==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-AUG-98 1BO5 . COMPND 2 MOLECULE: PROTEIN (GLYCEROL KINASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.ORMO,C.E.BYSTROM,S.J.REMINGTON . 996 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 746 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 80 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.8 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 2 2 2 3 3 6 0 4 1 1 0 0 0 0 3 1 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 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 PARALLEL BRIDGES PER LADDER . 4 4 5 3 4 2 6 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 2 0 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 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 O E 0 0 156 0, 0.0 2,-1.6 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 -79.6 23.9 66.3 60.4 2 3 O K + 0 0 75 1,-0.2 71,-0.2 71,-0.1 70,-0.1 -0.512 360.0 146.7 -68.7 96.2 22.0 63.8 62.3 3 4 O K + 0 0 107 -2,-1.6 19,-0.6 69,-1.3 2,-0.4 0.257 44.4 74.8-115.1 13.5 24.9 61.3 62.3 4 5 O Y E -Ab 21 73A 43 68,-1.7 70,-3.6 17,-0.2 71,-1.2 -0.981 50.7-162.7-141.4 142.4 24.4 59.6 65.6 5 6 O I E -Ab 20 75A 0 15,-3.1 15,-4.4 -2,-0.4 2,-0.4 -0.785 19.1-155.8-108.3 145.9 22.3 57.3 67.4 6 7 O V E -Ab 19 76A 0 69,-2.3 71,-2.3 -2,-0.3 2,-0.4 -0.995 1.6-154.3-127.6 132.8 22.4 57.3 71.1 7 8 O A E -Ab 18 77A 0 11,-2.5 11,-1.7 -2,-0.4 2,-0.8 -0.838 3.9-155.3-108.7 136.4 21.5 54.4 73.4 8 9 O L E -Ab 17 78A 3 69,-1.6 71,-3.2 -2,-0.4 2,-0.8 -0.900 12.6-174.8-111.2 113.5 20.3 54.6 76.9 9 10 O D E -Ab 16 79A 14 7,-1.9 7,-1.4 -2,-0.8 2,-1.3 -0.803 4.7-168.6-112.4 94.1 21.0 51.6 78.8 10 11 O Q E -Ab 15 80A 0 69,-2.5 71,-1.3 -2,-0.8 5,-0.2 -0.646 18.8-172.6 -87.7 97.8 19.6 51.6 82.2 11 12 O G - 0 0 12 3,-1.8 70,-0.2 -2,-1.3 -1,-0.0 -0.105 36.2-104.9 -82.2-179.7 21.1 48.8 84.0 12 13 O T S S+ 0 0 10 1,-0.2 3,-0.1 68,-0.1 -1,-0.1 0.858 118.2 20.0 -74.5 -37.1 20.5 47.2 87.2 13 14 O T S S+ 0 0 30 1,-0.3 21,-1.2 20,-0.1 2,-0.3 0.472 132.8 13.7-114.0 -3.4 23.6 48.6 88.9 14 15 O S E - C 0 33A 13 19,-0.2 -3,-1.8 -5,-0.1 -1,-0.3 -0.914 63.1-124.1-170.8 148.3 24.3 51.5 86.6 15 16 O S E -AC 10 32A 0 17,-2.1 17,-2.4 -2,-0.3 2,-0.3 -0.693 33.2-174.3 -94.8 142.5 23.0 53.7 83.9 16 17 O R E -AC 9 31A 32 -7,-1.4 -7,-1.9 -2,-0.3 2,-0.4 -0.905 13.8-155.5-137.4 161.3 25.0 54.0 80.7 17 18 O A E -AC 8 30A 0 13,-2.1 13,-2.0 -2,-0.3 2,-0.4 -0.995 7.0-165.3-146.7 135.4 24.9 55.9 77.5 18 19 O V E -AC 7 29A 0 -11,-1.7 -11,-2.5 -2,-0.4 2,-0.6 -0.976 9.8-149.9-128.1 133.9 26.4 55.2 74.2 19 20 O V E -AC 6 28A 0 9,-2.7 8,-3.8 -2,-0.4 9,-0.9 -0.898 22.4-167.1-103.4 122.8 27.0 57.3 71.2 20 21 O M E -AC 5 26A 0 -15,-4.4 -15,-3.1 -2,-0.6 6,-0.2 -0.911 10.9-151.3-120.3 143.1 26.8 55.6 67.9 21 22 O D E > -A 4 0A 33 4,-1.7 3,-2.6 -2,-0.4 -17,-0.2 -0.411 38.8 -99.3 -96.7 171.8 27.7 56.4 64.4 22 23 O H T 3 S+ 0 0 84 -19,-0.6 -18,-0.1 1,-0.3 -1,-0.1 0.795 125.2 60.2 -61.3 -29.0 26.2 55.2 61.1 23 24 O D T 3 S- 0 0 103 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.376 119.5-117.1 -78.2 8.5 29.0 52.8 60.9 24 25 O A < + 0 0 8 -3,-2.6 2,-0.4 1,-0.2 -2,-0.2 0.884 64.5 153.1 57.8 39.3 27.5 51.5 64.1 25 26 O N - 0 0 71 1,-0.0 -4,-1.7 -4,-0.0 2,-0.6 -0.798 52.1-113.7-100.0 138.5 30.7 52.4 65.8 26 27 O I E +C 20 0A 67 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.562 38.2 172.9 -73.3 122.5 30.9 53.2 69.4 27 28 O I E - 0 0 64 -8,-3.8 2,-0.3 -2,-0.6 -1,-0.2 0.897 58.9 -7.7 -98.4 -40.2 31.9 56.7 69.6 28 29 O S E -C 19 0A 14 -9,-0.9 -9,-2.7 2,-0.0 -1,-0.4 -0.980 57.4-162.0-155.1 156.9 31.5 57.5 73.2 29 30 O V E -C 18 0A 46 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.999 2.5-170.4-143.6 149.8 30.3 56.1 76.5 30 31 O S E -C 17 0A 4 -13,-2.0 -13,-2.1 -2,-0.3 2,-0.3 -0.987 3.7-170.1-141.4 150.7 29.2 57.1 79.9 31 32 O Q E +C 16 0A 88 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.995 8.2 179.1-139.0 147.3 28.4 55.3 83.2 32 33 O R E -C 15 0A 95 -17,-2.4 -17,-2.1 -2,-0.3 2,-0.1 -0.930 19.4-144.8-146.9 116.2 27.0 56.2 86.5 33 34 O E E -C 14 0A 119 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.516 14.5-161.7 -81.5 159.9 26.5 53.8 89.2 34 35 O F - 0 0 10 -21,-1.2 2,-0.2 -2,-0.1 17,-0.0 -0.912 28.9 -82.1-135.6 156.1 23.5 54.0 91.6 35 36 O E - 0 0 122 -2,-0.3 2,-1.1 1,-0.1 12,-0.5 -0.383 26.5-141.9 -69.6 132.5 22.8 52.5 95.0 36 37 O Q - 0 0 38 -2,-0.2 2,-0.4 10,-0.1 10,-0.2 -0.789 23.0-151.0 -95.7 94.4 21.5 49.1 95.4 37 38 O I B -F 45 0B 31 8,-1.2 8,-4.5 -2,-1.1 3,-0.1 -0.550 17.0-177.1 -75.2 127.1 19.0 49.4 98.3 38 39 O Y - 0 0 127 -2,-0.4 6,-0.2 6,-0.2 -1,-0.1 -0.598 4.0-179.9-123.6 72.4 18.5 46.4 100.4 39 40 O P S S- 0 0 61 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.739 74.9 -21.8 -36.7 -33.5 15.8 47.3 102.9 40 41 O K S > S- 0 0 102 3,-0.3 3,-1.9 -3,-0.1 0, 0.0 -0.915 98.3 -52.0 179.5 154.3 16.2 43.8 104.3 41 42 O P T 3 S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 307,-0.0 -0.071 124.4 16.7 -45.6 117.1 17.4 40.5 103.3 42 43 O G T 3 S+ 0 0 15 1,-0.3 63,-2.8 305,-0.2 2,-0.5 0.444 104.7 109.5 97.1 6.6 15.9 39.4 100.0 43 44 O W < - 0 0 48 -3,-1.9 2,-0.5 61,-0.2 -3,-0.3 -0.939 44.0-176.3-119.6 134.4 14.8 42.8 99.2 44 45 O V + 0 0 5 -2,-0.5 57,-1.6 57,-0.2 2,-0.3 -0.975 6.9 171.4-134.9 127.2 16.2 44.9 96.6 45 46 O E E -FG 37 100B 11 -8,-4.5 -8,-1.2 -2,-0.5 2,-0.3 -0.744 13.4-162.7-125.3 176.6 15.3 48.5 95.8 46 47 O H E - G 0 99B 0 53,-1.6 53,-1.9 -2,-0.3 3,-0.1 -0.983 31.4-105.6-149.1 153.5 16.4 51.3 93.7 47 48 O D > - 0 0 57 -12,-0.5 4,-3.8 -2,-0.3 5,-0.3 -0.730 17.1-153.6 -91.1 119.0 15.7 55.0 93.7 48 49 O P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.874 102.2 46.2 -51.1 -32.9 13.4 56.0 90.9 49 50 O M H > S+ 0 0 70 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.897 107.3 52.6 -76.4 -45.1 15.1 59.2 91.1 50 51 O E H > S+ 0 0 59 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.901 111.7 50.1 -59.8 -39.6 18.6 58.0 91.3 51 52 O I H X S+ 0 0 0 -4,-3.8 4,-3.7 1,-0.2 5,-0.4 0.998 112.7 44.2 -59.5 -62.7 17.9 56.0 88.2 52 53 O W H X S+ 0 0 55 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.917 115.8 49.0 -43.6 -52.4 16.5 58.8 86.4 53 54 O A H X S+ 0 0 49 -4,-3.5 4,-2.0 1,-0.2 5,-0.3 0.977 113.0 43.7 -58.2 -57.8 19.2 61.1 87.5 54 55 O T H X S+ 0 0 13 -4,-3.4 4,-1.3 1,-0.2 -1,-0.2 0.856 115.1 52.1 -56.5 -38.6 22.1 58.8 86.6 55 56 O Q H X S+ 0 0 1 -4,-3.7 4,-1.6 -5,-0.3 -1,-0.2 0.845 112.0 44.8 -67.4 -35.3 20.4 58.0 83.3 56 57 O S H X S+ 0 0 36 -4,-2.5 4,-2.2 -5,-0.4 -2,-0.2 0.987 110.7 49.0 -69.4 -61.7 19.9 61.5 82.3 57 58 O S H X S+ 0 0 36 -4,-2.0 4,-3.8 1,-0.2 -1,-0.2 0.754 110.9 52.5 -46.4 -39.9 23.2 63.0 83.2 58 59 O T H X S+ 0 0 0 -4,-1.3 4,-3.1 -5,-0.3 5,-0.4 0.950 103.1 57.0 -67.1 -48.3 25.1 60.3 81.4 59 60 O L H X S+ 0 0 5 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.928 113.9 41.6 -45.4 -47.1 23.1 60.9 78.4 60 61 O V H >X S+ 0 0 74 -4,-2.2 4,-2.8 1,-0.2 3,-0.5 0.974 112.3 53.3 -64.5 -56.0 24.4 64.4 78.7 61 62 O E H 3X S+ 0 0 73 -4,-3.8 4,-2.8 1,-0.2 5,-0.4 0.900 103.2 55.6 -46.6 -54.5 27.9 63.4 79.6 62 63 O V H 3X S+ 0 0 0 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.861 113.8 41.6 -46.9 -48.2 28.5 61.0 76.7 63 64 O L H S+ 0 0 10 -4,-1.1 5,-2.4 -3,-0.5 4,-0.7 0.935 112.9 54.3 -65.6 -47.9 27.7 63.8 74.3 64 65 O A H ><5S+ 0 0 63 -4,-2.8 3,-1.4 1,-0.3 -2,-0.2 0.913 109.8 44.4 -47.6 -60.2 29.5 66.4 76.2 65 66 O K H 3<5S+ 0 0 115 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.824 115.1 49.9 -58.1 -35.5 32.8 64.6 76.3 66 67 O A H 3<5S- 0 0 30 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.496 109.0-123.8 -85.0 -3.3 32.4 63.7 72.7 67 68 O D T <<5 + 0 0 137 -3,-1.4 2,-0.4 -4,-0.7 -3,-0.2 0.931 61.0 145.5 58.8 47.2 31.7 67.2 71.7 68 69 O I < - 0 0 16 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.888 36.8-141.9-114.3 151.7 28.5 66.2 70.1 69 70 O S > - 0 0 44 -2,-0.4 3,-2.1 -3,-0.1 4,-0.4 -0.812 25.0-111.3-116.1 154.5 25.3 68.3 70.0 70 71 O S G > S+ 0 0 7 1,-0.3 3,-3.1 -2,-0.3 2,-0.3 0.898 113.5 64.1 -37.6 -58.1 21.6 67.6 70.3 71 72 O D G 3 S+ 0 0 35 1,-0.3 -1,-0.3 160,-0.1 159,-0.0 0.244 99.3 53.2 -59.6 15.4 21.2 68.5 66.7 72 73 O Q G < S+ 0 0 33 -3,-2.1 -68,-1.7 -2,-0.3 -69,-1.3 0.371 79.7 103.3-127.3 -2.5 23.3 65.6 65.6 73 74 O I E < -b 4 0A 4 -3,-3.1 -68,-0.2 -4,-0.4 3,-0.1 -0.787 51.9-166.8 -86.4 116.1 21.5 62.9 67.3 74 75 O A E - 0 0 12 -70,-3.6 2,-0.3 -2,-0.8 -69,-0.2 0.856 65.0 -37.7 -68.1 -39.1 19.5 61.2 64.8 75 76 O A E -b 5 0A 0 -71,-1.2 -69,-2.3 -3,-0.1 2,-0.5 -0.980 52.3-111.6-177.2 169.0 17.6 59.4 67.6 76 77 O I E -bd 6 238A 1 161,-2.7 163,-1.8 -2,-0.3 164,-0.6 -0.980 19.7-160.3-123.7 129.0 17.6 57.7 71.0 77 78 O G E -bd 7 240A 0 -71,-2.3 -69,-1.6 -2,-0.5 2,-0.4 -0.493 11.7-147.6 -94.1 162.4 17.1 54.1 71.7 78 79 O I E +bd 8 241A 0 162,-0.7 164,-1.8 364,-0.2 2,-0.4 -0.941 20.5 166.2-142.0 121.6 16.1 52.8 75.2 79 80 O T E +bd 9 242A 0 -71,-3.2 -69,-2.5 -2,-0.4 2,-0.3 -0.977 13.5 170.7-127.4 149.8 16.9 49.5 77.0 80 81 O N E -bd 10 243A 0 162,-0.9 164,-2.9 -2,-0.4 2,-0.4 -0.868 41.0 -77.9-148.5 179.6 16.5 48.8 80.5 81 82 O Q - 0 0 0 -71,-1.3 83,-0.6 -2,-0.3 84,-0.2 -0.642 58.2-123.1 -79.7 132.7 16.5 46.3 83.2 82 83 O R S S+ 0 0 3 -2,-0.4 2,-3.7 1,-0.2 20,-0.4 -0.169 74.0 9.6 -77.8 171.0 13.4 44.3 83.0 83 84 O E S S+ 0 0 1 101,-0.2 -1,-0.2 18,-0.1 17,-0.1 -0.073 79.6 129.5 57.0 -40.9 10.6 43.7 85.5 84 85 O T - 0 0 0 -2,-3.7 80,-0.7 1,-0.1 2,-0.3 -0.304 51.0-149.0 -52.7 123.3 11.7 46.2 88.1 85 86 O T E -HI 100 163B 0 15,-1.7 15,-1.8 78,-0.2 2,-0.3 -0.741 19.2-169.3-101.2 147.5 8.6 48.1 88.7 86 87 O I E - I 0 162B 0 76,-2.3 76,-2.2 -2,-0.3 2,-0.5 -0.997 5.8-168.4-143.5 141.6 7.7 51.8 89.6 87 88 O V E +HI 97 161B 0 10,-0.8 9,-4.4 -2,-0.3 10,-0.7 -0.925 19.2 162.2-133.0 116.8 4.7 53.7 90.7 88 89 O W E -HI 95 160B 0 72,-2.0 72,-2.8 -2,-0.5 2,-0.3 -0.853 43.5 -87.4-132.6 171.9 4.4 57.4 90.8 89 90 O E E >> -HI 94 159B 51 5,-3.3 4,-3.0 -2,-0.3 5,-0.5 -0.556 27.8-153.4 -74.5 123.4 2.1 60.3 91.0 90 91 O K T 45S+ 0 0 105 68,-3.7 -1,-0.2 -2,-0.3 69,-0.1 0.892 94.1 52.6 -64.9 -42.5 1.1 61.4 87.6 91 92 O E T 45S+ 0 0 154 67,-0.7 -1,-0.2 1,-0.2 68,-0.1 0.954 129.0 15.3 -56.7 -56.1 0.5 64.9 88.8 92 93 O T T 45S- 0 0 83 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.580 93.4-126.5 -95.7 -19.5 3.9 65.4 90.4 93 94 O G T <5 + 0 0 2 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.1 0.763 60.9 148.5 71.4 24.4 5.8 62.5 88.9 94 95 O K E < - H 0 89B 51 -5,-0.5 -5,-3.3 2,-0.0 -1,-0.3 -0.825 49.4-125.1 -95.6 121.0 6.6 61.6 92.4 95 96 O P E - H 0 88B 24 0, 0.0 -7,-0.3 0, 0.0 3,-0.2 -0.270 7.0-152.5 -59.3 149.6 7.1 58.0 93.0 96 97 O I E S+ 0 0 37 -9,-4.4 2,-0.2 1,-0.4 -8,-0.2 0.510 80.8 11.4 -97.7 -2.7 4.9 56.7 95.7 97 98 O Y E S- H 0 87B 45 -10,-0.7 -10,-0.8 50,-0.0 -1,-0.4 -0.772 87.3 -88.2-178.8 132.4 7.5 54.1 96.3 98 99 O N E - 0 0 41 -2,-0.2 2,-0.3 1,-0.2 -51,-0.2 0.285 57.7 -86.8 -28.3 147.1 10.9 53.0 95.5 99 100 O A E -G 46 0B 0 -53,-1.9 -53,-1.6 -13,-0.1 2,-0.9 -0.489 37.9-143.1 -69.9 129.6 11.6 51.0 92.5 100 101 O I E -GH 45 85B 0 -15,-1.8 -15,-1.7 -2,-0.3 -55,-0.2 -0.855 25.0-134.1 -94.9 106.9 11.2 47.4 93.4 101 102 O V > - 0 0 0 -57,-1.6 3,-1.6 -2,-0.9 -57,-0.2 -0.065 16.9-107.5 -64.1 156.1 13.8 45.6 91.5 102 103 O W T 3 S+ 0 0 7 -20,-0.4 -1,-0.1 1,-0.3 -19,-0.1 0.909 118.4 51.7 -51.1 -44.3 13.4 42.4 89.5 103 104 O Q T 3 S+ 0 0 13 203,-0.1 -1,-0.3 2,-0.0 31,-0.1 0.691 78.6 122.7 -67.5 -17.0 15.3 40.4 92.0 104 105 O C < - 0 0 0 -3,-1.6 3,-0.2 -60,-0.2 -61,-0.2 -0.266 46.6-162.3 -53.0 134.3 13.2 41.6 94.9 105 106 O R > + 0 0 8 -63,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.356 60.2 101.5 -97.4 0.4 11.7 38.6 96.6 106 107 O R T > + 0 0 22 -64,-0.3 3,-1.0 1,-0.3 4,-0.3 0.926 68.3 68.2 -58.0 -39.8 8.9 40.2 98.6 107 108 O T T 3> + 0 0 0 1,-0.3 4,-2.5 -3,-0.2 -1,-0.3 0.408 69.8 105.8 -62.3 12.8 6.1 39.3 96.3 108 109 O A H <> S+ 0 0 9 -3,-1.5 4,-2.7 2,-0.2 -1,-0.3 0.950 71.1 54.2 -60.7 -44.6 6.5 35.7 97.2 109 110 O E H <> S+ 0 0 86 -3,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.938 111.0 46.3 -54.0 -45.9 3.4 35.4 99.4 110 111 O I H > S+ 0 0 26 -4,-0.3 4,-2.7 1,-0.3 3,-0.3 0.959 107.5 55.5 -58.4 -50.9 1.2 36.7 96.8 111 112 O C H X S+ 0 0 8 -4,-2.5 4,-3.3 1,-0.2 -1,-0.3 0.916 103.8 61.2 -47.4 -36.5 2.9 34.4 94.3 112 113 O E H X S+ 0 0 62 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.943 106.2 40.7 -55.0 -55.1 1.8 31.8 96.9 113 114 O H H X S+ 0 0 69 -4,-1.7 4,-2.6 -3,-0.3 5,-0.5 0.995 108.7 59.8 -58.5 -61.5 -1.8 32.5 96.5 114 115 O L H <>S+ 0 0 12 -4,-2.7 5,-1.2 1,-0.2 4,-0.3 0.869 109.6 44.7 -29.2 -57.2 -1.5 32.8 92.9 115 116 O K H ><5S+ 0 0 59 -4,-3.3 3,-2.2 -5,-0.3 -1,-0.2 0.966 112.5 53.0 -49.6 -59.0 -0.2 29.2 93.1 116 117 O R H 3<5S+ 0 0 166 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.804 105.9 49.3 -43.3 -52.7 -3.0 28.4 95.4 117 118 O D T 3<5S- 0 0 88 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.412 116.1-123.9 -75.7 6.4 -5.8 29.7 93.3 118 119 O G T < 5 + 0 0 48 -3,-2.2 4,-0.3 -5,-0.5 -3,-0.2 0.905 61.8 143.7 52.9 66.4 -4.1 27.6 90.6 119 120 O L >< + 0 0 19 -5,-1.2 4,-1.2 1,-0.2 5,-0.4 0.679 26.8 121.6-102.0 -17.7 -3.3 29.9 87.8 120 121 O E H > S+ 0 0 107 1,-0.2 4,-3.2 -6,-0.2 -1,-0.2 0.566 86.2 33.3 -2.1 -71.6 -0.0 28.4 86.8 121 122 O D H > S+ 0 0 93 2,-0.2 4,-5.1 3,-0.2 5,-0.5 0.967 110.8 58.1 -66.3 -61.8 -1.4 27.8 83.4 122 123 O Y H > S+ 0 0 61 -4,-0.3 4,-4.2 1,-0.2 5,-0.3 0.887 116.9 39.2 -30.0 -68.0 -3.6 30.6 82.8 123 124 O I H X>S+ 0 0 0 -4,-1.2 4,-4.1 1,-0.3 5,-1.7 0.918 117.9 45.9 -47.9 -60.6 -0.5 32.7 83.4 124 125 O R H <5S+ 0 0 32 -4,-3.2 -1,-0.3 -5,-0.4 -2,-0.2 0.918 116.8 48.2 -51.9 -40.9 1.8 30.6 81.6 125 126 O S H <5S+ 0 0 56 -4,-5.1 -2,-0.2 -5,-0.2 -1,-0.2 0.954 124.6 27.4 -68.1 -44.8 -0.7 30.4 78.9 126 127 O N H <5S+ 0 0 35 -4,-4.2 67,-2.6 -5,-0.5 68,-0.3 0.852 135.8 26.2 -87.8 -36.4 -1.4 34.0 78.6 127 128 O T T <5S- 0 0 0 -4,-4.1 -3,-0.2 -5,-0.3 -2,-0.1 0.851 88.2-131.1 -94.7 -41.9 1.8 35.6 79.9 128 129 O G S S- 0 0 0 -2,-0.8 3,-2.2 1,-0.1 6,-0.2 -0.982 70.1-127.3-160.1 149.0 7.4 34.5 90.7 133 134 O P T 3 S+ 0 0 0 0, 0.0 -26,-0.2 0, 0.0 6,-0.2 0.683 102.1 84.0 -63.2 -13.2 8.3 37.5 92.6 134 135 O Y T 3 S+ 0 0 0 -31,-0.1 2,-0.3 -29,-0.1 -30,-0.1 0.799 81.5 80.0 -55.7 -36.4 10.6 38.1 89.6 135 136 O F S <> S- 0 0 0 -3,-2.2 4,-1.0 -5,-0.2 3,-0.3 -0.663 80.2-124.4 -97.8 149.7 7.7 39.7 87.8 136 137 O S H > S+ 0 0 0 51,-0.8 4,-1.7 -2,-0.3 5,-0.2 0.710 95.1 67.7 -39.8 -61.2 6.0 43.0 87.8 137 138 O G H > S+ 0 0 0 51,-4.5 4,-2.1 1,-0.2 5,-0.2 0.893 104.1 43.2 -31.1 -75.3 2.4 42.2 88.5 138 139 O T H > S+ 0 0 0 -3,-0.3 4,-2.9 -6,-0.2 5,-0.3 0.916 110.8 59.0 -37.6 -59.9 2.9 41.0 92.0 139 140 O K H X S+ 0 0 0 -4,-1.0 4,-2.4 1,-0.3 -2,-0.2 0.869 106.7 44.6 -34.1 -72.1 5.2 44.0 92.7 140 141 O V H X S+ 0 0 0 -4,-1.7 4,-3.2 2,-0.2 5,-0.4 0.855 110.7 53.8 -38.4 -59.6 2.7 46.7 91.8 141 142 O K H X S+ 0 0 43 -4,-2.1 4,-4.0 1,-0.3 5,-0.4 0.980 107.5 51.8 -48.2 -55.1 -0.0 45.0 93.8 142 143 O W H X S+ 0 0 45 -4,-2.9 4,-4.7 1,-0.3 -1,-0.3 0.919 109.1 50.8 -48.8 -45.9 2.2 45.0 96.7 143 144 O I H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.3 0.943 114.9 40.9 -59.7 -48.7 2.8 48.6 96.3 144 145 O L H < S+ 0 0 5 -4,-3.2 7,-0.4 2,-0.2 -1,-0.2 0.874 116.7 50.2 -62.1 -43.5 -0.8 49.5 96.1 145 146 O D H < S+ 0 0 75 -4,-4.0 -2,-0.2 -5,-0.4 -1,-0.2 0.965 113.2 47.0 -59.4 -49.3 -1.5 47.1 98.8 146 147 O H H < S+ 0 0 110 -4,-4.7 2,-0.4 -5,-0.4 -2,-0.2 0.865 103.2 72.8 -65.9 -32.4 1.2 48.7 100.8 147 148 O V S < S- 0 0 42 -4,-2.7 4,-0.4 -5,-0.2 -50,-0.0 -0.668 79.2-129.2 -92.8 138.6 0.2 52.2 100.2 148 149 O E S S+ 0 0 189 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.881 94.3 9.3 -43.1 -78.3 -2.8 53.8 101.8 149 150 O G S >> S+ 0 0 40 1,-0.2 3,-1.2 2,-0.1 4,-1.1 0.707 94.1 112.9 -83.7 -20.7 -5.0 55.5 99.1 150 151 O S H 3> S+ 0 0 2 1,-0.3 4,-3.9 2,-0.2 5,-0.2 0.663 70.4 53.8 -11.9 -76.8 -3.2 54.1 96.0 151 152 O R H 3> S+ 0 0 27 -7,-0.4 4,-2.2 -4,-0.4 6,-0.3 0.886 113.8 42.5 -37.8 -57.9 -5.8 51.8 94.6 152 153 O E H X>>S+ 0 0 102 -3,-1.2 4,-4.0 1,-0.3 3,-1.5 0.983 116.6 44.4 -53.5 -69.4 -8.3 54.6 94.5 153 154 O R H 3<>S+ 0 0 64 -4,-1.1 5,-3.9 1,-0.3 6,-1.3 0.775 111.5 57.9 -44.7 -31.8 -6.1 57.3 93.2 154 155 O A H 3<5S+ 0 0 0 -4,-3.9 -1,-0.3 -5,-0.4 -2,-0.2 0.921 112.3 38.6 -60.5 -46.7 -4.9 54.6 90.9 155 156 O R H <<5S+ 0 0 109 -4,-2.2 -2,-0.2 -3,-1.5 -3,-0.2 0.840 112.2 53.3 -69.6 -47.2 -8.6 54.2 89.7 156 157 O R T <5S- 0 0 96 -4,-4.0 -1,-0.3 -5,-0.2 -2,-0.2 0.674 117.3-132.5 -62.0 -13.2 -9.0 57.9 89.9 157 158 O G T -I 85 0B 3 -2,-0.3 4,-2.8 -78,-0.2 5,-0.2 -0.338 57.7 -80.7 -92.5 178.0 8.8 49.7 84.0 164 165 O V H > S+ 0 0 0 -80,-0.7 4,-3.1 -83,-0.6 5,-0.3 0.944 128.7 47.9 -52.2 -58.3 12.2 51.3 83.4 165 166 O D H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.904 115.0 50.2 -44.5 -48.9 11.7 52.2 79.7 166 167 O T H > S+ 0 0 0 2,-0.2 4,-3.4 1,-0.2 13,-0.3 0.971 112.8 43.2 -52.9 -62.9 8.4 53.6 80.7 167 168 O W H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.928 115.0 49.4 -48.5 -59.6 9.6 55.8 83.5 168 169 O L H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.3 5,-0.2 0.951 113.0 46.2 -47.4 -59.0 12.6 57.0 81.8 169 170 O I H X S+ 0 0 2 -4,-2.9 4,-1.2 -5,-0.3 -1,-0.3 0.913 109.6 53.4 -54.4 -48.1 10.7 58.0 78.8 170 171 O W H ><>S+ 0 0 24 -4,-3.4 5,-3.5 -5,-0.3 3,-0.7 0.918 110.9 48.0 -51.7 -48.0 8.0 59.6 80.7 171 172 O K H ><5S+ 0 0 45 -4,-3.0 3,-1.4 1,-0.3 -1,-0.3 0.844 106.5 56.2 -59.3 -41.7 10.6 61.7 82.4 172 173 O M H 3<5S+ 0 0 8 -4,-2.7 55,-0.4 1,-0.3 -1,-0.3 0.661 112.1 45.0 -68.1 -16.0 12.3 62.5 79.2 173 174 O T T X<5S- 0 0 0 -4,-1.2 3,-4.0 -3,-0.7 -1,-0.3 -0.055 114.2-108.5-116.8 33.0 9.1 63.9 77.9 174 175 O Q T < 5S- 0 0 130 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.902 79.4 -59.6 42.4 42.8 7.9 65.9 80.9 175 176 O G T 3 -j 217 0C 0 -2,-0.3 4,-3.0 35,-0.2 5,-0.2 -0.506 29.6-100.6-114.0-178.0 7.2 48.3 74.4 182 183 O Y H > S+ 0 0 47 35,-0.9 4,-3.6 2,-0.2 5,-0.2 0.992 119.3 49.1 -65.2 -61.2 6.3 44.7 73.8 183 184 O T H 4 S+ 0 0 0 58,-0.3 106,-0.2 1,-0.2 -1,-0.2 0.943 116.6 47.0 -40.0 -54.5 9.3 43.1 75.1 184 185 O N H >4 S+ 0 0 0 57,-0.2 3,-1.7 1,-0.2 -101,-0.2 0.966 113.4 44.6 -55.7 -57.3 8.9 45.2 78.1 185 186 O A H >X>S+ 0 0 1 -4,-3.0 3,-2.3 1,-0.3 4,-0.5 0.852 99.4 70.8 -55.5 -41.0 5.2 44.6 78.7 186 187 O S T 3<5S+ 0 0 0 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.467 97.0 55.5 -56.3 -3.3 5.5 40.9 78.1 187 188 O R T <45S+ 0 0 0 -3,-1.7 -51,-0.8 -5,-0.2 -1,-0.3 0.339 84.2 77.2-113.6 -1.2 7.2 40.8 81.5 188 189 O T T <45S- 0 0 1 -3,-2.3 -51,-4.5 -53,-0.2 -50,-0.2 0.744 93.9-127.5 -82.0 -27.0 4.8 42.4 83.8 189 190 O M T <5S+ 0 0 2 -4,-0.5 -3,-0.1 2,-0.2 -62,-0.1 0.597 96.5 85.2 81.9 18.7 2.6 39.3 84.0 190 191 O L S > -K 197 0D 12 5,-2.5 4,-2.1 -2,-0.5 5,-0.7 -0.689 12.6-158.1 -79.4 112.3 -1.2 38.8 77.1 193 194 O I T 45S+ 0 0 1 -67,-2.6 -1,-0.1 -2,-0.7 -66,-0.1 0.444 86.4 39.2 -76.8 0.6 1.5 37.7 74.8 194 195 O H T 45S+ 0 0 95 -68,-0.3 -1,-0.2 3,-0.1 -67,-0.1 0.704 122.2 38.7-114.6 -33.8 -0.7 36.3 72.1 195 196 O T T 45S- 0 0 96 -69,-0.2 -2,-0.2 2,-0.2 3,-0.1 0.829 101.7-138.3 -80.1 -39.7 -3.4 38.8 72.1 196 197 O L T <5 + 0 0 48 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.878 63.3 88.6 78.9 45.4 -1.0 41.5 72.6 197 198 O D E - 0 0 12 -9,-1.9 4,-3.2 1,-0.2 5,-0.5 -0.672 18.7-161.2 -89.7 102.7 -4.8 40.8 80.4 200 201 O D H > S+ 0 0 95 -2,-0.9 4,-4.2 1,-0.3 -1,-0.2 0.886 94.7 50.4 -46.3 -52.0 -8.0 41.7 82.1 201 202 O K H > S+ 0 0 109 1,-0.2 4,-3.4 2,-0.2 -1,-0.3 0.947 112.4 50.8 -50.1 -48.4 -8.1 38.6 84.0 202 203 O M H > S+ 0 0 5 1,-0.3 4,-2.5 2,-0.2 5,-0.4 0.969 113.1 41.5 -49.5 -64.0 -4.6 39.5 85.0 203 204 O L H X>S+ 0 0 9 -4,-3.2 4,-1.7 1,-0.3 5,-1.7 0.904 113.3 59.3 -53.7 -36.9 -5.4 42.9 86.1 204 205 O E H <5S+ 0 0 94 -4,-4.2 -1,-0.3 -5,-0.5 3,-0.3 0.945 107.5 40.9 -54.8 -57.7 -8.4 41.5 87.6 205 206 O V H <5S+ 0 0 52 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.819 118.7 44.0 -66.6 -34.6 -6.7 39.1 89.9 206 207 O L H <5S- 0 0 4 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.674 109.6-124.3 -84.1 -14.3 -3.9 41.3 90.9 207 208 O D T <5 + 0 0 71 -4,-1.7 -3,-0.2 -5,-0.4 -2,-0.1 0.991 48.3 163.3 69.9 74.9 -6.3 44.1 91.3 208 209 O I < - 0 0 7 -5,-1.7 4,-0.2 -6,-0.0 -1,-0.2 -0.679 40.5-128.4-134.1 89.7 -4.7 46.7 89.1 209 210 O P > - 0 0 9 0, 0.0 3,-2.7 0, 0.0 4,-0.2 0.000 14.2-143.6 -31.2 111.2 -6.6 49.7 87.8 210 211 O R G > S+ 0 0 90 1,-0.3 3,-2.1 2,-0.2 -55,-0.1 0.797 98.1 80.6 -50.3 -28.3 -6.0 49.6 84.1 211 212 O E G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -51,-0.0 -56,-0.0 0.488 84.7 59.5 -49.5 -17.0 -6.0 53.3 84.7 212 213 O M G < S+ 0 0 0 -3,-2.7 -51,-2.8 -4,-0.2 -1,-0.3 0.622 89.8 88.3 -90.4 -27.2 -2.4 52.8 85.8 213 214 O L < - 0 0 20 -3,-2.1 2,-0.3 -4,-0.2 -51,-0.1 -0.212 64.4-125.1 -83.8 170.6 -0.9 51.4 82.7 214 215 O P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 -35,-0.3 -0.710 33.6 -83.4-113.3 166.2 0.7 52.7 79.6 215 216 O E E -j 179 0C 101 -37,-2.0 -35,-2.0 -2,-0.3 2,-0.7 -0.459 43.3-139.3 -66.9 115.5 0.4 52.5 75.9 216 217 O V E +j 180 0C 26 -2,-0.3 -35,-0.2 -37,-0.2 2,-0.1 -0.727 32.5 172.4 -84.0 117.8 2.2 49.4 74.6 217 218 O R E -j 181 0C 72 -37,-3.1 -35,-0.9 -2,-0.7 2,-0.4 -0.476 34.9 -72.9-118.7-174.8 4.0 50.0 71.4 218 219 O R - 0 0 87 -37,-0.2 3,-0.2 -2,-0.1 78,-0.1 -0.652 40.1-118.6 -88.5 132.8 6.5 48.5 69.0 219 220 O S S S+ 0 0 1 -2,-0.4 22,-2.6 76,-0.4 2,-0.4 0.694 108.1 40.2 -36.9 -28.6 10.1 48.1 70.0 220 221 O S S S+ 0 0 2 75,-0.6 2,-0.3 20,-0.2 -1,-0.2 -0.763 88.3 98.6-135.5 98.8 11.0 50.3 67.1 221 222 O E S S- 0 0 58 -2,-0.4 2,-0.8 -3,-0.2 228,-0.1 -0.930 75.3 -86.0-159.3 170.5 8.8 53.3 66.5 222 223 O V + 0 0 65 -2,-0.3 17,-0.2 1,-0.2 3,-0.1 -0.778 41.8 167.7 -94.6 112.6 8.7 56.9 67.3 223 224 O Y - 0 0 11 15,-2.9 2,-0.3 -2,-0.8 -1,-0.2 0.769 58.0 -68.9 -95.0 -23.1 7.3 57.4 70.6 224 225 O G E -E 238 0A 15 14,-0.9 14,-2.2 -47,-0.0 2,-0.3 -0.967 48.7 -89.5 168.8-154.9 8.2 61.1 71.0 225 226 O Q E -E 237 0A 82 -2,-0.3 2,-0.4 12,-0.3 -150,-0.0 -0.993 21.4-141.0-155.9 158.4 11.0 63.5 71.5 226 227 O T E -E 236 0A 7 10,-2.4 10,-3.1 -2,-0.3 2,-0.6 -0.967 8.4-139.2-132.0 145.5 13.0 65.1 74.2 227 228 O N + 0 0 77 -55,-0.4 8,-0.1 -2,-0.4 3,-0.1 -0.862 27.7 160.6-103.7 110.3 14.6 68.6 74.9 228 229 O I - 0 0 57 -2,-0.6 2,-0.1 1,-0.5 -1,-0.1 0.222 50.9-110.5-114.7 18.1 18.0 68.5 76.4 229 230 O G + 0 0 34 5,-0.3 -1,-0.5 2,-0.1 2,-0.3 -0.426 64.6 117.9 88.7-166.0 19.1 71.9 75.6 230 231 O G S S+ 0 0 66 -2,-0.1 2,-0.3 -3,-0.1 3,-0.1 -0.694 80.7 8.8 99.3-152.6 21.8 73.0 73.1 231 232 O K S S- 0 0 64 -2,-0.3 3,-0.3 1,-0.1 -2,-0.1 -0.468 102.9 -93.4 -62.8 124.7 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53.3 113.3 625 127 Z N H <<5S+ 0 0 31 -4,-2.5 67,-2.8 -3,-0.7 68,-0.4 0.831 135.4 31.7-100.9 -33.6 95.6 50.6 115.8 626 128 Z T H <5S- 0 0 1 -4,-3.9 -3,-0.2 -5,-0.4 -2,-0.2 0.741 89.7-134.3 -89.2 -35.9 92.0 49.4 115.4 627 129 Z G << + 0 0 2 -5,-1.2 159,-2.2 -4,-0.8 -4,-0.2 0.472 65.8 131.6 88.4 2.8 91.7 50.1 111.8 628 130 Z L - 0 0 0 -6,-0.5 -1,-0.4 157,-0.2 -2,-0.2 -0.512 54.7-136.1 -95.2 159.7 88.4 51.6 112.9 629 131 Z V - 0 0 21 -2,-0.2 2,-1.0 -3,-0.1 5,-0.2 -0.467 42.8 -87.2 -99.8 167.6 86.6 54.8 112.2 630 132 Z I S S+ 0 0 27 -2,-0.2 -11,-0.0 3,-0.1 3,-0.0 -0.706 70.7 137.9 -89.0 109.5 84.9 56.8 114.9 631 133 Z D > - 0 0 1 -2,-1.0 3,-1.0 1,-0.1 6,-0.2 -0.995 69.6-128.2-156.3 152.8 81.5 55.5 115.3 632 134 Z P T 3 S+ 0 0 1 0, 0.0 -26,-0.2 0, 0.0 6,-0.2 0.719 103.8 82.9 -63.0 -17.0 78.7 54.5 117.5 633 135 Z Y T 3 S+ 0 0 0 -29,-0.1 2,-0.1 -31,-0.1 -30,-0.1 0.938 79.6 77.4 -52.0 -52.3 78.9 51.4 115.3 634 136 Z F S <> S- 0 0 0 -3,-1.0 4,-0.9 -5,-0.2 3,-0.2 -0.369 83.6-119.4 -80.4 151.7 81.7 50.0 117.4 635 137 Z S H > S+ 0 0 0 51,-1.1 4,-2.3 1,-0.2 52,-0.2 0.638 94.6 69.3 -43.4 -51.2 81.7 48.3 120.7 636 138 Z G H > S+ 0 0 0 51,-2.7 4,-2.0 2,-0.2 5,-0.3 0.943 100.4 44.0 -40.7 -78.7 83.8 50.5 122.9 637 139 Z T H > S+ 0 0 0 1,-0.2 4,-3.4 -6,-0.2 5,-0.2 0.880 112.5 58.4 -32.4 -53.6 81.6 53.5 123.2 638 140 Z K H X S+ 0 0 0 -4,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.944 106.0 45.8 -43.2 -67.8 78.8 51.0 123.8 639 141 Z V H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.894 115.0 46.2 -41.7 -59.7 80.5 49.4 126.8 640 142 Z K H X S+ 0 0 44 -4,-2.0 4,-4.0 1,-0.2 5,-0.5 0.962 106.9 59.2 -54.2 -50.1 81.4 52.6 128.5 641 143 Z W H X S+ 0 0 42 -4,-3.4 4,-3.1 -5,-0.3 -1,-0.2 0.935 109.6 43.7 -48.3 -47.5 78.0 54.0 127.9 642 144 Z I H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.993 116.0 46.7 -59.1 -57.3 76.6 51.1 129.9 643 145 Z L H >< S+ 0 0 2 -4,-2.8 3,-0.8 1,-0.3 7,-0.3 0.948 114.7 47.2 -41.4 -64.8 79.2 51.5 132.5 644 146 Z D H 3< S+ 0 0 77 -4,-4.0 -1,-0.3 1,-0.3 -2,-0.2 0.892 114.6 48.1 -45.8 -49.0 78.7 55.1 132.6 645 147 Z H H 3< S+ 0 0 110 -4,-3.1 2,-0.7 -5,-0.5 -1,-0.3 0.733 102.4 68.3 -76.0 -16.9 74.9 54.6 132.7 646 148 Z V S X< S- 0 0 26 -4,-2.6 3,-1.1 -3,-0.8 4,-0.3 -0.821 82.6-128.6-115.8 112.9 74.9 52.0 135.4 647 149 Z E T 3 S+ 0 0 187 -2,-0.7 3,-0.3 1,-0.2 -1,-0.2 0.562 91.9 12.6 -0.6-102.5 75.8 53.0 139.0 648 150 Z G T >> S+ 0 0 37 1,-0.2 4,-1.6 2,-0.1 3,-0.6 0.564 93.7 114.9 -73.0 -13.6 78.4 50.8 140.6 649 151 Z S H <> + 0 0 4 -3,-1.1 4,-3.0 1,-0.2 8,-0.2 0.738 68.8 51.0 -19.0 -77.6 79.3 49.2 137.3 650 152 Z R H 3> S+ 0 0 33 -3,-0.3 4,-3.4 -4,-0.3 5,-0.3 0.879 112.5 46.8 -38.6 -60.1 82.9 50.3 136.9 651 153 Z E H X>>S+ 0 0 75 -3,-0.6 4,-4.4 1,-0.3 3,-0.7 0.977 113.4 45.4 -49.4 -70.1 83.9 49.3 140.3 652 154 Z R H 3<>S+ 0 0 66 -4,-1.6 5,-3.9 1,-0.3 6,-0.9 0.811 112.4 56.0 -42.0 -33.9 82.3 45.9 140.1 653 155 Z A H ><5S+ 0 0 0 -4,-3.0 3,-0.6 -5,-0.3 -1,-0.3 0.951 110.7 41.6 -62.2 -50.2 83.9 45.8 136.7 654 156 Z R H <<5S+ 0 0 116 -4,-3.4 -2,-0.3 -3,-0.7 -1,-0.2 0.834 113.2 51.9 -63.3 -37.1 87.3 46.5 138.4 655 157 Z R T 3<5S- 0 0 180 -4,-4.4 -1,-0.3 -5,-0.3 -2,-0.3 0.673 116.4-133.2 -72.3 -9.1 86.2 44.1 141.0 656 158 Z G T < -B 584 0I 3 -2,-0.3 4,-3.3 -78,-0.2 5,-0.4 -0.474 55.3 -79.6-101.4 175.8 80.1 40.3 122.1 663 165 Z V H > S+ 0 0 0 -80,-0.8 4,-3.7 -83,-0.5 5,-0.3 0.903 130.4 41.5 -41.6 -62.0 77.7 37.9 120.7 664 166 Z D H > S+ 0 0 0 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.940 115.2 53.3 -46.4 -55.5 80.0 35.0 120.3 665 167 Z T H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 13,-0.4 0.898 114.7 40.7 -45.5 -53.9 81.5 35.8 123.6 666 168 Z W H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 5,-0.3 0.927 113.7 52.5 -60.8 -55.9 78.1 35.7 125.3 667 169 Z L H X S+ 0 0 0 -4,-3.7 4,-2.0 -5,-0.4 -2,-0.2 0.902 111.7 46.8 -51.4 -45.4 76.8 32.8 123.4 668 170 Z I H X S+ 0 0 2 -4,-3.6 4,-1.5 -5,-0.3 7,-0.2 0.948 107.9 51.7 -68.3 -53.1 79.7 30.7 124.4 669 171 Z W H ><>S+ 0 0 19 -4,-2.3 3,-2.5 -5,-0.3 5,-1.5 0.977 112.1 49.4 -40.0 -66.0 79.9 31.5 128.0 670 172 Z K H ><5S+ 0 0 52 -4,-2.1 3,-1.4 1,-0.3 -1,-0.3 0.853 108.5 52.4 -38.6 -48.6 76.3 30.6 128.2 671 173 Z M H 3<5S+ 0 0 6 -4,-2.0 55,-0.4 1,-0.3 -1,-0.3 0.656 116.6 40.3 -67.2 -19.3 77.0 27.4 126.3 672 174 Z T T X<5S- 0 0 4 -3,-2.5 3,-1.1 -4,-1.5 -1,-0.3 0.085 118.0-110.5-115.2 16.3 79.7 26.5 128.8 673 175 Z Q T < 5S- 0 0 137 -3,-1.4 -3,-0.3 1,-0.3 -4,-0.1 0.956 76.6 -52.0 51.9 53.8 77.8 27.8 131.7 674 176 Z G T 3 -c 716 0J 0 35,-0.3 4,-2.4 -2,-0.3 5,-0.2 -0.578 33.0 -99.9-108.2 178.4 88.1 35.5 118.5 681 183 Z Y H > S+ 0 0 51 35,-1.5 4,-2.7 1,-0.2 5,-0.2 0.949 118.6 54.3 -62.7 -56.8 90.1 38.0 116.6 682 184 Z T H 4 S+ 0 0 0 58,-0.3 -1,-0.2 2,-0.2 106,-0.2 0.918 114.5 45.3 -46.4 -43.3 87.6 38.9 114.0 683 185 Z N H >4 S+ 0 0 1 1,-0.2 3,-3.1 57,-0.2 4,-0.3 0.998 110.7 48.7 -63.7 -65.2 85.3 39.6 116.8 684 186 Z A H ><>S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.3 5,-0.6 0.746 97.3 72.4 -41.5 -35.3 87.6 41.6 119.0 685 187 Z S T 3<5S+ 0 0 0 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.594 94.3 56.7 -61.6 -9.2 88.8 43.7 116.1 686 188 Z R T < 5S+ 0 0 1 -3,-3.1 -51,-1.1 -5,-0.2 -1,-0.3 0.480 85.7 76.0-104.1 -2.0 85.4 45.4 116.2 687 189 Z T T < 5S- 0 0 2 -3,-1.7 -51,-2.7 -4,-0.3 -2,-0.1 0.738 91.8-131.7 -76.9 -26.6 85.4 46.6 119.7 688 190 Z M T 5S+ 0 0 0 -4,-0.5 -3,-0.1 2,-0.2 -62,-0.1 0.796 93.6 85.7 72.0 28.1 87.8 49.5 119.0 689 191 Z L S > -D 696 0K 11 5,-3.5 4,-2.5 -2,-0.4 5,-0.8 -0.742 11.7-159.9 -87.8 113.2 95.0 46.3 118.5 692 194 Z I T 45S+ 0 0 1 -67,-2.8 -1,-0.1 -2,-0.7 -66,-0.1 0.496 89.7 37.1 -71.4 -3.6 94.9 44.8 115.1 693 195 Z H T 45S+ 0 0 92 -68,-0.4 -1,-0.2 3,-0.2 -68,-0.1 0.780 122.1 38.2-107.6 -53.6 98.6 44.8 114.8 694 196 Z T T 45S- 0 0 98 2,-0.2 -2,-0.2 -69,-0.1 3,-0.1 0.831 103.1-133.2 -61.6 -38.2 99.8 43.9 118.1 695 197 Z L T <5 + 0 0 49 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.926 65.6 83.9 76.7 51.4 97.0 41.6 118.4 696 198 Z D E > - 0 0 10 -9,-3.3 4,-1.8 1,-0.2 3,-0.7 -0.626 17.8-156.6 -81.4 102.6 94.8 48.4 123.2 699 201 Z D H >> S+ 0 0 91 -2,-1.2 4,-3.0 1,-0.3 3,-0.6 0.879 91.1 50.9 -43.8 -59.5 95.7 49.9 126.4 700 202 Z K H 3> S+ 0 0 60 1,-0.3 4,-3.5 2,-0.2 -1,-0.3 0.922 109.1 57.5 -46.3 -43.1 95.3 53.5 125.4 701 203 Z M H <> S+ 0 0 1 -3,-0.7 4,-2.4 1,-0.2 -1,-0.3 0.923 109.9 39.4 -52.8 -52.4 91.9 52.4 124.2 702 204 Z L H S+ 0 0 13 -4,-1.8 5,-2.2 -3,-0.6 4,-1.6 0.854 115.6 53.8 -69.2 -30.9 90.8 51.1 127.5 703 205 Z E H <5S+ 0 0 156 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.901 110.8 47.1 -64.7 -42.4 92.4 53.9 129.2 704 206 Z V H <5S+ 0 0 46 -4,-3.5 -2,-0.2 -5,-0.4 -1,-0.2 0.896 119.9 35.6 -69.0 -41.8 90.6 56.2 127.1 705 207 Z L H <5S- 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.517 106.6-121.6 -91.6 -8.9 87.2 54.6 127.4 706 208 Z D T <5 + 0 0 74 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.998 52.9 158.7 66.8 65.8 87.6 53.6 130.9 707 209 Z I < - 0 0 5 -5,-2.2 -1,-0.2 -64,-0.0 5,-0.1 -0.675 40.8-130.0-133.5 88.2 87.1 50.0 130.5 708 210 Z P > - 0 0 12 0, 0.0 3,-3.4 0, 0.0 4,-0.4 0.023 11.1-139.1 -29.8 108.7 88.5 47.7 133.1 709 211 Z R G > S+ 0 0 112 1,-0.3 3,-1.7 2,-0.2 -55,-0.1 0.754 97.1 80.6 -45.7 -23.0 90.6 45.0 131.4 710 212 Z E G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -51,-0.0 -56,-0.1 0.801 86.4 51.1 -52.3 -39.1 88.9 42.9 134.0 711 213 Z M G < S+ 0 0 0 -3,-3.4 -51,-3.0 -52,-0.1 -1,-0.3 0.611 93.4 97.6 -85.1 -6.8 85.8 42.6 132.1 712 214 Z L < - 0 0 16 -3,-1.7 2,-0.2 -4,-0.4 -51,-0.1 -0.316 64.2-129.7 -81.5 167.0 87.4 41.5 128.9 713 215 Z P - 0 0 7 0, 0.0 -35,-0.2 0, 0.0 2,-0.2 -0.683 28.4 -86.5-113.0 165.7 87.9 38.0 127.5 714 216 Z E E -c 678 0J 102 -37,-1.8 -35,-2.4 -2,-0.2 2,-0.4 -0.462 43.4-142.6 -70.7 127.0 90.5 35.9 126.2 715 217 Z V E +c 679 0J 30 -37,-0.2 -35,-0.3 -2,-0.2 2,-0.3 -0.775 29.0 170.3 -87.9 139.8 90.9 36.5 122.5 716 218 Z R E -c 680 0J 65 -37,-2.5 -35,-1.5 -2,-0.4 2,-0.3 -0.826 35.0 -70.9-140.7-176.2 91.6 33.5 120.4 717 219 Z R > - 0 0 82 -2,-0.3 3,-0.5 -37,-0.2 78,-0.1 -0.609 39.5-116.7 -89.4 147.6 91.8 32.3 116.9 718 220 Z S T 3 S+ 0 0 2 -2,-0.3 22,-3.3 76,-0.3 2,-0.3 0.669 106.8 40.0 -45.7 -28.6 88.8 31.9 114.7 719 221 Z S T 3 S+ 0 0 3 75,-0.6 2,-0.3 20,-0.2 -1,-0.3 -0.588 87.6 100.4-134.1 80.6 89.4 28.2 114.3 720 222 Z E S < S- 0 0 60 -3,-0.5 2,-0.9 -2,-0.3 228,-0.1 -0.940 76.4 -88.5-146.9 162.1 90.4 26.5 117.5 721 223 Z V + 0 0 67 -2,-0.3 17,-0.3 227,-0.2 3,-0.1 -0.668 39.6 171.9 -81.9 113.9 88.8 24.5 120.2 722 224 Z Y - 0 0 10 15,-3.7 2,-0.3 -2,-0.9 -1,-0.2 0.778 55.3 -77.7 -90.5 -21.1 87.4 26.7 122.8 723 225 Z G E -X 737 0H 15 14,-1.2 14,-3.7 -47,-0.0 -1,-0.3 -0.996 47.9 -80.3 156.5-165.1 85.6 24.1 124.8 724 226 Z Q E -X 736 0H 104 -2,-0.3 2,-0.3 12,-0.3 10,-0.0 -0.858 21.1-142.4-137.3 172.1 82.4 22.0 124.8 725 227 Z T E -X 735 0H 7 10,-1.4 10,-2.4 -2,-0.3 2,-0.7 -0.990 12.6-134.7-139.3 142.8 78.8 22.1 125.7 726 228 Z N + 0 0 79 -55,-0.4 8,-0.1 -2,-0.3 3,-0.1 -0.848 29.2 163.2 -97.5 108.7 76.3 19.6 127.3 727 229 Z I - 0 0 55 -2,-0.7 2,-0.1 1,-0.5 -1,-0.1 0.179 50.3-107.6-113.3 22.2 73.0 19.5 125.4 728 230 Z G + 0 0 34 5,-0.3 -1,-0.5 2,-0.1 2,-0.4 -0.437 69.7 107.4 87.4-171.3 71.5 16.4 126.7 729 231 Z G S S+ 0 0 69 -2,-0.1 2,-0.4 -3,-0.1 3,-0.1 -0.805 77.7 20.5 104.5-137.6 71.2 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