==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 07-SEP-05 2D2C . COMPND 2 MOLECULE: CYTOCHROME B6; . SOURCE 2 ORGANISM_SCIENTIFIC: MASTIGOCLADUS LAMINOSUS; . AUTHOR J.YAN,G.KURISU,W.A.CRAMER . 1828 16 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 97068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1081 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 13 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 149 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 261 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 458 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 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 15 5 2 1 4 4 1 2 1 0 0 2 2 1 4 0 1 0 0 4 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 . 14 6 6 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 2 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 13 A E 0 0 209 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -41.5 54.1 23.5 103.3 2 14 A I - 0 0 132 3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.512 360.0-171.8-116.6 -23.4 56.9 25.1 101.3 3 15 A Q - 0 0 114 2,-0.1 0, 0.0 1,-0.0 0, 0.0 0.799 35.8-112.0 27.5 132.1 59.0 25.6 104.4 4 16 A A + 0 0 81 1,-0.2 2,-0.3 4,-0.0 -1,-0.0 0.949 59.1 165.3 -42.5 -69.0 62.2 27.7 104.3 5 17 A L - 0 0 73 1,-0.1 2,-0.9 1018,-0.1 -1,-0.2 -0.651 63.5 -23.3 88.0-141.7 64.2 24.5 105.0 6 18 A A S S- 0 0 28 -2,-0.3 2,-1.0 1,-0.1 -1,-0.1 -0.587 104.0 -92.3-101.4 62.7 68.0 24.4 104.4 7 19 A D + 0 0 141 -2,-0.9 2,-0.7 1,-0.1 -1,-0.1 -0.511 60.4 177.0 67.9 -98.4 67.5 27.3 102.0 8 20 A D + 0 0 89 -2,-1.0 -1,-0.1 1,-0.1 -3,-0.1 -0.821 15.1 142.1 108.0 -92.8 67.0 25.5 98.5 9 21 A V - 0 0 114 -2,-0.7 2,-2.7 1,-0.2 -1,-0.1 0.604 66.9 -16.7 32.8 173.9 66.3 27.9 95.6 10 22 A T + 0 0 99 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.009 63.4 173.3 -37.0 62.8 67.3 28.0 91.9 11 23 A S + 0 0 92 -2,-2.7 -1,-0.2 -3,-0.1 -2,-0.1 0.909 54.5 91.9 -46.2 -45.3 70.2 25.6 92.4 12 24 A K - 0 0 95 1,-0.1 0, 0.0 -3,-0.1 0, 0.0 -0.281 60.5-176.6 -51.7 122.1 70.6 25.6 88.7 13 25 A Y + 0 0 198 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.138 43.8 23.6-129.8 54.2 73.2 28.4 88.1 14 26 A V - 0 0 82 200,-0.0 -1,-0.2 202,-0.0 203,-0.1 -0.544 68.6-104.3 159.5 135.3 74.0 29.2 84.3 15 27 A P - 0 0 20 0, 0.0 203,-0.1 0, 0.0 202,-0.1 0.150 28.2-132.3 -58.2 175.9 72.6 28.9 80.7 16 28 A P - 0 0 47 0, 0.0 182,-0.2 0, 0.0 2,-0.2 0.695 22.0-136.7 -99.2-101.0 73.7 26.3 78.0 17 29 A H - 0 0 42 200,-0.3 2,-0.1 198,-0.1 182,-0.1 -0.728 35.5 -52.3 178.0-126.1 74.6 27.2 74.4 18 30 A V S S+ 0 0 103 -2,-0.2 2,-0.3 180,-0.1 200,-0.0 -0.582 76.0 100.7-153.3 83.6 74.0 26.0 70.8 19 31 A N - 0 0 72 -2,-0.1 -2,-0.1 1,-0.1 0, 0.0 -0.991 37.4-165.2-161.4 164.7 74.8 22.3 69.9 20 32 A I S S+ 0 0 95 -2,-0.3 -1,-0.1 3,-0.0 866,-0.0 0.746 76.5 62.8-124.2 -45.2 73.4 18.7 69.3 21 33 A F S > S+ 0 0 54 2,-0.1 3,-0.6 793,-0.1 70,-0.1 0.977 80.2 92.8 -47.7 -71.3 75.9 15.8 69.3 22 34 A Y T 3 + 0 0 67 1,-0.2 -3,-0.1 69,-0.1 66,-0.0 0.100 59.2 85.8 -22.5 120.9 76.8 16.4 72.9 23 35 A C T >> + 0 0 48 65,-0.0 4,-2.5 206,-0.0 3,-0.5 -0.112 58.5 85.0 168.8 -48.6 74.3 14.0 74.6 24 36 A L H <> S+ 0 0 27 -3,-0.6 4,-5.5 1,-0.2 5,-0.3 0.762 81.5 68.9 -47.9 -33.4 76.0 10.6 74.6 25 37 A G H 3> S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.985 109.3 33.3 -51.2 -63.2 77.7 11.6 77.8 26 38 A G H <> S+ 0 0 47 -3,-0.5 4,-3.2 1,-0.2 -2,-0.2 0.904 119.8 55.5 -58.3 -40.7 74.5 11.6 79.7 27 39 A I H X S+ 0 0 10 -4,-2.5 4,-1.5 2,-0.2 5,-0.2 0.946 104.4 50.9 -56.7 -54.4 73.4 8.7 77.5 28 40 A T H X S+ 0 0 12 -4,-5.5 4,-0.7 56,-0.3 -2,-0.2 0.974 112.2 48.8 -47.1 -60.8 76.4 6.6 78.3 29 41 A L H >X S+ 0 0 47 -4,-2.4 3,-3.3 -5,-0.3 4,-1.0 0.902 102.9 62.7 -43.1 -57.0 75.6 7.2 82.0 30 42 A T H >X S+ 0 0 14 -4,-3.2 3,-1.1 1,-0.3 4,-0.9 0.877 97.4 54.1 -31.9 -75.2 71.9 6.3 81.5 31 43 A C H 3X S+ 0 0 1 -4,-1.5 4,-1.1 1,-0.3 -1,-0.3 0.658 102.3 64.8 -38.2 -22.5 72.6 2.7 80.5 32 44 A F H XX S+ 0 0 28 -3,-3.3 4,-3.2 -4,-0.7 3,-2.1 0.989 96.4 50.0 -67.2 -60.7 74.5 2.6 83.7 33 45 A L H < S+ 0 0 14 -4,-1.4 3,-2.9 -5,-0.4 4,-0.5 0.941 116.5 36.4 -43.7 -74.8 72.8 -5.6 87.8 40 52 A F H >X S+ 0 0 47 -4,-2.1 3,-4.9 -5,-0.5 4,-0.6 0.927 104.6 70.4 -42.9 -60.6 71.9 -5.2 91.5 41 53 A A H 3< S+ 0 0 1 -4,-2.9 -1,-0.3 1,-0.3 3,-0.2 0.676 101.6 50.2 -31.7 -23.3 68.5 -6.7 90.8 42 54 A M T XX S+ 0 0 32 -3,-2.9 4,-3.2 -4,-0.8 3,-2.2 0.640 82.3 83.1 -95.8 -18.3 70.5 -9.9 90.4 43 55 A T T <4 S+ 0 0 10 -3,-4.9 1052,-0.4 -4,-0.5 -1,-0.2 0.649 90.5 61.6 -59.9 -10.6 72.6 -9.7 93.6 44 56 A F T 3< S+ 0 0 31 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.698 118.9 20.6 -85.8 -24.4 69.5 -11.3 95.0 45 57 A Y T <4 S+ 0 0 36 -3,-2.2 -2,-0.2 1046,-0.1 2,-0.2 0.633 93.6 105.6-121.1 -20.8 69.7 -14.4 92.8 46 58 A Y < - 0 0 25 -4,-3.2 11,-0.0 1045,-0.1 -4,-0.0 -0.431 50.2-154.9 -71.9 136.5 73.3 -14.8 91.6 47 59 A K - 0 0 37 6,-0.3 2,-2.6 -2,-0.2 6,-1.1 -0.736 5.4-169.1-113.8 84.8 75.5 -17.6 93.1 48 60 A P + 0 0 16 0, 0.0 2,-0.3 0, 0.0 121,-0.1 -0.388 49.3 112.0 -70.9 69.7 79.2 -16.7 92.7 49 61 A T S S- 0 0 6 -2,-2.6 -2,-0.1 1,-0.2 920,-0.0 -0.941 74.8-118.0-140.9 158.0 80.5 -20.1 93.8 50 62 A V S S+ 0 0 58 -2,-0.3 4,-0.3 1,-0.1 -1,-0.2 0.996 108.5 46.5 -57.3 -71.1 82.2 -22.9 92.0 51 63 A T S S+ 0 0 87 2,-0.1 4,-0.3 -3,-0.1 -1,-0.1 0.880 126.0 19.7 -35.4 -68.6 79.6 -25.6 92.4 52 64 A E S > S+ 0 0 40 1,-0.1 3,-1.7 2,-0.1 2,-1.0 0.945 80.1 100.6 -73.1 -97.8 76.6 -23.6 91.4 53 65 A A T 3> S+ 0 0 0 -6,-1.1 4,-2.4 1,-0.3 3,-0.5 -0.166 97.6 37.1 41.7 -82.5 76.9 -20.3 89.4 54 66 A Y H 3> S+ 0 0 17 -2,-1.0 4,-2.3 -4,-0.3 3,-0.4 0.972 118.7 49.5 -55.5 -55.8 75.9 -21.8 86.0 55 67 A A H <4 S+ 0 0 50 -3,-1.7 4,-0.4 -4,-0.3 -1,-0.3 0.747 114.1 50.5 -54.9 -21.0 73.4 -24.1 87.5 56 68 A S H > S+ 0 0 2 -3,-0.5 4,-0.7 -9,-0.2 -1,-0.3 0.830 105.3 51.6 -86.6 -37.2 72.2 -20.9 89.3 57 69 A V H >X S+ 0 0 10 -4,-2.4 4,-2.4 -3,-0.4 3,-0.7 0.849 100.7 62.5 -68.1 -34.8 71.9 -18.7 86.2 58 70 A Q H 3X S+ 0 0 69 -4,-2.3 4,-2.4 1,-0.3 -1,-0.3 0.896 100.1 58.4 -55.5 -33.3 69.8 -21.3 84.5 59 71 A Y H 3> S+ 0 0 114 -4,-0.4 4,-1.6 -5,-0.3 -1,-0.3 0.839 105.1 46.7 -65.0 -36.4 67.6 -20.4 87.5 60 72 A I H << S+ 0 0 11 -4,-0.7 8,-0.6 -3,-0.7 7,-0.3 0.935 121.5 35.1 -73.0 -48.7 67.3 -16.8 86.5 61 73 A M H < S+ 0 0 26 -4,-2.4 7,-0.5 6,-0.3 6,-0.2 0.996 115.4 58.9 -62.8 -68.0 66.6 -17.4 82.9 62 74 A N H < S- 0 0 77 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.719 129.4 -30.3 -20.7 -71.8 64.5 -20.6 83.7 63 75 A E S X S+ 0 0 89 -4,-1.6 4,-0.8 -5,-0.2 5,-0.4 -0.011 77.5 124.5-126.1-128.8 62.0 -18.8 85.9 64 76 A V T >4 S- 0 0 5 1,-0.2 3,-3.0 2,-0.2 2,-0.8 0.837 88.1 -77.3 60.7 108.8 62.1 -15.7 88.2 65 77 A S T 34 S- 0 0 33 595,-0.8 -1,-0.2 593,-0.4 595,-0.2 -0.031 114.5 -17.3 -38.6 81.7 59.4 -13.3 87.1 66 78 A F T >> S+ 0 0 75 -2,-0.8 4,-1.8 -5,-0.2 3,-0.9 0.616 83.1 150.4 93.2 16.1 61.3 -12.0 84.0 67 79 A G H S+ 0 0 41 -8,-0.6 4,-2.9 -7,-0.5 -1,-0.3 0.782 109.7 51.8 -28.3 -47.0 65.8 -13.3 81.0 69 81 A L H <> S+ 0 0 26 -3,-0.9 4,-2.7 2,-0.2 5,-0.3 0.984 110.7 41.7 -60.5 -66.5 64.6 -9.8 80.7 70 82 A I H X S+ 0 0 9 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.965 121.2 45.3 -46.2 -64.0 66.6 -8.2 83.4 71 83 A R H X S+ 0 0 34 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.926 111.2 49.8 -42.2 -76.4 69.6 -10.2 82.4 72 84 A S H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 -1,-0.2 0.825 112.8 48.7 -31.0 -58.4 69.4 -9.6 78.7 73 85 A I H X>S+ 0 0 11 -4,-2.7 4,-2.9 1,-0.2 5,-0.6 0.966 110.1 50.5 -46.4 -66.6 69.0 -5.9 79.2 74 86 A H H X5S+ 0 0 31 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.860 112.2 49.2 -37.8 -49.3 72.0 -5.8 81.5 75 87 A R H X5S+ 0 0 78 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.977 121.8 32.1 -59.7 -58.3 73.9 -7.7 78.9 76 88 A W H X5S+ 0 0 9 -4,-3.3 4,-2.0 2,-0.2 5,-0.3 0.998 117.5 53.1 -62.3 -65.7 72.9 -5.4 76.1 77 89 A S H X5S+ 0 0 0 -4,-2.9 4,-3.3 160,-0.2 3,-0.3 0.861 113.0 50.3 -34.4 -47.7 72.7 -2.2 78.1 78 90 A A H >XX S+ 0 0 20 -4,-2.0 4,-2.8 -3,-0.3 3,-1.1 0.833 100.5 49.7 -95.4 -42.7 75.7 -0.8 74.8 81 93 A M H S+ 0 0 7 -3,-1.1 4,-2.0 -5,-0.3 5,-0.3 0.877 112.0 49.7 -90.3 -58.4 79.3 1.9 72.7 84 96 A M H X S+ 0 0 39 -4,-2.8 4,-1.6 1,-0.2 -56,-0.3 0.841 111.9 54.1 -46.8 -36.0 77.5 5.0 73.7 85 97 A M H X S+ 0 0 24 -4,-3.5 4,-1.3 -5,-0.2 3,-0.5 0.980 102.8 52.3 -64.4 -58.0 80.6 5.8 75.7 86 98 A I H >X S+ 0 0 58 -4,-1.0 4,-1.5 1,-0.3 3,-0.6 0.859 110.2 49.3 -47.9 -41.9 83.1 5.5 72.9 87 99 A L H 3X S+ 0 0 8 -4,-2.0 4,-2.9 1,-0.3 5,-0.3 0.904 101.9 63.0 -65.3 -39.6 81.0 7.9 70.8 88 100 A H H 3X S+ 0 0 35 -4,-1.6 4,-1.3 -3,-0.5 -1,-0.3 0.795 102.0 52.8 -53.4 -29.7 81.0 10.3 73.8 89 101 A V H < S+ 0 0 18 -4,-1.3 3,-6.4 -5,-0.3 -2,-0.2 0.981 118.0 35.9 -67.8 -86.8 84.7 15.2 72.7 93 105 A Y H 3< S+ 0 0 38 -4,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.827 112.9 63.9 -34.6 -44.5 87.9 14.9 70.8 94 106 A L T 3< S+ 0 0 17 -4,-3.7 -1,-0.3 -5,-0.4 -2,-0.2 0.667 128.2 7.7 -54.0 -21.6 85.8 15.9 67.8 95 107 A T S < S- 0 0 40 -3,-6.4 -3,-0.2 -5,-0.4 -2,-0.1 0.259 107.9 -99.1-122.8-104.3 85.4 19.1 69.7 96 108 A G + 0 0 23 -5,-0.2 -1,-0.2 212,-0.1 -2,-0.1 -0.167 52.2 148.5-150.7-116.0 87.5 19.6 72.9 97 109 A G S S+ 0 0 27 100,-0.1 2,-0.9 1,-0.1 9,-0.3 0.121 72.0 87.3 85.9 -25.4 87.1 19.3 76.7 98 110 A F S S+ 0 0 9 8,-0.1 5,-0.1 5,-0.1 -1,-0.1 -0.694 70.5 85.3-106.3 78.3 90.7 18.3 76.9 99 111 A K S S- 0 0 50 -2,-0.9 -1,-0.0 -3,-0.0 203,-0.0 0.234 91.8 -35.9-136.4-100.1 92.3 21.8 77.2 100 112 A K S S+ 0 0 48 825,-0.0 826,-0.5 826,-0.0 3,-0.2 0.873 122.3 20.1-108.6 -53.1 93.0 24.2 80.1 101 113 A P S S+ 0 0 23 0, 0.0 4,-0.1 0, 0.0 -3,-0.0 0.774 128.4 45.1 -90.3 -32.5 90.3 24.3 82.9 102 114 A R S > S+ 0 0 30 1,-0.2 2,-1.4 2,-0.1 4,-1.1 0.005 75.8 140.7 -93.4 19.7 88.6 20.9 82.3 103 115 A E T 4 S+ 0 0 88 1,-0.2 -1,-0.2 -3,-0.2 -5,-0.1 0.365 81.2 23.3 -50.4 19.1 92.2 19.8 82.0 104 116 A L T >>S+ 0 0 67 -2,-1.4 4,-3.4 -7,-0.2 5,-0.6 0.537 93.2 83.6-154.7 -40.9 90.8 16.9 83.9 105 117 A T T 45S+ 0 0 12 1,-0.2 4,-0.5 2,-0.2 -2,-0.1 0.704 107.5 46.5 -51.1 -14.5 87.1 16.2 83.5 106 118 A W T X5S+ 0 0 35 -4,-1.1 4,-2.4 -9,-0.3 -1,-0.2 0.900 114.0 43.9 -88.1 -60.1 88.5 14.5 80.4 107 119 A I H >5S+ 0 0 38 -5,-0.3 4,-1.7 2,-0.3 5,-0.2 0.948 113.9 48.8 -51.2 -58.9 91.3 12.7 82.2 108 120 A S H X5S+ 0 0 11 -4,-3.4 4,-2.4 1,-0.3 5,-0.2 0.972 108.8 57.2 -44.7 -55.0 89.1 11.6 85.0 109 121 A G H >X S+ 0 0 24 -4,-2.4 3,-2.8 1,-0.3 4,-1.2 0.942 106.0 46.3 -40.1 -66.9 89.7 8.4 80.9 111 123 A I H >X S+ 0 0 47 -4,-1.7 4,-2.2 1,-0.3 3,-1.2 0.914 103.8 63.7 -41.7 -52.4 89.7 6.5 84.2 112 124 A L H 3X S+ 0 0 23 -4,-2.4 4,-2.2 1,-0.3 -1,-0.3 0.826 102.2 52.3 -43.2 -35.0 86.0 6.3 83.9 113 125 A A H X S+ 0 0 11 -4,-2.2 3,-1.7 1,-0.3 4,-1.1 0.921 113.2 44.8 -41.6 -65.4 83.8 0.7 82.6 117 129 A V H >X S+ 0 0 46 -4,-2.9 4,-1.0 1,-0.3 3,-0.8 0.917 111.1 57.3 -47.0 -45.9 85.8 -1.7 80.4 118 130 A S H 3X S+ 0 0 37 -4,-3.4 4,-1.4 1,-0.2 -1,-0.3 0.776 92.8 67.9 -57.7 -30.7 86.8 -3.5 83.6 119 131 A F H X S+ 0 0 12 -4,-1.4 3,-3.1 -3,-0.2 4,-0.7 0.938 125.6 32.4 -81.1 -79.1 84.7 -9.3 85.5 123 135 A G H >< S+ 0 0 13 -4,-1.9 3,-2.2 1,-0.3 -2,-0.2 0.876 110.7 71.0 -43.4 -44.7 80.9 -9.7 85.1 124 136 A Y T 3< S+ 0 0 44 -4,-3.8 -1,-0.3 -5,-0.4 -3,-0.2 0.533 105.2 37.0 -51.1 -12.3 81.7 -11.0 81.6 125 137 A S T X4 S+ 0 0 17 -3,-3.1 3,-1.2 -5,-0.4 -1,-0.3 0.401 92.2 91.0-121.2 -3.7 83.1 -14.2 83.1 126 138 A L T << S+ 0 0 19 -3,-2.2 -2,-0.2 -4,-0.7 -3,-0.1 0.889 70.0 72.1 -59.8 -44.3 80.7 -14.6 86.0 127 139 A P T 3 S- 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -70,-0.2 0.626 101.8-125.2 -49.1 -17.8 78.2 -16.8 84.1 128 140 A W < + 0 0 53 -3,-1.2 125,-0.1 1,-0.1 -2,-0.1 0.652 56.0 155.7 78.5 15.2 80.6 -19.8 84.2 129 141 A D - 0 0 30 1,-0.1 4,-0.2 4,-0.1 5,-0.2 0.098 57.5-117.2 -60.9-177.9 80.4 -20.1 80.4 130 142 A Q S > S+ 0 0 5 3,-0.2 4,-1.1 2,-0.2 5,-0.3 0.765 120.8 40.0 -90.7 -33.3 83.2 -21.7 78.5 131 143 A V H > S+ 0 0 42 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.958 119.5 44.6 -74.4 -55.4 83.7 -18.4 76.8 132 144 A G H 4 S+ 0 0 1 2,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.790 116.3 51.7 -59.9 -30.0 83.2 -16.4 79.9 133 145 A Y H >4 S+ 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F T >> S+ 0 0 77 -5,-0.1 4,-1.9 3,-0.1 3,-0.7 0.599 89.1 147.7 65.4 13.6 95.3 -11.6 109.8 989 79 N G H <> + 0 0 0 -3,-2.9 4,-1.9 -7,-0.3 -6,-0.3 0.922 69.8 54.5 -39.1 -70.8 91.8 -12.7 109.0 990 80 N W H 3> S+ 0 0 31 -8,-0.6 4,-2.9 -7,-0.5 -1,-0.3 0.796 109.5 51.3 -29.3 -49.3 90.9 -13.0 112.7 991 81 N L H <> S+ 0 0 28 -3,-0.7 4,-2.8 2,-0.2 5,-0.3 0.986 111.3 42.1 -58.5 -67.1 92.0 -9.4 113.1 992 82 N I H X S+ 0 0 13 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.957 120.8 45.0 -45.1 -65.1 90.0 -7.9 110.2 993 83 N R H X S+ 0 0 28 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.918 111.5 49.6 -41.3 -76.8 87.0 -9.9 111.3 994 84 N S H X S+ 0 0 0 -4,-2.9 4,-3.4 1,-0.2 -1,-0.2 0.826 113.0 48.4 -31.3 -58.2 87.2 -9.3 115.0 995 85 N I H X>S+ 0 0 9 -4,-2.8 4,-2.9 -5,-0.3 5,-0.6 0.970 110.5 50.3 -47.0 -65.3 87.5 -5.6 114.4 996 86 N H H X5S+ 0 0 31 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.877 112.2 49.4 -38.5 -50.2 84.6 -5.6 112.1 997 87 N R H X5S+ 0 0 57 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.967 121.9 32.0 -58.5 -56.5 82.7 -7.5 114.8 998 88 N 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121,-0.2 -0.175 48.2-110.6 -49.7 157.2 76.4 -19.4 113.7 1052 142 N Q H > S+ 0 0 14 119,-1.0 4,-1.0 2,-0.2 5,-0.3 0.874 129.1 43.2 -60.2 -31.9 73.6 -21.5 115.3 1053 143 N V H > S+ 0 0 27 118,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.954 116.6 44.6 -72.9 -53.4 73.0 -18.2 117.0 1054 144 N G H 4 S+ 0 0 0 2,-0.2 -2,-0.2 117,-0.1 -4,-0.2 0.781 115.7 52.3 -62.1 -29.2 73.5 -16.2 113.8 1055 145 N Y H >< S+ 0 0 22 -4,-4.5 3,-1.6 -5,-0.2 -3,-0.2 0.911 115.4 30.3 -68.9 -90.8 71.4 -18.7 112.0 1056 146 N W H >X S+ 0 0 6 -4,-1.0 3,-3.8 1,-0.3 4,-0.9 0.724 106.0 70.1 -37.3 -47.5 68.2 -19.0 113.9 1057 147 N A T 3< S+ 0 0 7 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 0.401 109.7 38.5 -61.2 7.9 68.0 -15.4 115.3 1058 148 N V T <4 S+ 0 0 5 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.105 107.3 63.0-137.2 8.0 67.3 -14.3 111.7 1059 149 N K T <4 S+ 0 0 50 -3,-3.8 -2,-0.2 -4,-0.2 -3,-0.2 0.308 111.9 40.8-108.4 -6.2 65.2 -17.3 111.1 1060 150 N I S >X S+ 0 0 30 -4,-0.9 3,-1.2 2,-0.1 4,-0.7 0.708 111.5 51.2-109.4 -39.1 63.1 -15.7 113.8 1061 151 N V T 34 S+ 0 0 23 -5,-0.3 -3,-0.1 1,-0.3 -2,-0.1 0.491 101.8 66.8 -78.2 -2.4 63.3 -12.1 112.8 1062 152 N S T 34 S+ 0 0 5 1,-0.1 -1,-0.3 2,-0.1 18,-0.2 0.579 97.9 51.9 -90.1 -13.7 62.3 -13.3 109.4 1063 153 N G T X4 S+ 0 0 24 -3,-1.2 3,-2.8 1,-0.1 4,-0.3 0.704 82.6 90.2 -92.7 -21.9 58.9 -14.2 110.8 1064 154 N V G >< S+ 0 0 35 -4,-0.7 3,-0.7 1,-0.3 -1,-0.1 0.851 91.0 45.2 -38.3 -51.4 58.3 -10.8 112.3 1065 155 N P G 3 S+ 0 0 24 0, 0.0 11,-0.5 0, 0.0 -1,-0.3 0.390 77.6 98.1 -78.8 -0.5 56.5 -9.6 109.1 1066 156 N E G < S+ 0 0 114 -3,-2.8 2,-0.2 9,-0.1 7,-0.2 0.639 82.3 73.4 -64.7 -3.2 54.4 -12.6 108.5 1067 157 N A < + 0 0 30 -3,-0.7 9,-0.1 -4,-0.3 0, 0.0 -0.710 67.7 61.6-109.5 157.9 51.8 -10.3 110.2 1068 158 N I S >>S- 0 0 62 -2,-0.2 2,-1.8 4,-0.2 5,-1.5 0.160 102.6 -53.0 100.6 141.8 50.0 -7.2 108.9 1069 159 N P T 45S- 0 0 104 0, 0.0 2,-1.6 0, 0.0 -2,-0.1 -0.167 94.4 -71.8 -46.2 76.5 47.5 -6.9 105.9 1070 160 N V T 45S+ 0 0 78 -2,-1.8 -2,-0.0 1,-0.3 -3,-0.0 0.271 125.5 99.7 49.4 -16.1 49.8 -8.5 103.3 1071 161 N V T 45S+ 0 0 103 -2,-1.6 -1,-0.3 1,-0.1 -3,-0.1 0.692 108.8 13.3 -65.1 -12.0 51.8 -5.3 103.6 1072 162 N G T >X5S+ 0 0 3 -4,-0.9 4,-2.8 -6,-0.1 3,-1.2 0.628 124.8 60.2-127.3 -45.6 53.6 -7.8 105.7 1073 163 N V H >> S+ 0 0 19 -2,-0.3 4,-0.8 -6,-0.2 -5,-0.0 -0.715 88.0 11.5 166.9-110.2 68.4 -21.7 103.2 1087 177 N Q H > S+ 0 0 38 -2,-0.2 4,-1.3 2,-0.1 -115,-0.1 0.888 132.3 35.5 -71.1 -38.3 69.9 -20.7 99.9 1088 178 N A H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.978 104.5 63.1 -79.2 -62.9 67.9 -17.6 99.4 1089 179 N T H > S+ 0 0 8 -9,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.791 110.9 46.5 -31.9 -39.1 67.5 -16.1 102.8 1090 180 N L H X S+ 0 0 3 -4,-0.8 4,-2.6 2,-0.2 3,-0.5 0.998 110.3 46.5 -68.5 -72.3 71.2 -15.8 102.7 1091 181 N T H X S+ 0 0 16 -4,-1.3 4,-1.8 1,-0.3 5,-0.2 0.766 112.3 53.2 -40.9 -38.3 71.8 -14.3 99.3 1092 182 N R H X S+ 0 0 10 -4,-2.6 4,-1.3 2,-0.2 -1,-0.3 0.971 114.2 42.6 -63.5 -52.4 69.1 -11.7 99.9 1093 183 N Y H >X S+ 0 0 14 -4,-1.5 4,-3.0 -3,-0.5 3,-1.0 0.977 114.9 48.1 -56.2 -62.9 70.7 -10.7 103.2 1094 184 N Y H 3X>S+ 0 0 17 -4,-2.6 4,-3.6 1,-0.3 5,-0.7 0.934 110.4 49.6 -41.8 -71.7 74.3 -10.7 101.8 1095 185 N S H 3X>S+ 0 0 1 -4,-1.8 5,-2.2 -1052,-0.4 4,-1.3 0.770 116.6 47.8 -40.0 -31.8 73.5 -8.6 98.7 1096 186 N A H <<5S+ 0 0 16 -4,-1.3 -2,-0.2 -3,-1.0 -1,-0.2 0.982 113.4 42.2 -73.8 -66.1 71.7 -6.4 101.2 1097 187 N H H <5S+ 0 0 29 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.779 131.0 28.7 -50.2 -34.9 74.5 -6.1 103.8 1098 188 N T H <5S+ 0 0 23 -4,-3.6 -1,-0.2 -5,-0.3 -3,-0.2 0.742 138.5 17.6-101.9 -28.6 77.1 -5.8 101.2 1099 189 N F T <> S+ 0 0 19 1,-0.3 4,-1.7 2,-0.2 5,-0.5 0.739 106.7 70.4 -30.2 -48.5 72.3 -0.9 102.8 1102 192 N P H 34 S+ 0 0 9 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.523 106.8 42.4 -55.7 0.1 76.0 -0.0 102.2 1103 193 N W H <> S+ 0 0 41 -3,-2.6 4,-2.8 3,-0.1 -2,-0.2 0.717 111.6 48.7-112.9 -40.9 74.5 2.5 99.7 1104 194 N L H X S+ 0 0 70 -4,-0.7 4,-2.3 2,-0.2 5,-0.5 0.996 109.9 51.2 -63.8 -62.4 71.6 4.0 101.5 1105 195 N I H X S+ 0 0 2 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.883 111.1 52.2 -39.3 -47.2 73.5 4.6 104.7 1106 196 N A H >> S+ 0 0 28 -5,-0.5 4,-2.5 2,-0.2 3,-0.8 0.981 111.3 45.3 -51.2 -67.9 76.0 6.3 102.4 1107 197 N V H 3X S+ 0 0 68 -4,-2.8 4,-2.6 1,-0.3 3,-0.4 0.908 116.1 44.5 -39.4 -65.8 73.3 8.5 100.8 1108 198 N F H 3X S+ 0 0 57 -4,-2.3 4,-3.5 1,-0.3 -1,-0.3 0.758 108.8 57.1 -57.3 -28.0 71.6 9.5 104.1 1109 199 N M H > S+ 0 0 54 395,-0.1 4,-1.9 396,-0.0 3,-0.8 0.150 73.4 77.5-151.9 -13.0 91.4 20.1 115.6 1145 37 O L T 34 S+ 0 0 70 1,-0.3 -2,-0.1 2,-0.3 -3,-0.0 0.330 91.8 54.0 -86.2 3.3 91.7 18.1 112.3 1146 38 O Y T 34 S+ 0 0 85 2,-0.1 -1,-0.3 389,-0.1 392,-0.1 -0.438 116.4 37.6-133.2 47.5 95.2 17.2 113.4 1147 39 O V T <> S+ 0 0 15 -3,-0.8 4,-3.0 392,-0.1 -2,-0.3 -0.019 102.1 69.8-164.7 -31.2 93.7 15.9 116.7 1148 40 O F H X S+ 0 0 93 -4,-1.9 4,-1.8 2,-0.3 3,-0.4 0.975 102.9 48.2 -59.1 -48.4 90.6 14.5 115.0 1149 41 O P H > S+ 0 0 22 0, 0.0 4,-2.2 0, 0.0 5,-0.4 0.883 107.3 53.3 -57.4 -29.7 93.3 12.2 113.8 1150 42 O V H > S+ 0 0 0 -6,-0.2 4,-1.3 2,-0.2 -2,-0.3 0.868 115.5 41.6 -68.0 -33.1 94.3 12.1 117.4 1151 43 O V H X S+ 0 0 9 -4,-3.0 4,-2.5 -3,-0.4 3,-0.3 0.948 115.0 47.9 -68.6 -84.9 90.6 11.1 117.9 1152 44 O I H < S+ 0 0 78 -4,-1.8 3,-0.2 1,-0.3 -2,-0.2 0.704 116.2 43.1 -17.9 -69.3 90.3 8.7 115.0 1153 45 O M H >X S+ 0 0 20 -4,-2.2 3,-3.3 1,-0.3 4,-1.6 0.965 116.5 46.6 -50.2 -60.9 93.5 6.9 115.8 1154 46 O G H 3X S+ 0 0 7 -4,-1.3 4,-0.6 -5,-0.4 -1,-0.3 0.817 111.6 54.4 -52.4 -28.3 92.8 6.8 119.5 1155 47 O T H 3< S+ 0 0 23 -4,-2.5 -1,-0.3 -3,-0.2 -2,-0.2 0.312 110.7 47.1 -89.5 8.8 89.3 5.7 118.5 1156 48 O F H X> S+ 0 0 52 -3,-3.3 3,-2.0 -5,-0.3 4,-0.6 0.744 92.8 70.6-106.4 -72.4 90.7 2.8 116.5 1157 49 O A H >X S+ 0 0 6 -4,-1.6 4,-3.4 1,-0.3 3,-1.8 0.616 93.2 60.6 -12.1 -57.4 93.3 1.2 118.8 1158 50 O C H 3X S+ 0 0 16 -4,-0.6 4,-5.4 1,-0.3 5,-0.3 0.910 96.2 56.3 -49.3 -53.8 90.6 -0.2 121.0 1159 51 O I H <> S+ 0 0 5 -3,-2.0 4,-1.4 1,-0.2 -1,-0.3 0.691 116.9 41.2 -55.7 -15.5 88.8 -2.3 118.3 1160 52 O V H S+ 0 0 17 -3,-1.8 4,-3.5 -4,-0.6 5,-0.8 0.871 114.3 47.5 -91.6 -60.5 92.3 -3.8 118.0 1161 53 O A H X5S+ 0 0 2 -4,-3.4 4,-2.8 1,-0.2 5,-0.3 0.947 122.8 40.0 -42.9 -53.0 93.1 -4.0 121.7 1162 54 O L H X5S+ 0 0 15 -4,-5.4 4,-4.8 3,-0.2 -1,-0.2 0.966 117.3 45.2 -61.5 -60.5 89.7 -5.5 121.9 1163 55 O S H <5S+ 0 0 0 -4,-1.4 -3,-0.2 -5,-0.3 -2,-0.2 0.933 124.3 35.2 -51.2 -53.3 89.7 -7.7 118.8 1164 56 O V H <5S+ 0 0 3 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 120.8 48.2 -73.3 -34.8 93.2 -9.0 119.5 1165 57 O L H < - 0 0 5 0, 0.0 3,-2.8 0, 0.0 101,-0.2 -0.589 8.4-142.7 -77.2 116.5 70.6 -23.0 120.5 1181 73 O L T 3 S+ 0 0 80 -2,-0.5 100,-0.1 99,-0.3 99,-0.0 0.661 102.1 66.6 -45.4 -16.5 70.0 -22.3 124.2 1182 74 O E T 3 S+ 0 0 89 2,-0.0 -1,-0.3 0, 0.0 -129,-0.0 0.445 72.1 142.5 -89.2 -5.3 72.0 -19.1 123.3 1183 75 O I < + 0 0 36 -3,-2.8 -130,-0.1 -131,-0.0 -129,-0.0 0.672 21.7 89.1 -14.8-156.6 69.4 -17.3 120.9 1184 76 O L - 0 0 45 -131,-0.1 2,-0.1 6,-0.0 -127,-0.1 -0.124 62.4-109.2 81.1 178.9 68.9 -13.5 120.8 1185 77 O P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -127,-0.0 -0.301 56.0 -44.9-123.5-149.9 70.5 -10.6 118.8 1186 78 O E > - 0 0 54 -2,-0.1 3,-4.6 1,-0.1 4,-0.3 -0.590 60.5 -97.1 -92.2 153.3 72.8 -7.8 119.9 1187 79 O W T 3 S+ 0 0 32 1,-0.3 3,-0.3 -2,-0.2 -1,-0.1 0.592 125.1 62.5 -38.3 -12.5 72.4 -5.6 123.0 1188 80 O Y T 3 S+ 0 0 39 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.488 103.2 42.6 -98.3 -9.0 70.8 -3.3 120.5 1189 81 O L S <> S+ 0 0 25 -3,-4.6 4,-0.5 2,-0.1 -1,-0.2 0.011 90.3 93.2-123.7 21.6 68.0 -5.5 119.5 1190 82 O Y H >> S+ 0 0 32 -3,-0.3 4,-4.4 -4,-0.3 3,-0.6 0.959 88.6 39.9 -77.3 -71.2 67.2 -6.6 123.0 1191 83 O P H 3> S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.911 122.2 43.0 -39.2 -65.9 64.6 -4.1 123.9 1192 84 O V H 3> S+ 0 0 30 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.833 122.0 43.7 -49.9 -33.9 63.0 -4.2 120.4 1193 85 O F H X S+ 0 0 11 -4,-4.4 4,-1.8 57,-0.3 3,-0.8 0.895 112.0 48.1 -30.4 -73.9 62.2 -8.3 124.3 1195 87 O I H 3X S+ 0 0 24 -4,-2.3 4,-1.7 1,-0.3 -1,-0.2 0.858 102.6 60.9 -34.2 -64.1 59.1 -6.4 123.2 1196 88 O L H 3< S+ 0 0 44 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.872 125.9 19.4 -33.1 -58.6 58.5 -8.6 120.1 1197 89 O R H << S+ 0 0 87 -4,-1.9 -2,-0.2 -3,-0.8 -3,-0.2 0.975 110.6 77.3 -73.3 -77.4 58.3 -11.5 122.5 1198 90 O S H < S+ 0 0 65 -4,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.419 92.5 55.7 2.0 -57.1 57.5 -9.8 125.8 1199 91 O L S < S- 0 0 38 -4,-1.7 2,-0.2 -5,-0.2 6,-0.1 -0.804 97.7-103.7-101.7 134.8 53.9 -9.2 125.0 1200 92 O P - 0 0 112 0, 0.0 4,-0.1 0, 0.0 5,-0.1 -0.350 67.6 -68.7 -56.3 115.1 51.4 -11.9 123.9 1201 93 O N S > S+ 0 0 133 -2,-0.2 4,-0.6 -4,-0.1 3,-0.1 0.393 76.1 117.1 30.4-156.7 50.9 -11.6 120.1 1202 94 O K H >> S- 0 0 146 2,-0.2 3,-1.4 1,-0.2 4,-0.8 0.237 82.3 -92.4 79.5 152.8 49.2 -8.8 118.1 1203 95 O L H 3> S+ 0 0 71 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.497 119.3 89.2 -72.3 -0.8 50.9 -6.6 115.6 1204 96 O L H 3> S+ 0 0 71 2,-0.2 4,-1.3 1,-0.2 5,-0.5 0.951 83.4 50.0 -58.5 -47.9 51.1 -4.8 118.9 1205 97 O G H X S+ 0 0 23 -4,-0.8 4,-2.1 2,-0.2 3,-2.1 0.975 121.2 42.3 -53.5 -84.2 55.2 -5.4 115.8 1207 99 O L H >X S+ 0 0 104 -4,-2.9 4,-1.3 1,-0.3 3,-0.8 0.828 111.8 53.6 -27.8 -75.2 53.7 -1.9 115.8 1208 100 O L H 3< S+ 0 0 69 -4,-1.3 -1,-0.3 1,-0.3 3,-0.2 0.784 113.1 45.9 -36.0 -39.9 54.8 -1.0 119.3 1209 101 O M H X< S+ 0 0 34 -3,-2.1 3,-2.2 -4,-1.5 -1,-0.3 0.923 110.2 50.5 -72.8 -44.2 58.3 -1.9 118.2 1210 102 O A H S+ 0 0 47 0, 0.0 4,-2.3 0, 0.0 3,-0.5 0.913 131.7 33.7 -88.8 -64.0 61.6 4.4 115.1 1214 106 O L H X S+ 0 0 110 -4,-1.4 4,-1.1 1,-0.3 3,-0.4 0.976 115.7 54.8 -54.3 -65.8 58.5 6.2 113.8 1215 107 O G H 4 S+ 0 0 40 -5,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.787 112.6 48.1 -39.7 -32.3 57.2 7.2 117.2 1216 108 O L H >4 S+ 0 0 71 -3,-0.5 3,-3.3 1,-0.2 -1,-0.3 0.933 95.4 66.0 -77.9 -48.1 60.5 8.9 117.6 1217 109 O I H 3< S+ 0 0 37 -4,-2.3 -1,-0.2 -3,-0.4 4,-0.2 0.700 97.3 63.7 -47.8 -17.6 60.9 10.7 114.3 1218 110 O L T 3X S+ 0 0 77 -4,-1.1 4,-1.7 -3,-0.3 -1,-0.3 0.260 78.1 89.5 -92.9 10.3 57.9 12.7 115.7 1219 111 O V H <> S+ 0 0 35 -3,-3.3 4,-0.9 2,-0.2 -1,-0.2 0.987 79.1 53.2 -72.1 -60.3 59.8 14.1 118.6 1220 112 O P H 4 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.764 111.7 52.4 -46.9 -25.7 61.3 17.4 117.2 1221 113 O F H 4 S+ 0 0 150 -4,-0.2 3,-0.5 2,-0.1 -2,-0.2 0.957 120.1 31.2 -73.6 -52.8 57.7 18.1 116.2 1222 114 O I H < S+ 0 0 122 -4,-1.7 2,-3.7 1,-0.2 -3,-0.2 0.999 119.1 44.9 -68.7 -77.8 56.3 17.5 119.7 1223 115 O E S < S+ 0 0 67 -4,-0.9 2,-0.6 -5,-0.1 -1,-0.2 -0.228 85.9 143.9 -70.4 59.3 59.0 18.5 122.2 1224 116 O N + 0 0 61 -2,-3.7 -1,-0.1 -3,-0.5 -202,-0.0 -0.765 31.2 63.9-112.5 94.6 59.6 21.7 120.2 1225 117 O V + 0 0 95 -2,-0.6 -1,-0.1 2,-0.0 -2,-0.1 0.116 42.7 147.0-158.0 -83.8 60.5 25.0 122.0 1226 118 O N + 0 0 48 4,-0.0 -3,-0.0 1,-0.0 8,-0.0 0.810 22.0 172.6 26.4 116.3 63.7 25.5 124.1 1227 119 O K - 0 0 182 1,-0.3 -2,-0.0 3,-0.0 -1,-0.0 0.213 36.3 -28.9-114.9-134.5 65.4 29.1 124.2 1228 120 O F S S+ 0 0 136 2,-0.1 2,-0.7 3,-0.1 -1,-0.3 0.006 99.1 51.3 -77.6-168.6 68.2 31.0 125.9 1229 121 O Q S S- 0 0 83 1,-0.2 -1,-0.0 2,-0.1 521,-0.0 -0.710 129.7 -15.5 81.8-114.0 69.6 30.4 129.5 1230 122 O N + 0 0 3 -2,-0.7 2,-0.8 516,-0.1 4,-0.2 -0.662 66.1 173.6-122.8 68.4 70.4 26.7 129.8 1231 123 O P + 0 0 8 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.143 62.8 97.1 -65.0 27.5 68.5 25.3 126.7 1232 124 O F S S+ 0 0 38 -2,-0.8 2,-0.3 510,-0.1 513,-0.1 -0.749 89.6 3.6-122.8 75.1 70.3 22.3 128.0 1233 125 O R + 0 0 90 -2,-0.4 5,-0.3 510,-0.0 4,-0.1 -0.825 57.2 166.7 154.5-107.4 67.9 20.4 130.2 1234 126 O R - 0 0 99 -2,-0.3 4,-0.4 -4,-0.2 5,-0.1 0.240 32.8-136.1 72.6 156.0 64.1 21.2 130.7 1235 127 O P S > S+ 0 0 69 0, 0.0 4,-1.4 0, 0.0 5,-0.4 0.897 83.1 75.4-121.9 -37.9 62.4 18.4 132.2 1236 128 O V T 4 S+ 0 0 83 1,-0.3 4,-0.1 2,-0.2 -2,-0.1 0.585 118.7 34.3 -43.6 -9.5 59.0 17.3 131.0 1237 129 O A T > S+ 0 0 5 -4,-0.1 4,-1.6 2,-0.1 -1,-0.3 0.712 116.3 54.7-108.8 -55.3 61.1 15.9 128.2 1238 130 O T H >> S+ 0 0 20 -4,-0.4 4,-2.8 -5,-0.3 3,-2.4 0.933 107.2 48.9 -42.4 -71.9 64.2 14.9 130.3 1239 131 O T H 3< S+ 0 0 77 -4,-1.4 5,-0.3 1,-0.3 -1,-0.2 0.874 110.6 49.3 -36.6 -61.9 62.3 12.8 132.8 1240 132 O I H 3> S+ 0 0 71 -5,-0.4 4,-2.9 1,-0.2 3,-0.3 0.785 117.8 44.7 -53.3 -25.1 60.5 10.8 130.2 1241 133 O F H << S+ 0 0 26 -3,-2.4 2,-5.8 -4,-1.6 4,-0.5 0.958 105.9 55.2 -79.6 -62.4 63.9 10.4 128.7 1242 134 O L T < S+ 0 0 62 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.1 -0.264 125.6 31.0 -67.1 58.0 65.8 9.6 131.9 1243 135 O F T >> S+ 0 0 103 -2,-5.8 3,-3.3 -3,-0.3 4,-2.4 -0.037 103.2 66.5-178.9 -52.9 63.1 7.0 132.0 1244 136 O G T 3< S+ 0 0 39 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.312 115.7 43.4 -70.0 16.6 62.2 6.0 128.4 1245 137 O T T 34 S+ 0 0 37 -4,-0.5 4,-0.5 3,-0.1 -1,-0.3 0.196 103.1 61.0-139.7 1.0 65.7 4.9 128.8 1246 138 O L T <> S+ 0 0 110 -3,-3.3 4,-1.1 -5,-0.2 -2,-0.2 0.665 111.4 42.5 -99.2 -26.6 65.4 3.3 132.3 1247 139 O V T < S+ 0 0 50 -4,-2.4 4,-0.2 2,-0.2 5,-0.2 0.919 107.3 62.3 -78.8 -48.9 62.8 1.0 130.8 1248 140 O T T >4 S+ 0 0 60 -5,-0.4 3,-0.9 1,-0.3 4,-0.2 0.832 108.1 40.8 -43.1 -47.4 65.0 0.5 127.7 1249 141 O I G >4 S+ 0 0 75 -4,-0.5 3,-3.2 1,-0.3 -1,-0.3 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