==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 26-APR-13 4KEY . COMPND 2 MOLECULE: BIFUNCTIONAL P-450/NADPH-P450 REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR D.LEYS . 892 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 621 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 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 . 45 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 370 41.5 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+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 4 1 1 4 0 0 4 0 2 2 4 1 3 0 4 0 0 0 0 2 0 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 2 5 3 3 1 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 . 8 0 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 3 A K 0 0 162 0, 0.0 2,-0.4 0, 0.0 339,-0.0 0.000 360.0 360.0 360.0 155.6 10.0 28.5 -19.5 2 4 A E - 0 0 167 339,-0.1 339,-0.1 1,-0.0 0, 0.0 -0.694 360.0-121.4 -86.8 134.9 9.9 31.4 -17.0 3 5 A M - 0 0 23 -2,-0.4 35,-0.1 1,-0.1 -1,-0.0 -0.539 22.5-113.8 -88.3 143.1 9.1 30.5 -13.5 4 6 A P - 0 0 43 0, 0.0 35,-2.5 0, 0.0 -1,-0.1 -0.150 29.7-167.8 -59.7 161.9 6.1 31.9 -11.6 5 7 A Q - 0 0 58 33,-0.2 35,-0.1 35,-0.0 3,-0.1 -0.970 18.5-116.6-155.0 141.3 6.5 34.1 -8.6 6 8 A P - 0 0 13 0, 0.0 11,-0.0 0, 0.0 24,-0.0 -0.206 56.7 -56.0 -77.3 175.5 4.1 35.3 -5.9 7 9 A K - 0 0 152 1,-0.1 2,-0.2 7,-0.1 10,-0.2 -0.127 58.4-141.5 -56.9 144.0 3.2 38.9 -5.3 8 10 A T - 0 0 84 -3,-0.1 6,-0.2 8,-0.1 2,-0.2 -0.600 12.7-145.7-112.0 161.8 6.0 41.3 -4.6 9 11 A F > - 0 0 89 4,-1.8 3,-2.3 1,-0.4 4,-0.2 -0.594 49.5-103.7-127.0 58.9 6.5 44.3 -2.2 10 12 A G G > S+ 0 0 61 1,-0.3 3,-1.4 2,-0.2 -1,-0.4 -0.262 101.3 1.5 54.6-123.2 8.7 46.6 -4.3 11 13 A E G 3 S+ 0 0 171 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.621 129.7 62.3 -69.5 -20.1 12.3 46.4 -3.0 12 14 A L G X S- 0 0 72 -3,-2.3 3,-2.1 1,-0.3 -1,-0.3 0.491 85.9-169.6 -81.8 -5.1 11.5 43.8 -0.3 13 15 A K T < - 0 0 76 -3,-1.4 -4,-1.8 1,-0.3 -1,-0.3 -0.301 64.3 -20.5 55.5-121.0 10.5 41.5 -3.2 14 16 A N T > S+ 0 0 0 27,-2.6 3,-2.8 -6,-0.2 4,-0.3 0.532 109.3 102.6 -95.8 -5.4 8.8 38.5 -1.6 15 17 A L G X S+ 0 0 9 -3,-2.1 3,-2.4 26,-0.5 4,-0.3 0.838 70.9 63.3 -52.0 -42.1 10.1 38.8 1.9 16 18 A P G > S+ 0 0 35 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.728 87.4 73.6 -61.6 -15.2 7.0 40.2 3.4 17 19 A L G < S+ 0 0 31 -3,-2.8 -2,-0.2 1,-0.2 9,-0.1 0.702 92.7 56.8 -62.5 -20.3 5.2 36.9 2.5 18 20 A L G < S+ 0 0 15 -3,-2.4 2,-2.3 -4,-0.3 -1,-0.2 0.476 75.5 104.2 -90.2 -2.0 7.2 35.3 5.5 19 21 A N < + 0 0 112 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.1 -0.397 63.5 91.9 -79.5 70.8 5.8 37.8 8.0 20 22 A T S S- 0 0 51 -2,-2.3 167,-0.1 164,-0.0 -3,-0.0 -0.955 82.5-121.6-154.0 157.7 3.4 35.3 9.5 21 23 A D S S+ 0 0 124 -2,-0.3 410,-0.5 1,-0.2 -2,-0.1 0.579 111.5 49.5 -77.1 -12.6 3.4 32.8 12.3 22 24 A K > + 0 0 72 1,-0.1 4,-2.1 408,-0.1 -1,-0.2 -0.528 62.6 156.8-128.5 66.1 2.7 30.1 9.8 23 25 A P H > S+ 0 0 9 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.867 75.0 50.6 -63.1 -37.3 5.2 30.4 6.9 24 26 A V H > S+ 0 0 17 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.920 110.8 49.4 -67.3 -45.7 5.1 26.8 5.6 25 27 A Q H > S+ 0 0 49 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 111.6 49.5 -61.5 -35.9 1.3 27.0 5.5 26 28 A A H X S+ 0 0 33 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.920 109.0 52.4 -67.7 -41.2 1.5 30.2 3.5 27 29 A L H X S+ 0 0 10 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.832 105.9 54.8 -62.4 -29.6 4.0 28.7 1.2 28 30 A M H X S+ 0 0 15 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.889 106.4 51.1 -71.5 -37.5 1.6 25.8 0.5 29 31 A K H X S+ 0 0 151 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.883 109.7 50.7 -67.9 -35.8 -1.1 28.2 -0.4 30 32 A I H X S+ 0 0 20 -4,-2.1 4,-2.8 1,-0.2 3,-0.4 0.969 109.7 49.3 -60.5 -50.5 1.4 29.9 -2.8 31 33 A A H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.863 107.0 55.4 -58.8 -40.6 2.2 26.6 -4.4 32 34 A D H < S+ 0 0 118 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.913 116.3 39.7 -57.0 -36.6 -1.6 25.7 -4.7 33 35 A E H < S+ 0 0 145 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.835 126.9 31.0 -77.7 -42.9 -1.9 29.0 -6.7 34 36 A L H < S- 0 0 55 -4,-2.8 3,-0.3 1,-0.3 2,-0.2 0.669 98.4-139.7-103.3 -16.1 1.3 28.8 -8.7 35 37 A G < - 0 0 34 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.588 54.3 -9.9 97.0-149.7 2.0 25.1 -9.2 36 38 A E S S+ 0 0 50 -2,-0.2 15,-2.2 1,-0.1 16,-0.7 0.626 123.0 19.7 -75.3 -17.0 5.0 22.9 -9.2 37 39 A I E +A 50 0A 3 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.977 60.2 166.9-154.3 136.2 7.7 25.5 -9.0 38 40 A F E -A 49 0A 0 11,-1.6 11,-2.8 -2,-0.3 2,-0.3 -0.989 30.0-122.3-144.4 153.4 8.0 29.1 -8.1 39 41 A K E -A 48 0A 33 -35,-2.5 2,-0.4 -2,-0.3 9,-0.2 -0.680 19.9-163.2 -89.0 142.7 10.8 31.6 -7.4 40 42 A F E -A 47 0A 5 7,-3.0 7,-2.0 -2,-0.3 2,-0.3 -0.985 10.3-165.4-131.3 120.9 10.9 33.3 -4.1 41 43 A E E +A 46 0A 44 -2,-0.4 -27,-2.6 5,-0.2 -26,-0.5 -0.823 14.2 172.5-114.6 142.3 13.0 36.4 -3.8 42 44 A A E > -A 45 0A 4 3,-2.7 3,-2.2 -2,-0.3 -29,-0.1 -0.876 58.3 -66.6-129.2 162.5 14.3 38.4 -0.8 43 45 A P T 3 S- 0 0 67 0, 0.0 -31,-0.1 0, 0.0 3,-0.0 -0.434 125.5 -2.1 -51.0 120.4 16.8 41.3 -0.9 44 46 A G T 3 S+ 0 0 83 -2,-0.1 2,-0.3 1,-0.1 -3,-0.0 0.479 123.2 83.8 74.7 11.4 20.1 39.6 -2.0 45 47 A R E < -A 42 0A 67 -3,-2.2 -3,-2.7 2,-0.0 2,-0.3 -0.999 47.6-174.8-150.1 144.4 18.6 36.1 -2.2 46 48 A V E +A 41 0A 53 -2,-0.3 302,-0.4 -5,-0.2 2,-0.3 -0.981 8.6 171.6-133.9 142.4 16.7 33.7 -4.5 47 49 A T E -A 40 0A 4 -7,-2.0 -7,-3.0 -2,-0.3 2,-0.5 -0.969 22.8-137.1-146.4 156.8 15.3 30.3 -3.9 48 50 A R E -Ab 39 349A 25 300,-0.9 302,-3.1 -2,-0.3 2,-0.5 -0.986 13.8-144.3-119.7 127.2 13.0 28.0 -5.9 49 51 A Y E -Ab 38 350A 27 -11,-2.8 -11,-1.6 -2,-0.5 2,-0.4 -0.788 13.2-160.4 -96.1 122.3 10.2 26.1 -4.3 50 52 A L E +Ab 37 351A 0 300,-2.9 302,-2.6 -2,-0.5 306,-0.2 -0.890 22.8 159.9-107.0 135.3 9.4 22.6 -5.6 51 53 A S + 0 0 10 -15,-2.2 2,-0.4 -2,-0.4 307,-0.2 0.402 48.0 84.3-133.6 -7.7 6.1 20.9 -5.1 52 54 A S > - 0 0 10 -16,-0.7 4,-2.4 1,-0.1 3,-0.4 -0.853 68.5-135.7-105.3 147.8 5.8 18.2 -7.7 53 55 A Q H > S+ 0 0 17 -2,-0.4 4,-2.6 303,-0.2 5,-0.2 0.863 104.1 66.3 -59.3 -38.9 7.2 14.7 -7.7 54 56 A R H > S+ 0 0 87 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.894 113.5 29.3 -48.9 -47.6 8.2 15.2 -11.3 55 57 A L H > S+ 0 0 0 -3,-0.4 4,-2.2 2,-0.2 3,-0.3 0.837 116.3 58.0 -86.2 -35.2 10.7 17.9 -10.3 56 58 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.860 98.4 60.7 -68.5 -30.8 11.6 16.7 -6.9 57 59 A K H < S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.866 107.8 46.1 -63.0 -34.3 12.7 13.3 -8.3 58 60 A E H >< S+ 0 0 24 -4,-0.5 3,-2.0 -3,-0.3 -2,-0.2 0.903 108.7 54.3 -66.5 -45.7 15.3 15.3 -10.3 59 61 A A H 3< S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.761 101.8 60.8 -60.5 -29.5 16.3 17.3 -7.2 60 62 A C T 3< S+ 0 0 6 -4,-1.6 2,-0.9 -5,-0.2 -1,-0.3 0.394 74.0 111.1 -80.5 6.9 16.9 14.1 -5.4 61 63 A D X> - 0 0 20 -3,-2.0 4,-2.0 1,-0.2 3,-1.7 -0.702 55.4-162.0 -80.7 105.7 19.6 13.0 -7.9 62 64 A E T 34 S+ 0 0 56 -2,-0.9 -1,-0.2 1,-0.3 -3,-0.0 0.609 86.0 67.1 -75.4 -8.6 22.7 13.3 -5.7 63 65 A S T 34 S+ 0 0 64 688,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.743 117.0 26.8 -76.4 -17.5 24.9 13.3 -8.9 64 66 A R T <4 S+ 0 0 40 -3,-1.7 268,-2.9 1,-0.2 269,-0.6 0.695 125.8 32.8-112.1 -26.3 23.3 16.7 -9.6 65 67 A F E < -C 331 0A 3 -4,-2.0 2,-0.3 266,-0.2 -1,-0.2 -0.985 57.9-165.0-136.8 141.9 22.3 18.3 -6.2 66 68 A D E -C 330 0A 18 264,-1.9 264,-2.2 -2,-0.3 2,-0.1 -0.829 43.5 -75.8-118.4 162.1 23.7 18.1 -2.7 67 69 A K E -C 329 0A 38 -2,-0.3 22,-0.4 262,-0.2 2,-0.3 -0.343 48.7-155.9 -55.1 132.0 22.1 19.1 0.6 68 70 A N E -C 328 0A 6 260,-2.9 2,-0.9 281,-0.2 260,-0.6 -0.822 19.0-122.3-107.6 148.9 21.9 22.8 1.1 69 71 A L - 0 0 1 -2,-0.3 260,-0.1 258,-0.1 17,-0.1 -0.860 33.8-148.8 -83.9 103.3 21.7 24.7 4.4 70 72 A S > - 0 0 15 -2,-0.9 4,-2.8 1,-0.1 5,-0.2 -0.125 32.3 -97.7 -57.3 166.3 18.5 26.7 4.0 71 73 A Q H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.909 127.3 57.1 -56.1 -38.7 18.3 30.0 5.8 72 74 A A H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.933 108.8 42.9 -55.6 -55.3 16.4 28.2 8.5 73 75 A L H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.853 109.1 59.2 -65.5 -35.0 19.2 25.7 9.1 74 76 A K H X S+ 0 0 74 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.942 109.4 43.9 -57.1 -41.8 21.8 28.5 8.9 75 77 A F H >< S+ 0 0 46 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.927 112.7 50.6 -71.3 -40.7 20.0 30.2 11.8 76 78 A V H >X S+ 0 0 5 -4,-2.2 4,-3.2 1,-0.3 3,-2.5 0.811 95.8 74.8 -62.6 -28.0 19.6 26.8 13.8 77 79 A R H 3X S+ 0 0 71 -4,-2.3 4,-2.1 1,-0.3 -1,-0.3 0.786 76.6 75.7 -57.4 -28.1 23.4 26.3 13.2 78 80 A D H << S+ 0 0 97 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.758 117.3 15.7 -55.7 -25.7 24.0 28.9 15.8 79 81 A F H <4 S+ 0 0 1 -3,-2.5 -2,-0.2 -4,-0.2 -1,-0.2 0.616 128.5 52.0-121.6 -22.7 23.1 26.2 18.4 80 82 A F H >< S- 0 0 10 -4,-3.2 3,-1.7 1,-0.2 6,-0.2 0.606 83.6-179.4 -78.0 -18.1 23.3 23.0 16.3 81 83 A G T 3< - 0 0 5 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.183 63.3 -24.5 57.4-138.6 26.9 23.9 15.1 82 84 A D T 3 S+ 0 0 31 5,-0.1 -1,-0.2 3,-0.1 5,-0.1 -0.124 98.8 138.8-100.7 36.7 28.5 21.4 12.8 83 85 A G S <> S- 0 0 0 -3,-1.7 4,-0.7 169,-0.1 3,-0.5 -0.143 74.6 -85.2 -60.9 171.6 26.3 18.6 14.1 84 86 A L T 4 S+ 0 0 16 1,-0.2 3,-0.4 2,-0.2 -1,-0.1 0.811 125.3 47.0 -58.6 -40.7 24.9 16.2 11.7 85 87 A V T 4 S+ 0 0 45 1,-0.2 -1,-0.2 -5,-0.1 -8,-0.1 0.820 120.3 36.3 -71.2 -33.7 21.7 18.2 10.7 86 88 A T T 4 S+ 0 0 0 -3,-0.5 2,-0.3 -6,-0.2 -1,-0.2 0.200 93.6 104.0-113.2 16.3 23.5 21.5 10.2 87 89 A S S < S- 0 0 0 -4,-0.7 2,-0.2 -3,-0.4 -5,-0.1 -0.748 71.4-118.4 -93.9 139.9 26.8 20.3 8.6 88 90 A W > - 0 0 52 -2,-0.3 3,-1.6 1,-0.1 6,-0.3 -0.541 25.4-119.0 -66.3 149.7 27.6 20.6 4.9 89 91 A T T 3 S+ 0 0 23 -22,-0.4 6,-0.3 1,-0.3 -1,-0.1 0.821 114.1 52.4 -59.8 -30.6 28.2 17.2 3.2 90 92 A H T 3 S+ 0 0 130 4,-0.1 2,-0.3 5,-0.0 -1,-0.3 0.522 83.9 105.9 -86.0 -7.6 31.8 18.4 2.3 91 93 A E S X> S- 0 0 45 -3,-1.6 3,-1.9 1,-0.1 4,-0.8 -0.616 77.0-128.4 -75.4 139.4 32.7 19.4 5.9 92 94 A K H 3> S+ 0 0 126 -2,-0.3 4,-1.7 1,-0.3 5,-0.2 0.862 106.1 56.7 -51.9 -45.3 35.1 16.8 7.5 93 95 A N H 3> S+ 0 0 23 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.658 96.0 65.5 -66.8 -12.5 32.8 16.5 10.6 94 96 A W H <> S+ 0 0 8 -3,-1.9 4,-2.6 -6,-0.3 -1,-0.2 0.992 110.2 32.5 -70.2 -62.1 29.7 15.4 8.6 95 97 A K H X S+ 0 0 61 -4,-0.8 4,-2.8 -6,-0.3 5,-0.2 0.882 118.8 54.8 -65.6 -35.7 31.0 12.1 7.3 96 98 A K H X S+ 0 0 10 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.967 113.4 39.6 -62.0 -51.2 33.1 11.5 10.4 97 99 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.880 113.7 56.2 -64.0 -38.9 30.1 11.8 12.8 98 100 A H H X S+ 0 0 8 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.962 111.0 43.2 -57.6 -48.6 27.9 10.0 10.3 99 101 A N H < S+ 0 0 24 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.875 115.1 49.4 -65.2 -40.9 30.3 7.0 10.4 100 102 A I H < S+ 0 0 5 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.883 118.7 37.4 -66.1 -33.3 30.8 7.2 14.1 101 103 A L H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 4,-0.2 0.706 90.5 85.9-101.5 -21.9 27.0 7.3 14.9 102 104 A L G >< S+ 0 0 30 -4,-2.4 3,-2.1 -5,-0.3 -1,-0.2 0.803 83.2 60.7 -41.7 -41.4 25.5 5.0 12.3 103 105 A P G > S+ 0 0 67 0, 0.0 3,-1.5 0, 0.0 6,-0.3 0.762 90.8 71.5 -69.3 -18.2 26.0 1.9 14.4 104 106 A S G < S+ 0 0 0 -3,-1.8 -2,-0.2 1,-0.3 125,-0.1 0.555 101.3 45.5 -66.8 -7.2 23.7 3.6 17.0 105 107 A F G < S+ 0 0 24 -3,-2.1 -1,-0.3 -4,-0.2 295,-0.1 0.171 81.9 122.3-127.7 20.4 20.9 2.9 14.6 106 108 A S S <> S- 0 0 36 -3,-1.5 4,-2.6 1,-0.1 5,-0.2 -0.335 79.0-103.6 -66.9 162.4 21.5 -0.7 13.6 107 109 A Q H > S+ 0 0 22 700,-0.4 4,-2.3 1,-0.2 5,-0.2 0.886 125.2 52.6 -51.8 -39.5 18.7 -3.3 14.2 108 110 A Q H > S+ 0 0 147 698,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.893 107.8 50.2 -68.3 -39.0 20.7 -4.6 17.1 109 111 A A H > S+ 0 0 17 -6,-0.3 4,-0.9 2,-0.2 -2,-0.2 0.940 110.1 51.8 -60.5 -42.0 20.9 -1.0 18.6 110 112 A M H >X S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.2 3,-1.1 0.920 105.7 54.1 -64.5 -41.1 17.2 -0.7 18.1 111 113 A K H 3< S+ 0 0 75 -4,-2.3 4,-0.5 1,-0.3 3,-0.3 0.877 108.1 51.0 -58.0 -36.6 16.6 -4.0 20.0 112 114 A G H 3< S+ 0 0 47 -4,-1.6 4,-0.3 1,-0.2 -1,-0.3 0.597 107.5 52.5 -78.3 -14.1 18.6 -2.6 22.9 113 115 A Y 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4,-0.3 -2,-0.2 0.986 122.6 39.7 -73.4 -55.4 17.0 7.8 28.2 154 156 A C H <5S+ 0 0 1 -4,-2.7 75,-0.5 -5,-0.2 -3,-0.2 0.837 126.5 33.8 -61.4 -38.3 17.8 5.8 25.1 155 157 A G H <5S+ 0 0 1 -4,-2.0 75,-2.7 -5,-0.4 76,-0.3 0.845 137.9 10.7 -89.0 -35.8 20.5 8.1 23.8 156 158 A F H < + 0 0 58 1,-0.1 3,-1.2 -12,-0.1 -2,-0.1 0.882 32.8 162.5 50.3 52.0 11.5 13.2 34.3 162 164 A S G > + 0 0 4 -17,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.819 66.9 60.1 -71.8 -33.0 9.0 15.1 32.2 163 165 A F G 3 S+ 0 0 31 1,-0.3 -1,-0.3 -18,-0.2 -2,-0.1 0.623 95.6 62.7 -73.4 -8.9 6.1 13.2 33.5 164 166 A Y G < S+ 0 0 179 -3,-1.2 2,-0.4 -4,-0.1 -1,-0.3 0.300 95.5 81.7 -91.2 6.2 6.9 14.5 37.1 165 167 A R < - 0 0 99 -3,-1.7 4,-0.1 1,-0.1 -4,-0.0 -0.946 59.7-162.2-122.4 137.2 6.3 18.0 35.8 166 168 A D S S+ 0 0 144 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.694 85.5 48.7 -82.5 -28.7 3.0 19.9 35.4 167 169 A Q S S- 0 0 135 1,-0.1 -2,-0.0 -5,-0.0 0, 0.0 -0.710 107.4 -81.3-103.6 166.8 4.7 22.5 33.1 168 170 A P - 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.279 59.0 -91.8 -64.6 152.1 6.9 21.7 30.1 169 171 A H >> - 0 0 13 1,-0.1 4,-1.7 -4,-0.1 3,-0.9 -0.452 33.4-117.5 -59.2 138.2 10.5 21.0 31.0 170 172 A P H 3> S+ 0 0 71 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.753 115.2 60.3 -51.0 -31.2 12.8 24.1 31.0 171 173 A F H 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.932 107.1 46.2 -62.7 -43.6 14.8 22.5 28.2 172 174 A I H <> S+ 0 0 12 -3,-0.9 4,-3.3 2,-0.2 5,-0.2 0.918 108.4 54.8 -60.1 -51.0 11.7 22.4 26.0 173 175 A T H X S+ 0 0 51 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.929 114.2 41.2 -51.7 -49.5 10.6 26.0 26.9 174 176 A S H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.865 113.4 53.2 -66.3 -40.8 14.1 27.3 25.7 175 177 A M H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.944 109.2 49.2 -57.1 -49.8 14.1 25.0 22.7 176 178 A V H X S+ 0 0 34 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.929 112.8 47.4 -60.7 -44.4 10.7 26.3 21.5 177 179 A R H X S+ 0 0 95 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.907 112.6 48.3 -64.7 -43.3 11.8 30.0 21.9 178 180 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.958 114.1 46.2 -61.0 -50.0 15.1 29.4 20.0 179 181 A L H X S+ 0 0 8 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.901 113.2 50.5 -55.6 -43.3 13.3 27.6 17.2 180 182 A D H X S+ 0 0 49 -4,-2.7 4,-3.3 -5,-0.2 -1,-0.2 0.917 110.0 50.3 -56.7 -46.4 10.6 30.4 17.2 181 183 A E H X S+ 0 0 15 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.922 109.3 50.9 -63.3 -42.2 13.4 33.0 17.0 182 184 A A H X S+ 0 0 0 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.929 113.6 45.3 -61.7 -43.1 15.0 31.1 14.1 183 185 A M H >< S+ 0 0 17 -4,-2.4 3,-1.4 1,-0.2 4,-0.4 0.945 111.4 51.7 -64.2 -50.7 11.7 31.1 12.2 184 186 A N H >< S+ 0 0 54 -4,-3.3 3,-1.8 1,-0.3 4,-0.4 0.908 101.4 62.1 -54.5 -41.9 11.0 34.7 13.0 185 187 A K H >< S+ 0 0 26 -4,-2.9 3,-1.1 1,-0.3 -1,-0.3 0.769 86.7 74.2 -54.2 -24.6 14.5 35.7 11.7 186 188 A L T << S+ 0 0 31 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.815 100.2 44.4 -59.0 -28.5 13.5 34.4 8.2 187 189 A Q T < S+ 0 0 34 -3,-1.8 2,-0.6 -4,-0.4 -1,-0.3 0.532 83.8 117.3 -95.5 -11.0 11.2 37.5 7.8 188 190 A R < - 0 0 15 -3,-1.1 -3,-0.0 -4,-0.4 -173,-0.0 -0.493 39.6-173.6 -73.2 114.2 13.6 40.2 9.1 189 191 A A S S+ 0 0 47 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.0 0.936 89.6 29.5 -63.2 -45.1 14.6 42.8 6.5 190 192 A N > + 0 0 104 1,-0.1 3,-2.3 2,-0.0 -1,-0.3 -0.719 69.0 177.7-121.7 79.1 17.1 44.4 8.9 191 193 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.725 81.3 51.4 -60.0 -26.5 18.4 41.6 11.2 192 194 A D T 3 S+ 0 0 126 3,-0.0 5,-0.0 5,-0.0 -2,-0.0 0.155 74.3 130.4-101.0 19.1 20.8 44.0 13.0 193 195 A D X - 0 0 66 -3,-2.3 3,-1.3 1,-0.1 4,-0.0 -0.452 68.3-124.6 -53.3 141.4 18.3 46.7 13.7 194 196 A P G > S+ 0 0 91 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.729 107.2 78.0 -58.2 -26.9 18.7 47.6 17.5 195 197 A A G 3 S+ 0 0 72 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.703 94.0 50.4 -55.0 -20.7 14.9 46.8 17.7 196 198 A Y G <> S+ 0 0 60 -3,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.342 77.6 102.5 -98.3 3.4 16.1 43.1 17.7 197 199 A D H <> S+ 0 0 102 -3,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.789 82.5 49.4 -55.1 -34.2 18.7 43.4 20.5 198 200 A E H > S+ 0 0 106 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.826 107.0 52.7 -81.8 -34.7 16.4 41.9 23.1 199 201 A N H > S+ 0 0 56 -3,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.900 109.1 52.4 -60.1 -43.6 15.5 38.9 20.9 200 202 A K H X S+ 0 0 64 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.829 109.0 49.1 -62.3 -36.8 19.3 38.3 20.5 201 203 A R H X S+ 0 0 120 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.917 113.5 45.7 -70.2 -45.6 19.7 38.4 24.3 202 204 A Q H X S+ 0 0 43 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.943 110.4 54.4 -59.2 -46.7 16.8 35.9 24.8 203 205 A F H X S+ 0 0 5 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.952 110.3 46.7 -53.0 -52.8 18.2 33.7 22.0 204 206 A Q H X S+ 0 0 113 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.867 112.0 50.6 -59.4 -40.1 21.6 33.6 23.9 205 207 A E H X S+ 0 0 81 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.890 110.8 49.0 -62.4 -42.4 19.9 32.8 27.2 206 208 A D H X S+ 0 0 2 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.925 109.1 51.9 -66.3 -37.5 17.9 30.0 25.6 207 209 A I H X S+ 0 0 14 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.910 108.4 52.6 -63.6 -40.5 21.1 28.6 24.1 208 210 A K H X S+ 0 0 126 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.923 106.8 52.3 -60.7 -44.6 22.7 28.7 27.6 209 211 A V H X S+ 0 0 46 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.938 112.0 46.2 -53.7 -45.6 19.8 26.7 29.1 210 212 A M H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.934 113.7 48.5 -67.1 -44.7 20.3 24.1 26.4 211 213 A N H X S+ 0 0 34 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.792 105.5 55.8 -66.9 -34.0 24.0 23.9 26.8 212 214 A D H X S+ 0 0 61 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.844 107.6 51.2 -71.2 -31.3 24.0 23.7 30.6 213 215 A L H X S+ 0 0 15 -4,-1.5 4,-2.0 -5,-0.3 -2,-0.2 0.924 108.1 51.6 -65.5 -43.6 21.8 20.6 30.2 214 216 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.911 108.5 51.5 -55.6 -46.6 24.3 19.2 27.8 215 217 A D H X S+ 0 0 66 -4,-2.3 4,-3.3 1,-0.2 -1,-0.2 0.876 109.1 52.0 -55.4 -42.1 27.1 19.8 30.4 216 218 A K H X S+ 0 0 127 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.863 108.7 49.1 -64.3 -40.7 25.0 17.9 32.9 217 219 A I H X S+ 0 0 1 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.858 114.8 45.2 -65.4 -38.1 24.5 14.9 30.6 218 220 A I H X S+ 0 0 50 -4,-1.9 4,-2.2 -5,-0.2 3,-0.5 0.969 112.8 50.2 -72.1 -52.2 28.3 14.9 30.0 219 221 A A H X S+ 0 0 61 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.899 110.8 51.3 -45.8 -49.5 29.1 15.3 33.7 220 222 A D H X S+ 0 0 91 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.816 109.9 46.6 -61.3 -40.8 26.7 12.4 34.6 221 223 A R H < S+ 0 0 36 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.884 112.0 50.8 -71.5 -37.6 28.2 9.9 32.2 222 224 A K H < S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.951 115.6 44.4 -66.0 -43.4 31.7 10.8 33.3 223 225 A A H < 0 0 89 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.773 360.0 360.0 -61.4 -37.4 30.6 10.2 37.0 224 226 A S < 0 0 122 -4,-1.8 -3,-0.0 -5,-0.2 -4,-0.0 -0.174 360.0 360.0 -54.6 360.0 28.6 7.0 36.4 225 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 226 230 A S 0 0 100 0, 0.0 2,-0.1 0, 0.0 -70,-0.0 0.000 360.0 360.0 360.0 146.2 26.4 1.9 29.0 227 231 A D + 0 0 116 4,-0.0 2,-0.2 -118,-0.0 0, 0.0 -0.518 360.0 113.9-140.4 74.9 26.5 1.2 25.3 228 232 A D S > S- 0 0 11 -73,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.457 82.2 -66.2-130.8-165.5 24.3 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239 243 A P T 4 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -143,-0.0 0.763 97.2 51.4 -65.6 -21.1 36.7 3.8 10.4 240 244 A E T 4 S+ 0 0 126 1,-0.1 -144,-0.0 3,-0.1 -2,-0.0 0.974 126.7 17.1 -77.4 -62.5 37.9 6.1 7.6 241 245 A T T 4 S- 0 0 65 2,-0.2 -1,-0.1 -145,-0.0 -145,-0.0 0.598 91.2-131.9 -84.5 -13.9 40.1 8.6 9.4 242 246 A G < + 0 0 51 -4,-2.4 -2,-0.0 1,-0.2 -1,-0.0 0.476 66.7 126.8 64.1 7.9 40.6 6.5 12.7 243 247 A E - 0 0 71 -5,-0.2 -5,-2.9 -6,-0.1 -1,-0.2 -0.648 53.7-139.9 -92.9 147.8 39.7 9.7 14.6 244 248 A P - 0 0 50 0, 0.0 -7,-0.2 0, 0.0 2,-0.1 -0.506 41.1 -83.5 -87.5 167.1 37.0 10.2 17.4 245 249 A L - 0 0 9 -9,-0.5 2,-0.1 -12,-0.4 -152,-0.0 -0.409 45.9-117.6 -66.2 148.8 34.9 13.3 17.5 246 250 A D > - 0 0 76 -2,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.451 27.2-103.5 -82.9 172.7 36.3 16.3 19.3 247 251 A D H > S+ 0 0 133 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.852 118.3 50.7 -61.0 -44.4 34.8 17.8 22.4 248 252 A E H > S+ 0 0 125 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.941 111.7 45.9 -62.8 -47.2 33.2 20.8 20.6 249 253 A N H 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0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.735 79.5 53.9 -57.2 -34.1 -13.4 6.8 13.6 281 285 A H H 3> S+ 0 0 160 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.839 111.8 47.5 -68.5 -33.3 -13.4 3.8 11.3 282 286 A V H <> S+ 0 0 16 -3,-1.4 4,-2.7 2,-0.2 5,-0.3 0.921 111.6 49.8 -69.9 -45.8 -9.6 4.1 10.9 283 287 A L H X S+ 0 0 26 -4,-2.1 4,-3.3 -7,-0.5 5,-0.2 0.948 110.8 50.9 -59.0 -41.0 -9.2 4.4 14.7 284 288 A Q H X S+ 0 0 108 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.916 110.0 47.9 -64.9 -44.4 -11.3 1.3 15.1 285 289 A K H X S+ 0 0 84 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.899 114.6 46.7 -65.2 -37.7 -9.2 -0.7 12.7 286 290 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.902 112.1 50.7 -65.2 -44.2 -6.0 0.5 14.4 287 291 A A H X S+ 0 0 17 -4,-3.3 4,-2.2 -5,-0.3 -2,-0.2 0.902 108.1 53.1 -61.1 -40.0 -7.4 -0.3 17.8 288 292 A E H X S+ 0 0 98 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.860 111.1 46.0 -65.8 -37.5 -8.4 -3.8 16.6 289 293 A E H X S+ 0 0 12 -4,-1.8 4,-2.8 2,-0.2 5,-0.4 0.943 110.4 53.2 -70.0 -43.0 -4.9 -4.5 15.4 290 294 A A H X S+ 0 0 0 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0.907 108.7 50.0 -55.0 -42.3 2.7 1.8 10.8 312 316 A M H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.889 105.7 54.9 -67.9 -39.4 0.5 2.8 7.9 313 317 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.893 110.0 48.3 -56.4 -46.6 -1.4 5.4 10.1 314 318 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.922 111.0 48.8 -63.5 -44.5 1.9 7.0 11.0 315 319 A N H X S+ 0 0 38 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.904 110.8 51.1 -64.2 -36.0 3.0 7.1 7.4 316 320 A E H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.856 108.8 50.8 -70.0 -33.8 -0.3 8.6 6.4 317 321 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.887 111.2 49.3 -64.3 -41.1 0.1 11.3 9.1 318 322 A L H < S+ 0 0 6 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.836 106.2 57.9 -64.0 -31.5 3.6 12.0 7.8 319 323 A R H < S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.971 116.5 32.7 -63.2 -47.7 2.1 12.2 4.2 320 324 A L H < S+ 0 0 2 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.1 0.907 137.7 17.7 -79.3 -41.8 -0.3 15.0 5.2 321 325 A W S < S- 0 0 29 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 -0.544 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126.7 47.5 -53.4 -40.9 44.9 -14.2 -9.4 532 87 B V T 34 S+ 0 0 46 1,-0.2 -1,-0.3 -5,-0.1 -8,-0.1 0.828 119.6 36.3 -72.3 -34.6 41.8 -16.1 -8.3 533 88 B T T <4 S+ 0 0 0 -3,-0.9 2,-0.3 -6,-0.2 -2,-0.2 0.290 93.0 101.0-111.6 8.2 43.6 -19.5 -7.5 534 89 B S S < S- 0 0 0 -4,-0.8 2,-0.2 -3,-0.3 -5,-0.1 -0.690 74.2-116.5 -88.4 143.9 46.9 -18.2 -6.0 535 90 B W > - 0 0 63 -2,-0.3 3,-1.0 1,-0.1 6,-0.3 -0.521 28.0-115.2 -67.3 150.0 47.6 -18.2 -2.3 536 91 B T T 3 S+ 0 0 23 -22,-0.3 6,-0.3 1,-0.2 -1,-0.1 0.777 116.8 50.0 -59.3 -26.7 48.2 -14.6 -0.9 537 92 B H T 3 S+ 0 0 132 4,-0.1 -1,-0.2 5,-0.0 2,-0.2 0.583 84.1 104.7 -93.0 -12.8 51.8 -15.6 0.0 538 93 B E S X> S- 0 0 50 -3,-1.0 3,-1.4 1,-0.1 4,-0.8 -0.543 78.4-127.7 -64.7 137.5 52.6 -17.1 -3.5 539 94 B K H 3> S+ 0 0 121 1,-0.3 4,-1.6 -2,-0.2 5,-0.2 0.770 104.3 61.7 -62.2 -31.2 54.8 -14.5 -5.3 540 95 B N H 3> S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.728 94.2 63.5 -72.3 -17.5 52.6 -14.5 -8.3 541 96 B W H <> S+ 0 0 9 -3,-1.4 4,-3.2 -6,-0.3 -2,-0.2 0.990 109.6 35.0 -68.9 -55.9 49.6 -13.2 -6.4 542 97 B K H X S+ 0 0 67 -4,-0.8 4,-2.5 -6,-0.3 5,-0.2 0.865 118.4 52.5 -67.1 -43.0 51.0 -9.8 -5.4 543 98 B K H X S+ 0 0 11 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.955 115.4 40.0 -51.2 -60.1 53.0 -9.3 -8.6 544 99 B A H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.924 113.9 55.9 -62.5 -42.8 49.9 -9.9 -10.7 545 100 B H H X S+ 0 0 34 -4,-3.2 4,-2.3 -5,-0.2 -1,-0.2 0.919 112.6 41.0 -50.9 -48.5 47.8 -7.9 -8.3 546 101 B N H < S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.849 116.6 47.8 -75.6 -35.2 50.1 -4.9 -8.7 547 102 B I H < S+ 0 0 6 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.897 120.9 36.9 -68.5 -37.3 50.6 -5.2 -12.4 548 103 B L H >< S+ 0 0 0 -4,-3.1 3,-2.4 -5,-0.2 4,-0.2 0.783 93.3 82.2 -93.2 -29.1 46.8 -5.6 -13.1 549 104 B L G >< S+ 0 0 81 -4,-2.3 3,-2.1 -5,-0.3 -1,-0.2 0.825 88.3 57.0 -41.4 -47.7 45.1 -3.2 -10.6 550 105 B P G > S+ 0 0 64 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.694 92.3 70.6 -61.0 -19.5 45.6 -0.2 -12.8 551 106 B S G < S+ 0 0 2 -3,-2.4 -2,-0.2 1,-0.2 123,-0.1 0.547 102.2 46.8 -71.5 -8.8 43.7 -2.0 -15.5 552 107 B F G < S+ 0 0 6 -3,-2.1 -1,-0.2 -4,-0.2 293,-0.1 0.046 85.7 121.8-120.6 24.1 40.7 -1.4 -13.2 553 108 B S S <> S- 0 0 44 -3,-1.4 4,-3.2 1,-0.1 3,-0.3 -0.396 78.6-105.9 -79.7 166.8 41.2 2.3 -12.4 554 109 B Q H > S+ 0 0 78 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.888 126.3 52.8 -63.2 -36.6 38.6 4.9 -13.2 555 110 B Q H > S+ 0 0 166 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.874 111.0 49.0 -61.1 -37.2 40.8 6.1 -16.1 556 111 B A H > S+ 0 0 17 -3,-0.3 4,-1.4 -6,-0.2 3,-0.5 0.940 109.9 50.0 -66.1 -49.6 40.7 2.4 -17.2 557 112 B M H >X S+ 0 0 1 -4,-3.2 4,-1.6 1,-0.3 3,-0.6 0.910 106.7 53.8 -56.6 -47.8 36.9 2.1 -16.9 558 113 B K H 3< S+ 0 0 130 -4,-2.4 4,-0.4 1,-0.3 -1,-0.3 0.822 109.2 51.9 -56.6 -32.8 36.3 5.2 -18.9 559 114 B G H 3< S+ 0 0 50 -4,-1.0 4,-0.3 -3,-0.5 -1,-0.3 0.747 109.4 48.5 -74.1 -29.7 38.5 3.6 -21.6 560 115 B Y H XX S+ 0 0 9 -4,-1.4 4,-2.0 -3,-0.6 3,-0.7 0.714 89.7 86.2 -76.6 -22.7 36.4 0.4 -21.5 561 116 B H H 3X S+ 0 0 17 -4,-1.6 4,-2.2 1,-0.3 3,-0.3 0.866 84.2 50.5 -54.0 -50.6 33.2 2.2 -21.8 562 117 B A H 3> S+ 0 0 74 -4,-0.4 4,-1.7 1,-0.3 -1,-0.3 0.818 112.5 48.4 -57.7 -38.4 33.0 2.5 -25.7 563 118 B M H <> S+ 0 0 49 -3,-0.7 4,-1.7 -4,-0.3 -1,-0.3 0.815 108.2 53.3 -74.3 -30.6 33.7 -1.2 -26.1 564 119 B M H X S+ 0 0 2 -4,-2.0 4,-2.2 -3,-0.3 -2,-0.2 0.905 108.1 51.2 -66.6 -39.2 31.1 -2.2 -23.5 565 120 B V H X S+ 0 0 14 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.917 104.4 59.5 -62.4 -40.4 28.5 -0.1 -25.5 566 121 B D H X S+ 0 0 54 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.937 112.3 37.2 -51.4 -53.8 29.6 -2.0 -28.7 567 122 B I H X S+ 0 0 3 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.895 115.0 55.0 -69.7 -39.8 28.6 -5.3 -27.3 568 123 B A H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.885 105.6 52.6 -58.6 -42.5 25.6 -3.9 -25.5 569 124 B V H X S+ 0 0 27 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.925 105.5 56.2 -61.1 -40.1 24.3 -2.5 -28.8 570 125 B Q H X S+ 0 0 25 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.918 108.5 46.9 -61.2 -41.7 24.7 -6.0 -30.3 571 126 B L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.937 113.3 46.4 -63.7 -46.2 22.4 -7.4 -27.6 572 127 B V H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.928 112.6 51.3 -66.0 -43.7 19.8 -4.7 -27.9 573 128 B Q H X S+ 0 0 67 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.908 106.7 55.3 -60.9 -36.4 19.8 -5.1 -31.8 574 129 B K H >< S+ 0 0 57 -4,-2.2 3,-0.6 -5,-0.3 4,-0.3 0.949 111.8 41.9 -62.9 -42.5 19.4 -8.8 -31.5 575 130 B W H >< S+ 0 0 5 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.828 110.3 56.4 -75.9 -32.4 16.2 -8.4 -29.5 576 131 B E H 3< S+ 0 0 51 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.708 107.1 52.5 -62.2 -24.2 14.9 -5.5 -31.6 577 132 B R T << S+ 0 0 172 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.404 81.3 112.0 -99.7 -0.8 15.2 -7.9 -34.7 578 133 B L < - 0 0 54 -3,-0.8 2,-0.1 -4,-0.3 3,-0.1 -0.454 69.0-122.2 -71.4 145.0 13.2 -10.7 -33.2 579 134 B N > - 0 0 112 1,-0.2 3,-2.1 -2,-0.1 -1,-0.1 -0.470 44.3 -70.7 -81.6 167.0 9.9 -11.3 -34.9 580 135 B A T 3 S+ 0 0 99 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.139 121.9 15.9 -51.6 129.0 6.5 -11.2 -33.0 581 136 B D T 3 S+ 0 0 82 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.684 91.7 122.0 74.7 5.7 6.2 -14.2 -30.7 582 137 B E < - 0 0 81 -3,-2.1 2,-0.3 307,-0.1 -1,-0.2 -0.550 51.1-151.5 -76.2 166.2 9.8 -15.2 -30.8 583 138 B H - 0 0 88 -2,-0.2 2,-0.4 305,-0.1 305,-0.2 -0.852 7.8-111.9-134.9 178.2 11.2 -15.2 -27.2 584 139 B I E -M 887 0G 3 303,-3.1 303,-1.3 -2,-0.3 2,-0.7 -0.910 9.1-143.6-113.1 138.8 14.5 -14.6 -25.5 585 140 B E E > -M 886 0G 95 -2,-0.4 4,-2.6 301,-0.2 301,-0.2 -0.874 24.7-160.2 -97.6 109.2 16.6 -17.1 -23.7 586 141 B V H > S+ 0 0 0 299,-2.5 4,-2.9 -2,-0.7 5,-0.3 0.949 78.1 38.9 -68.4 -57.6 17.9 -14.9 -20.9 587 142 B P H > S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.879 115.6 55.5 -59.9 -34.6 21.0 -16.5 -19.4 588 143 B E H > S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.955 111.1 43.3 -62.7 -50.3 22.2 -17.6 -22.9 589 144 B D H X S+ 0 0 4 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.904 111.9 53.0 -63.5 -38.2 22.0 -14.0 -24.2 590 145 B M H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 5,-0.3 0.873 108.9 51.7 -66.3 -30.7 23.6 -12.6 -21.0 591 146 B T H X S+ 0 0 15 -4,-2.4 4,-2.1 -5,-0.3 5,-0.4 0.907 107.4 51.8 -69.4 -34.4 26.5 -15.0 -21.5 592 147 B R H X S+ 0 0 16 -4,-1.8 4,-1.6 1,-0.2 17,-0.3 0.924 114.7 44.1 -62.6 -44.8 26.9 -13.9 -25.1 593 148 B L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.913 115.6 43.4 -70.2 -46.6 27.1 -10.4 -23.9 594 149 B T H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.958 114.0 50.1 -73.6 -42.3 29.4 -10.8 -20.9 595 150 B L H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.951 113.9 46.7 -53.1 -48.0 31.9 -13.1 -22.6 596 151 B D H X S+ 0 0 2 -4,-1.6 4,-2.7 -5,-0.4 5,-0.2 0.866 109.2 54.3 -66.3 -36.3 32.1 -10.8 -25.5 597 152 B T H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.947 112.2 42.1 -65.9 -41.6 32.5 -7.8 -23.3 598 153 B I H X>S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 5,-0.6 0.935 113.9 52.9 -71.5 -42.2 35.5 -9.2 -21.5 599 154 B G H X5S+ 0 0 0 -4,-2.6 6,-2.1 -5,-0.2 4,-1.6 0.931 117.7 38.0 -52.6 -48.8 37.1 -10.6 -24.7 600 155 B L H X5S+ 0 0 4 -4,-2.7 4,-1.4 4,-0.3 -2,-0.2 0.951 122.7 38.3 -74.1 -51.2 36.8 -7.1 -26.3 601 156 B C H <5S+ 0 0 0 -4,-2.8 73,-0.5 -5,-0.2 -3,-0.2 0.889 126.6 34.7 -64.8 -43.4 37.7 -4.8 -23.3 602 157 B G H <5S+ 0 0 2 -4,-2.7 73,-2.5 -5,-0.4 74,-0.2 0.842 138.5 10.3 -82.8 -35.5 40.4 -7.0 -21.8 603 158 B F H < + 0 0 59 1,-0.1 3,-1.4 -12,-0.1 -2,-0.1 0.894 31.6 164.7 47.2 46.0 31.3 -12.8 -32.0 609 164 B S G > + 0 0 4 -17,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.799 67.1 63.2 -63.9 -25.9 28.9 -14.8 -29.8 610 165 B F G 3 S+ 0 0 32 1,-0.2 -1,-0.2 -18,-0.2 -2,-0.1 0.628 96.2 60.1 -75.5 -4.2 25.9 -12.9 -31.3 611 166 B Y G < S+ 0 0 175 -3,-1.4 2,-0.4 -4,-0.1 -1,-0.2 0.212 98.2 77.4 -98.8 8.2 26.8 -14.4 -34.8 612 167 B R < - 0 0 103 -3,-1.3 4,-0.1 1,-0.1 -4,-0.0 -0.957 61.6-161.0-129.0 142.7 26.3 -17.8 -33.3 613 168 B D S S+ 0 0 140 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.670 82.6 47.7 -92.5 -26.9 23.2 -19.6 -32.6 614 169 B Q S S- 0 0 137 1,-0.2 -2,-0.1 -26,-0.0 2,-0.1 -0.524 108.9 -74.0 -97.6 172.7 24.7 -22.1 -30.2 615 170 B P - 0 0 68 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.426 59.9 -98.9 -60.9 148.6 27.0 -21.3 -27.3 616 171 B H > - 0 0 15 -4,-0.1 4,-1.6 1,-0.1 -8,-0.0 -0.364 36.2-107.7 -64.9 154.6 30.6 -20.3 -28.4 617 172 B P H >> S+ 0 0 64 0, 0.0 4,-2.4 0, 0.0 3,-0.6 0.934 119.2 54.4 -51.6 -51.1 33.0 -23.3 -28.2 618 173 B F H 3> S+ 0 0 1 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.905 105.6 52.0 -45.7 -55.5 34.8 -21.7 -25.2 619 174 B I H 3> S+ 0 0 15 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.889 109.3 50.7 -50.1 -42.1 31.6 -21.4 -23.3 620 175 B T H X S+ 0 0 71 -4,-2.0 3,-1.4 1,-0.2 4,-0.8 0.837 104.5 61.6 -75.9 -31.0 31.4 -33.1 -9.5 632 187 B K H 3< S+ 0 0 42 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.761 93.1 67.0 -61.2 -28.0 35.0 -33.8 -8.2 633 188 B L T 3< S+ 0 0 71 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.742 107.8 37.6 -60.6 -26.9 33.8 -32.2 -4.9 634 189 B Q T <4 S+ 0 0 42 -3,-1.4 2,-0.6 -4,-0.3 -2,-0.2 0.567 87.4 113.6-101.5 -12.0 31.4 -35.2 -4.3 635 190 B R < - 0 0 31 -4,-0.8 -3,-0.0 -3,-0.2 -173,-0.0 -0.504 45.3-166.1 -76.1 111.4 33.5 -38.2 -5.7 636 191 B A S S+ 0 0 62 -2,-0.6 -1,-0.2 1,-0.2 -4,-0.0 0.897 86.2 28.8 -55.7 -44.7 34.6 -40.7 -3.0 637 192 B N > + 0 0 113 1,-0.2 3,-1.3 2,-0.0 -1,-0.2 -0.696 69.3 175.5-128.6 79.6 37.3 -42.4 -5.2 638 193 B P T 3 S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.813 74.9 50.9 -56.0 -50.0 38.7 -40.0 -7.8 639 194 B D T 3 S+ 0 0 162 3,-0.1 5,-0.0 2,-0.0 4,-0.0 0.360 76.5 130.9 -82.4 4.3 41.5 -42.0 -9.6 640 195 B D X - 0 0 72 -3,-1.3 3,-1.8 1,-0.1 4,-0.0 -0.278 68.1-126.0 -41.7 132.6 39.1 -45.0 -10.2 641 196 B P G > S+ 0 0 111 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.577 106.6 77.3 -69.9 -7.2 39.4 -46.0 -14.0 642 197 B A G 3 S+ 0 0 72 1,-0.2 4,-0.1 2,-0.1 -2,-0.1 0.389 96.3 46.7 -73.6 -3.2 35.6 -45.5 -14.2 643 198 B Y G <> S+ 0 0 72 -3,-1.8 4,-1.5 -5,-0.1 -1,-0.2 0.154 79.0 104.4-115.2 11.2 36.4 -41.7 -14.2 644 199 B D H <> S+ 0 0 62 -3,-0.9 4,-0.9 1,-0.2 -2,-0.1 0.728 82.1 50.1 -69.9 -21.8 39.2 -41.9 -16.9 645 200 B E H > S+ 0 0 105 2,-0.2 4,-2.7 -4,-0.2 5,-0.3 0.832 105.4 55.1 -76.8 -39.7 36.7 -40.5 -19.5 646 201 B N H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.842 111.1 47.3 -62.7 -32.0 35.7 -37.6 -17.3 647 202 B K H X S+ 0 0 47 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.769 111.3 47.8 -79.6 -33.7 39.5 -36.8 -17.1 648 203 B R H X S+ 0 0 121 -4,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.923 114.3 47.6 -71.4 -45.1 40.1 -37.1 -20.9 649 204 B Q H X S+ 0 0 52 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.915 111.9 51.3 -57.5 -46.6 37.1 -34.9 -21.6 650 205 B F H X S+ 0 0 10 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.826 108.1 50.8 -60.8 -37.0 38.4 -32.5 -18.9 651 206 B Q H X S+ 0 0 124 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.841 112.9 47.3 -69.4 -33.6 41.8 -32.3 -20.6 652 207 B E H X S+ 0 0 87 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.789 108.6 52.7 -78.1 -37.0 40.1 -31.5 -23.9 653 208 B D H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.938 111.3 48.4 -56.4 -51.1 37.9 -28.8 -22.4 654 209 B I H X S+ 0 0 17 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.868 109.5 53.6 -56.4 -41.3 41.1 -27.3 -21.0 655 210 B K H X S+ 0 0 122 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.932 106.0 50.3 -59.6 -50.5 42.6 -27.6 -24.5 656 211 B V H X S+ 0 0 45 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.965 114.9 47.5 -48.5 -52.8 39.7 -25.7 -26.2 657 212 B M H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.869 114.6 43.1 -56.3 -44.8 40.2 -23.0 -23.6 658 213 B N H X S+ 0 0 28 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.749 105.9 62.1 -81.0 -23.3 44.0 -22.9 -24.0 659 214 B D H X S+ 0 0 70 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.901 106.7 47.1 -63.4 -41.9 43.9 -23.0 -27.9 660 215 B L H X S+ 0 0 17 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.893 105.9 57.6 -65.3 -44.2 41.9 -19.7 -27.7 661 216 B V H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.892 107.0 49.6 -52.2 -42.1 44.4 -18.2 -25.2 662 217 B D H X S+ 0 0 64 -4,-1.6 4,-3.4 1,-0.2 -1,-0.2 0.926 107.2 53.3 -67.1 -45.6 47.2 -18.8 -27.8 663 218 B K H X S+ 0 0 35 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.867 108.1 52.5 -52.5 -39.5 45.2 -17.2 -30.6 664 219 B I H X S+ 0 0 3 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.881 112.0 42.9 -70.6 -42.6 44.8 -14.1 -28.3 665 220 B I H X S+ 0 0 48 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.912 114.1 55.1 -63.8 -43.2 48.5 -13.7 -27.6 666 221 B A H < S+ 0 0 58 -4,-3.4 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