 145 198 A S T < S+ 0 0 1 -3,-1.6 2,-2.5 -4,-0.3 -1,-0.3 0.498 75.0 99.6 -99.2 -5.2 32.9 82.3 24.2 146 199 A L X> + 0 0 32 -3,-1.7 4,-1.6 -4,-0.3 3,-0.5 -0.453 50.2 173.0 -80.2 69.1 36.5 82.3 23.2 147 200 A Y H 3> + 0 0 3 -2,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.826 69.4 56.8 -46.8 -41.7 36.5 86.0 22.7 148 201 A H H 3> S+ 0 0 44 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 104.4 50.9 -60.3 -48.3 40.3 86.2 22.1 149 202 A A H <> S+ 0 0 48 -3,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.907 117.1 40.3 -57.1 -43.8 40.3 83.7 19.3 150 203 A H H >X S+ 0 0 13 -4,-1.6 4,-0.8 1,-0.2 3,-0.6 0.830 107.7 61.9 -76.2 -32.3 37.5 85.6 17.4 151 204 A M H >X S+ 0 0 1 -4,-2.8 4,-2.4 -5,-0.2 3,-1.1 0.888 94.3 63.0 -62.6 -38.1 38.8 89.1 18.2 152 205 A L H 3X S+ 0 0 71 -4,-1.9 4,-1.1 1,-0.3 -1,-0.2 0.870 97.2 58.1 -54.9 -36.5 42.0 88.4 16.3 153 206 A N H << S+ 0 0 38 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.824 111.0 42.2 -64.7 -28.9 40.0 88.0 13.1 154 207 A W H XX S+ 0 0 1 -3,-1.1 4,-2.1 -4,-0.8 3,-1.6 0.873 109.0 55.0 -85.1 -38.1 38.6 91.5 13.5 155 208 A L H 3< S+ 0 0 44 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.671 94.4 72.0 -69.1 -15.6 41.8 93.2 14.6 156 209 A R T 3< S+ 0 0 153 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.713 117.0 18.9 -72.2 -15.7 43.4 91.9 11.5 157 210 A F T <4 S+ 0 0 52 -3,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.554 124.1 51.9-126.6 -18.1 41.3 94.4 9.5 158 211 A F S < S- 0 0 6 -4,-2.1 2,-0.2 -68,-0.0 -1,-0.2 -0.915 79.0-112.4-127.6 151.8 40.2 97.0 12.0 159 212 A P > - 0 0 67 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.566 29.0-123.2 -77.5 143.6 42.0 99.2 14.6 160 213 A L G > S+ 0 0 66 1,-0.3 3,-1.9 -2,-0.2 -5,-0.0 0.888 111.9 62.4 -54.4 -38.7 41.1 98.4 18.2 161 214 A G G 3 S+ 0 0 60 1,-0.3 -1,-0.3 3,-0.1 3,-0.1 0.614 98.0 56.0 -64.0 -12.3 40.0 101.9 18.7 162 215 A H G < S+ 0 0 48 -3,-2.2 -69,-2.4 1,-0.2 2,-0.6 0.407 95.1 72.5 -99.4 0.6 37.2 101.4 16.1 163 216 A I E < S-e 93 0B 5 -3,-1.9 2,-0.5 -4,-0.3 -69,-0.2 -0.854 71.9-158.4-118.8 94.5 35.7 98.5 17.9 164 217 A H E -e 94 0B 32 -71,-2.0 -69,-2.6 -2,-0.6 2,-0.7 -0.604 7.0-148.4 -76.2 123.0 33.9 99.6 21.0 165 218 A I E -e 95 0B 8 -2,-0.5 2,-0.4 -71,-0.2 -69,-0.2 -0.817 8.0-155.8 -95.9 116.1 33.4 96.8 23.5 166 219 A V E -e 96 0B 0 -71,-3.4 -69,-2.1 -2,-0.7 2,-0.9 -0.779 21.4-121.9 -90.3 130.8 30.2 97.2 25.6 167 220 A D E > -e 97 0B 8 -2,-0.4 4,-2.4 -71,-0.2 -69,-0.2 -0.620 24.0-165.9 -75.7 105.0 30.3 95.4 29.0 168 221 A G H > S+ 0 0 1 -71,-3.6 4,-1.5 -2,-0.9 -70,-0.3 0.860 84.7 51.4 -59.9 -41.2 27.3 93.0 28.8 169 222 A D H > S+ 0 0 29 -72,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.912 112.8 46.5 -64.1 -42.3 27.2 92.3 32.5 170 223 A R H > S+ 0 0 51 1,-0.2 4,-3.5 2,-0.2 -2,-0.2 0.872 104.7 59.7 -68.7 -36.9 27.1 95.9 33.3 171 224 A L H < S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.904 108.6 47.3 -56.7 -39.7 24.5 96.7 30.7 172 225 A I H < S+ 0 0 67 -4,-1.5 34,-0.3 2,-0.2 -1,-0.2 0.882 118.2 39.3 -67.9 -41.1 22.3 94.2 32.6 173 226 A R H < S+ 0 0 51 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.833 139.7 0.1 -81.3 -32.9 23.0 95.7 36.0 174 227 A D X - 0 0 42 -4,-3.5 4,-0.7 -5,-0.1 -1,-0.2 -0.528 65.7-178.6-162.9 83.7 23.0 99.5 35.1 175 228 A P H >> + 0 0 1 0, 0.0 4,-2.2 0, 0.0 3,-1.0 0.870 69.5 67.6 -49.0 -61.0 22.4 100.3 31.4 176 229 A F H 3> S+ 0 0 39 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.824 96.9 52.6 -37.0 -55.4 22.6 104.1 31.3 177 230 A P H 3> S+ 0 0 16 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.903 113.8 43.8 -53.8 -42.3 26.4 104.4 32.0 178 231 A E H S+ 0 0 7 -4,-2.4 5,-2.3 1,-0.2 4,-0.7 0.960 112.2 47.6 -51.8 -54.5 26.8 107.6 22.4 184 237 A R H ><5S+ 0 0 171 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.894 111.4 51.2 -54.8 -43.9 30.2 109.3 22.9 185 238 A F H 3<5S+ 0 0 25 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.907 113.8 42.4 -61.3 -45.4 31.9 106.6 20.8 186 239 A L H 3<5S- 0 0 22 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.461 114.7-121.3 -80.5 -1.9 29.5 107.0 17.9 187 240 A K T <<5 + 0 0 152 -3,-0.7 2,-0.2 -4,-0.7 -3,-0.2 0.899 58.7 150.8 62.0 45.8 29.7 110.8 18.4 188 241 A L < - 0 0 27 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.0 -0.634 54.1 -93.9-101.0 163.1 26.0 111.4 19.0 189 242 A S - 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0 0 33 -3,-1.8 3,-2.5 -4,-0.1 -1,-0.1 -0.874 62.6-155.8-124.7 93.5 -27.6 117.8 37.4 596 131 C P T 3 S+ 0 0 102 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.696 89.2 60.6 -38.8 -32.0 -29.6 115.5 34.9 597 132 C K T 3> S+ 0 0 73 1,-0.2 4,-0.9 2,-0.1 -5,-0.0 0.607 91.6 67.0 -76.0 -17.7 -30.2 118.5 32.5 598 133 C V H <> S+ 0 0 2 -3,-2.5 4,-2.1 -6,-0.3 5,-0.3 0.777 85.1 67.0 -77.7 -32.7 -26.5 119.2 31.7 599 134 C P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.972 105.5 40.7 -51.6 -64.2 -25.5 116.0 29.8 600 135 C E H > S+ 0 0 38 -4,-0.4 4,-1.2 1,-0.2 5,-0.2 0.911 113.4 55.8 -51.3 -51.3 -27.7 116.7 26.7 601 136 C R H >X S+ 0 0 49 -4,-0.9 3,-1.5 1,-0.2 4,-0.7 0.945 108.7 43.3 -50.4 -61.2 -26.9 120.4 26.7 602 137 C I H >X S+ 0 0 41 -4,-2.1 3,-2.2 1,-0.3 4,-1.7 0.917 110.1 59.8 -51.5 -43.8 -23.1 120.1 26.5 603 138 C H H 3< S+ 0 0 13 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.730 101.3 53.9 -55.5 -28.4 -23.6 117.4 23.9 604 139 C S H << S+ 0 0 91 -3,-1.5 -1,-0.3 -4,-1.2 -2,-0.2 0.613 107.9 50.7 -81.9 -15.8 -25.4 119.9 21.8 605 140 C M H << S- 0 0 60 -3,-2.2 -2,-0.2 -4,-0.7 -1,-0.2 0.755 141.2 -19.1 -90.0 -26.2 -22.4 122.1 22.1 606 141 C N >< - 0 0 78 -4,-1.7 3,-2.0 3,-0.1 -2,-0.2 -0.321 52.4-167.0 179.9 87.7 -20.0 119.3 21.0 607 142 C P T 3 S+ 0 0 89 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.542 95.3 53.0 -61.2 -3.5 -20.9 115.6 21.2 608 143 C T T 3 S+ 0 0 61 -5,-0.1 -5,-0.1 68,-0.1 68,-0.0 0.529 80.1 123.6-106.6 -10.9 -17.2 114.8 20.7 609 144 C I < - 0 0 31 -3,-2.0 2,-0.5 -7,-0.1 -83,-0.1 -0.036 62.5-117.4 -49.5 155.4 -15.8 116.9 23.5 610 145 C R E -s 526 0J 34 -85,-1.2 -83,-0.9 71,-0.0 2,-0.4 -0.885 27.7-156.0-107.8 127.3 -13.7 115.2 26.2 611 146 C L E -su 527 681J 15 69,-3.3 71,-1.9 -2,-0.5 2,-0.6 -0.880 9.3-149.7-114.7 135.2 -14.7 115.0 29.8 612 147 C L E -su 528 682J 3 -85,-1.7 -83,-2.0 -2,-0.4 -82,-0.7 -0.850 14.2-178.9-101.5 113.4 -12.9 114.6 33.2 613 148 C L E -su 530 683J 10 69,-2.4 2,-0.7 -2,-0.6 71,-0.5 -0.868 5.4-169.1-116.5 100.0 -14.7 112.8 36.1 614 149 C I E + u 0 684J 0 -84,-2.0 2,-0.3 -2,-0.5 71,-0.2 -0.759 13.0 177.7 -92.1 112.8 -12.7 112.5 39.4 615 150 C L E - u 0 685J 1 69,-1.8 71,-3.4 -2,-0.7 72,-0.6 -0.846 9.0-174.9-116.2 152.1 -14.3 110.2 42.1 616 151 C R - 0 0 32 -2,-0.3 5,-0.2 70,-0.2 149,-0.1 -0.869 51.3 -45.7-136.7 169.4 -13.4 109.0 45.5 617 152 C D > - 0 0 3 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.042 54.6-132.7 -35.2 123.1 -14.6 106.6 48.2 618 153 C P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.889 104.4 47.9 -47.7 -48.9 -18.4 107.2 48.4 619 154 C S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.951 112.0 48.2 -62.4 -48.9 -18.4 107.4 52.2 620 155 C E H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.936 110.0 54.0 -54.7 -48.3 -15.4 109.8 52.3 621 156 C R H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.902 105.6 52.9 -54.3 -46.7 -17.0 112.0 49.7 622 157 C V H >X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 3,-0.6 0.974 109.4 47.9 -54.5 -55.6 -20.2 112.2 51.8 623 158 C L H 3X S+ 0 0 46 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.874 109.6 53.3 -53.3 -39.9 -18.2 113.3 54.8 624 159 C S H 3X S+ 0 0 30 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.876 107.8 52.0 -63.5 -36.8 -16.3 115.9 52.8 625 160 C D H XX S+ 0 0 12 -4,-2.0 4,-2.5 -3,-0.6 3,-0.6 0.962 110.6 45.9 -61.7 -58.4 -19.6 117.3 51.5 626 161 C Y H 3X S+ 0 0 23 -4,-2.2 4,-3.4 1,-0.3 5,-0.3 0.940 110.5 53.0 -51.6 -53.7 -21.1 117.8 55.0 627 162 C T H 3X S+ 0 0 86 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.3 0.819 110.6 50.9 -52.2 -32.6 -17.9 119.3 56.3 628 163 C Q H <>S+ 0 0 54 -4,-2.2 3,-2.2 -3,-0.2 5,-1.8 0.951 110.9 52.3 -62.4 -48.1 -23.0 128.0 57.4 634 169 C L H ><5S+ 0 0 110 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.662 98.7 65.0 -64.0 -15.0 -20.5 128.8 60.2 635 170 C Q T 3<5S+ 0 0 126 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.310 110.3 40.5 -88.0 10.1 -18.9 131.3 57.9 636 171 C K T < 5S- 0 0 165 -3,-2.2 -1,-0.2 2,-0.2 -2,-0.2 -0.008 109.2-112.5-145.1 31.5 -22.3 133.1 58.2 637 172 C H T < 5S+ 0 0 109 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.685 76.9 138.0 40.5 18.8 -23.4 132.8 61.8 638 173 C K < - 0 0 41 -5,-1.8 -2,-0.2 -6,-0.2 2,-0.2 -0.728 54.0-111.7 -95.4 143.3 -26.2 130.5 60.2 639 174 C P + 0 0 118 0, 0.0 -1,-0.0 0, 0.0 -5,-0.0 -0.476 32.7 174.9 -78.6 142.3 -27.3 127.1 61.9 640 175 C Y - 0 0 66 -2,-0.2 3,-0.1 -10,-0.0 -10,-0.0 -0.999 30.4-110.8-145.8 138.3 -26.7 123.5 60.6 641 176 C P - 0 0 51 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.134 41.0 -94.6 -65.2 159.8 -27.4 120.1 62.1 642 177 C P >> - 0 0 75 0, 0.0 3,-2.0 0, 0.0 4,-1.0 -0.498 40.3-111.4 -72.3 149.5 -24.7 117.7 63.3 643 178 C I H >> S+ 0 0 39 1,-0.3 4,-2.1 2,-0.2 3,-1.2 0.904 117.3 59.0 -47.6 -50.4 -23.8 115.2 60.6 644 179 C E H 3> S+ 0 0 63 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.769 103.3 57.8 -53.6 -21.2 -25.3 112.2 62.5 645 180 C D H <4 S+ 0 0 106 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.853 106.0 43.6 -79.9 -34.4 -28.5 114.2 62.4 646 181 C L H << S+ 0 0 32 -3,-1.2 -2,-0.2 -4,-1.0 -1,-0.2 0.789 120.4 45.3 -79.9 -25.7 -28.8 114.5 58.6 647 182 C L H < S+ 0 0 16 -4,-2.1 7,-3.7 6,-0.1 -2,-0.2 0.987 99.3 60.3 -79.5 -71.4 -27.8 110.9 58.1 648 183 C M E < +V 653 0K 62 -4,-1.3 2,-0.3 5,-0.2 5,-0.2 -0.410 54.0 173.2 -68.2 134.1 -29.7 108.6 60.6 649 184 C R E > S-V 652 0K 40 3,-3.5 3,-1.0 -2,-0.1 6,-0.1 -0.835 73.0 -23.3-144.7 100.0 -33.5 108.5 60.4 650 185 C D T 3 S- 0 0 111 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.941 126.6 -48.5 63.3 49.5 -35.3 106.0 62.5 651 186 C G T 3 S+ 0 0 86 1,-0.2 2,-0.3 3,-0.0 -1,-0.2 0.358 127.9 79.4 75.0 -7.5 -32.3 103.6 62.8 652 187 C R E < S-V 649 0K 61 -3,-1.0 -3,-3.5 -5,-0.1 2,-0.2 -0.817 93.2 -74.7-128.4 170.0 -31.7 103.8 59.0 653 188 C L E -V 648 0K 39 -2,-0.3 2,-1.2 -5,-0.2 -5,-0.2 -0.438 44.4-124.1 -67.9 129.2 -30.0 106.0 56.5 654 189 C N > - 0 0 48 -7,-3.7 3,-2.2 -2,-0.2 6,-0.2 -0.620 19.0-162.5 -75.9 96.8 -32.1 109.1 55.7 655 190 C L T 3 S+ 0 0 130 -2,-1.2 -1,-0.2 1,-0.3 -8,-0.1 0.445 82.2 73.9 -61.9 2.5 -32.4 108.8 51.9 656 191 C D T 3 + 0 0 81 -10,-0.2 2,-0.8 -9,-0.2 -1,-0.3 0.507 66.2 109.7 -93.8 -4.6 -33.4 112.5 51.9 657 192 C Y X> - 0 0 18 -3,-2.2 4,-1.2 1,-0.2 3,-0.9 -0.623 62.2-150.5 -76.4 109.0 -29.9 113.6 52.6 658 193 C K H 3> S+ 0 0 53 -2,-0.8 4,-2.0 1,-0.2 3,-0.4 0.853 92.4 62.0 -46.1 -43.6 -28.7 115.3 49.3 659 194 C A H 34 S+ 0 0 1 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.908 99.9 52.9 -52.3 -49.3 -25.1 114.3 50.1 660 195 C L H X4 S+ 0 0 3 -3,-0.9 3,-1.3 1,-0.2 -1,-0.2 0.862 106.7 52.8 -56.0 -39.4 -25.8 110.6 50.0 661 196 C N H >< S+ 0 0 81 -4,-1.2 3,-2.7 -3,-0.4 -1,-0.2 0.947 100.3 61.0 -63.2 -45.7 -27.4 110.9 46.6 662 197 C R T 3< S+ 0 0 59 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.527 100.9 57.0 -60.7 -2.5 -24.4 112.6 45.2 663 198 C S T < S+ 0 0 1 -3,-1.3 2,-1.4 -4,-0.3 -1,-0.3 0.309 75.5 96.5-109.7 5.5 -22.4 109.4 46.0 664 199 C L <> + 0 0 32 -3,-2.7 4,-1.5 1,-0.2 3,-0.5 -0.587 51.5 172.4 -93.3 69.0 -24.6 107.1 44.0 665 200 C Y H > + 0 0 3 -2,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.805 68.2 61.3 -48.7 -39.2 -22.1 107.3 41.1 666 201 C H H >> S+ 0 0 55 85,-0.2 4,-1.6 -3,-0.2 3,-0.5 0.956 103.8 48.5 -56.1 -53.1 -23.9 104.6 39.1 667 202 C A H 3> S+ 0 0 54 -3,-0.5 4,-0.8 1,-0.2 -2,-0.2 0.927 113.6 45.1 -52.2 -54.6 -27.1 106.5 38.9 668 203 C H H 3< S+ 0 0 20 -4,-1.5 -1,-0.2 1,-0.2 4,-0.2 0.701 105.4 63.6 -67.1 -19.3 -25.5 109.8 37.8 669 204 C M H XX S+ 0 0 15 -4,-1.6 3,-3.2 -3,-0.5 4,-1.9 0.957 93.1 60.7 -69.5 -48.9 -23.3 107.9 35.2 670 205 C L H 3X S+ 0 0 82 -4,-1.6 4,-1.5 1,-0.3 -1,-0.2 0.843 97.1 60.8 -44.6 -42.3 -26.3 106.7 33.2 671 206 C N H 3< S+ 0 0 32 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.588 111.8 39.2 -64.0 -13.3 -27.2 110.4 32.5 672 207 C W H X> S+ 0 0 24 -3,-3.2 4,-1.7 -4,-0.2 3,-0.9 0.694 108.1 59.1-106.1 -28.6 -23.9 110.9 30.8 673 208 C L H 3< S+ 0 0 69 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.750 97.9 63.6 -70.6 -26.1 -23.7 107.6 29.0 674 209 C R T 3< S+ 0 0 76 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.1 0.622 119.6 23.3 -72.1 -16.8 -27.0 108.5 27.2 675 210 C F T <4 S+ 0 0 95 -3,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.469 126.9 46.5-124.0 -13.1 -25.2 111.5 25.5 676 211 C F S < S- 0 0 19 -4,-1.7 2,-0.3 -68,-0.0 -1,-0.2 -0.988 78.2-114.2-139.5 146.5 -21.5 110.3 25.7 677 212 C P > - 0 0 71 0, 0.0 3,-3.3 0, 0.0 4,-0.5 -0.571 35.5-116.1 -75.2 130.4 -19.4 107.1 24.9 678 213 C L G > S+ 0 0 79 1,-0.3 3,-1.5 -2,-0.3 81,-0.0 0.840 114.9 58.7 -33.4 -47.1 -17.8 105.5 28.0 679 214 C G G 3 S+ 0 0 76 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.284 93.4 62.1 -71.6 8.7 -14.4 106.4 26.4 680 215 C H G < S+ 0 0 75 -3,-3.3 -69,-3.3 1,-0.2 2,-0.5 0.345 95.6 68.5-109.8 0.8 -14.9 110.2 26.2 681 216 C I E < S-u 611 0J 27 -3,-1.5 2,-0.5 -4,-0.5 -69,-0.2 -0.909 75.9-154.4-124.8 98.1 -15.2 110.5 29.9 682 217 C H E -u 612 0J 45 -71,-1.9 -69,-2.4 -2,-0.5 2,-1.0 -0.644 8.2-145.5 -76.4 118.3 -11.9 109.8 31.7 683 218 C I E -u 613 0J 17 -2,-0.5 2,-0.3 -71,-0.2 -69,-0.2 -0.723 12.4-158.4 -89.5 96.3 -12.5 108.5 35.3 684 219 C V E -u 614 0J 1 -2,-1.0 -69,-1.8 -71,-0.5 2,-0.8 -0.544 22.2-120.4 -73.1 132.2 -9.7 109.8 37.5 685 220 C D E > -u 615 0J 23 -2,-0.3 4,-2.1 1,-0.2 -69,-0.2 -0.620 25.4-165.3 -75.9 111.7 -9.2 107.8 40.8 686 221 C G H > S+ 0 0 2 -71,-3.4 4,-1.1 -2,-0.8 -70,-0.2 0.881 84.2 49.9 -67.4 -42.2 -9.7 110.4 43.5 687 222 C D H >> S+ 0 0 30 -72,-0.6 4,-1.6 1,-0.2 3,-0.7 0.950 112.8 48.8 -62.4 -45.4 -8.3 108.4 46.4 688 223 C R H 3> S+ 0 0 60 1,-0.2 4,-4.2 2,-0.2 -2,-0.2 0.879 104.2 58.8 -62.7 -38.4 -5.2 107.7 44.3 689 224 C L H 3< S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.807 106.8 49.3 -61.1 -28.7 -4.7 111.3 43.3 690 225 C I H << S+ 0 0 61 -4,-1.1 34,-0.4 -3,-0.7 -1,-0.2 0.884 122.3 32.6 -75.1 -40.0 -4.5 112.2 47.0 691 226 C R H < S+ 0 0 65 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.812 139.2 10.1 -86.6 -37.0 -1.9 109.5 47.7 692 227 C D X + 0 0 1 -4,-4.2 4,-0.7 -5,-0.2 -1,-0.2 -0.586 67.6 171.0-150.5 80.7 0.0 109.4 44.4 693 228 C P H >> + 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-1.5 0.972 66.1 63.5 -53.2 -75.0 -0.8 112.3 42.0 694 229 C F H 3> S+ 0 0 27 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.719 99.8 54.0 -26.2 -54.2 1.7 112.1 39.2 695 230 C P H 3> S+ 0 0 6 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.917 113.1 43.3 -54.2 -43.4 0.6 108.6 37.9 696 231 C E H S+ 0 0 8 -4,-2.4 5,-2.5 1,-0.2 4,-0.5 0.956 112.4 47.5 -52.5 -52.4 -2.3 113.9 29.8 702 237 C R H ><5S+ 0 0 76 -4,-2.4 3,-1.0 3,-0.2 -1,-0.2 0.911 111.4 50.9 -55.8 -46.3 -2.4 110.8 27.6 703 238 C F H 3<5S+ 0 0 60 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.908 114.1 42.5 -59.1 -46.0 -6.2 110.9 27.5 704 239 C L H 3<5S- 0 0 33 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.429 114.8-121.9 -80.6 0.0 -6.3 114.5 26.4 705 240 C K T <<5 + 0 0 86 -3,-1.0 2,-0.2 -4,-0.5 -3,-0.2 0.904 58.1 151.2 59.5 47.5 -3.4 113.7 24.0 706 241 C L < - 0 0 27 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.0 -0.641 54.2 -93.6-102.5 163.7 -1.0 116.3 25.5 707 242 C S - 0 0 51 -2,-0.2 2,-2.5 1,-0.1 3,-0.2 -0.593 45.7-103.1 -77.5 135.9 2.8 116.1 25.5 708 243 C P + 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.320 69.0 143.8 -60.8 80.7 4.1 114.5 28.7 709 244 C Q + 0 0 103 -2,-2.5 2,-0.4 2,-0.0 -2,-0.0 0.505 40.4 87.8 -99.5 -7.6 5.2 117.9 30.1 710 245 C I - 0 0 9 -3,-0.2 2,-0.3 -13,-0.1 -167,-0.0 -0.799 60.9-161.0 -97.8 135.8 4.5 117.2 33.7 711 246 C N > - 0 0 91 -2,-0.4 3,-3.2 1,-0.1 4,-0.2 -0.844 33.8-116.5-116.0 152.3 7.1 115.6 35.9 712 247 C A G > S+ 0 0 29 -2,-0.3 3,-2.0 1,-0.3 -18,-0.1 0.839 115.3 69.6 -50.9 -31.1 7.0 113.8 39.3 713 248 C S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 3,-0.0 -252,-0.0 0.631 82.7 72.5 -62.3 -14.7 9.2 116.8 40.4 714 249 C N G < S+ 0 0 25 -3,-3.2 13,-2.1 12,-0.1 2,-0.3 0.584 96.3 57.9 -77.3 -10.7 6.1 119.0 40.0 715 250 C F E < +W 726 0L 10 -3,-2.0 2,-0.3 -4,-0.2 11,-0.2 -0.920 59.3 170.3-122.4 146.8 4.6 117.4 43.1 716 251 C Y E -W 725 0L 66 9,-1.7 9,-2.1 -2,-0.3 2,-0.2 -0.954 34.1-114.4-155.4 136.0 5.8 117.2 46.7 717 252 C F E -W 724 0L 106 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.497 24.5-152.6 -73.7 138.7 4.2 116.1 49.9 718 253 C N E >> -W 723 0L 30 5,-1.5 4,-3.1 -2,-0.2 5,-0.6 -0.952 4.1-159.0-115.7 113.2 3.8 118.8 52.5 719 254 C K T 45S+ 0 0 83 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.900 92.3 47.1 -55.6 -49.8 3.7 117.6 56.2 720 255 C T T 45S+ 0 0 137 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.897 118.2 42.9 -63.0 -39.1 1.9 120.7 57.7 721 256 C K T 45S- 0 0 50 2,-0.2 -2,-0.2 1,-0.0 -1,-0.2 0.948 95.1-138.7 -71.9 -51.5 -0.7 120.6 54.9 722 257 C G T <5S+ 0 0 35 -4,-3.1 2,-0.3 1,-0.4 -3,-0.1 0.439 73.0 70.8 102.3 3.4 -1.4 116.8 54.8 723 258 C F E - 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