==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 28-NOV-01 1KGO . COMPND 2 MOLECULE: RIBONUCLEOTIDE REDUCTASE PROTEIN R2F; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM AMMONIAGENES; . AUTHOR M.HOGBOM,Y.HUQUE,B.M.SJOBERG,P.NORDLUND . 1184 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 932 78.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 14 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 745 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.4 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 2 7 5 3 1 0 0 1 6 8 4 0 0 0 4 0 0 0 0 4 0 0 0 0 4 4 4 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 A S 0 0 82 0, 0.0 530,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.8 30.5 57.5 154.3 2 3 A N > + 0 0 128 2,-0.0 3,-2.2 3,-0.0 4,-0.5 0.522 360.0 82.9-131.5 -33.3 33.8 58.3 152.6 3 4 A E T 3 S+ 0 0 108 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.724 97.2 42.0 -48.2 -33.4 33.6 56.0 149.5 4 5 A Y T 3> S+ 0 0 10 1,-0.2 4,-1.8 2,-0.1 -1,-0.3 0.336 90.2 90.1-101.0 5.6 31.6 58.6 147.5 5 6 A D H <> S+ 0 0 43 -3,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.781 79.6 58.0 -74.0 -27.6 33.5 61.7 148.5 6 7 A E H > S+ 0 0 149 -4,-0.5 4,-1.6 -3,-0.3 -1,-0.2 0.919 109.3 46.6 -67.1 -41.9 36.0 61.6 145.7 7 8 A Y H > S+ 0 0 37 -4,-0.2 4,-0.5 2,-0.2 3,-0.3 0.927 111.3 50.5 -64.0 -46.7 33.2 61.7 143.2 8 9 A I H >< S+ 0 0 32 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.925 109.4 53.3 -57.5 -41.4 31.5 64.5 145.1 9 10 A A H 3< S+ 0 0 60 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.817 111.0 45.0 -62.9 -33.6 34.9 66.3 145.1 10 11 A N H 3< S+ 0 0 116 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.351 109.7 56.8 -95.2 7.0 35.2 66.0 141.3 11 12 A H << + 0 0 78 -3,-1.2 -1,-0.2 -4,-0.5 4,-0.1 -0.563 56.1 151.8-136.4 69.5 31.6 67.1 140.5 12 13 A T + 0 0 112 -3,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.751 47.2 95.2 -71.0 -28.7 31.2 70.5 142.1 13 14 A D S S- 0 0 127 -3,-0.1 2,-0.1 1,-0.1 -3,-0.0 -0.313 86.5-101.7 -64.4 148.1 28.6 71.6 139.7 14 15 A P - 0 0 49 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.418 26.8-119.0 -73.1 145.1 25.0 71.1 140.8 15 16 A V - 0 0 21 416,-0.2 2,-0.4 417,-0.1 426,-0.1 -0.704 37.3-141.4 -80.8 134.7 22.9 68.3 139.5 16 17 A K - 0 0 106 -2,-0.4 2,-0.2 355,-0.1 412,-0.0 -0.832 5.5-139.0-108.8 139.4 19.9 69.8 137.6 17 18 A A - 0 0 5 -2,-0.4 2,-0.2 411,-0.2 354,-0.2 -0.628 37.3-100.6 -87.8 148.6 16.3 68.7 137.5 18 19 A I - 0 0 9 352,-0.4 2,-0.5 -2,-0.2 394,-0.1 -0.478 33.4-158.5 -72.3 138.7 14.5 68.9 134.1 19 20 A N > - 0 0 25 3,-0.2 3,-1.0 -2,-0.2 76,-0.1 -0.925 14.5-176.3-121.1 107.3 12.3 72.0 133.7 20 21 A W T 3 S+ 0 0 10 -2,-0.5 3,-0.2 1,-0.2 -1,-0.1 0.429 77.4 76.8 -82.7 4.1 9.6 71.8 131.0 21 22 A N T 3 S+ 0 0 51 1,-0.2 2,-0.4 400,-0.0 -1,-0.2 0.576 98.9 44.4 -84.9 -13.4 8.6 75.4 131.6 22 23 A V S < S- 0 0 77 -3,-1.0 -1,-0.2 0, 0.0 -3,-0.2 -0.924 70.5-176.8-135.5 105.3 11.7 76.5 129.6 23 24 A I - 0 0 40 -2,-0.4 3,-0.2 -3,-0.2 -3,-0.1 -0.882 9.9-170.2-108.7 103.2 12.4 74.7 126.3 24 25 A P S S+ 0 0 100 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.818 84.5 35.6 -60.7 -31.9 15.6 75.8 124.6 25 26 A D S >> S- 0 0 23 1,-0.1 3,-1.5 0, 0.0 4,-0.7 -0.932 70.6-158.7-127.0 105.5 14.8 73.8 121.4 26 27 A E H 3> S+ 0 0 149 -2,-0.5 4,-2.0 1,-0.3 3,-0.3 0.775 87.2 71.4 -52.7 -31.1 11.0 73.7 120.5 27 28 A K H 3> S+ 0 0 32 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.867 91.1 58.4 -55.2 -39.5 11.6 70.5 118.4 28 29 A D H <> S+ 0 0 0 -3,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.927 107.1 45.8 -57.9 -46.3 12.2 68.4 121.6 29 30 A L H X S+ 0 0 58 -4,-0.7 4,-2.3 -3,-0.3 -1,-0.2 0.895 112.5 52.9 -64.7 -39.0 8.8 69.3 122.9 30 31 A E H X S+ 0 0 107 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.893 112.4 42.1 -62.2 -45.4 7.2 68.6 119.5 31 32 A V H X S+ 0 0 6 -4,-2.8 4,-3.6 2,-0.2 5,-0.3 0.913 112.8 54.4 -71.0 -41.4 8.7 65.1 119.2 32 33 A W H X S+ 0 0 2 -4,-2.6 4,-2.9 -5,-0.3 5,-0.4 0.936 112.0 43.5 -56.0 -49.3 8.0 64.3 122.8 33 34 A D H X S+ 0 0 75 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.906 116.8 48.1 -63.1 -41.2 4.3 65.1 122.4 34 35 A R H X S+ 0 0 143 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.928 116.3 41.6 -65.3 -47.3 4.2 63.3 119.0 35 36 A L H < S+ 0 0 1 -4,-3.6 3,-0.5 2,-0.2 -2,-0.2 0.923 119.8 41.8 -69.7 -45.4 5.9 60.2 120.3 36 37 A T H >< S+ 0 0 6 -4,-2.9 3,-1.7 -5,-0.3 -2,-0.2 0.892 112.0 56.5 -69.6 -37.1 4.1 59.9 123.7 37 38 A G H 3< S+ 0 0 57 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.726 105.6 53.3 -64.4 -19.7 0.9 60.8 121.9 38 39 A N T 3< S+ 0 0 27 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.194 79.2 150.5-101.1 17.6 1.4 57.8 119.6 39 40 A F < + 0 0 47 -3,-1.7 2,-0.3 1,-0.0 -3,-0.1 -0.138 16.4 160.5 -50.2 136.7 1.9 55.3 122.5 40 41 A W - 0 0 15 156,-0.0 -2,-0.0 66,-0.0 69,-0.0 -0.993 30.2-151.5-157.6 160.1 0.8 51.8 121.6 41 42 A L > - 0 0 6 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.994 26.7-126.9-133.6 139.4 1.2 48.1 122.6 42 43 A P G > S+ 0 0 4 0, 0.0 3,-2.1 0, 0.0 5,-0.3 0.770 104.0 74.1 -57.0 -27.1 0.9 45.1 120.3 43 44 A E G 3 S+ 0 0 80 1,-0.3 4,-0.1 3,-0.1 -3,-0.0 0.770 85.8 67.4 -58.1 -23.7 -1.7 43.5 122.5 44 45 A K G < S+ 0 0 140 -3,-1.9 -1,-0.3 2,-0.1 -4,-0.0 0.668 87.9 76.3 -71.6 -19.6 -4.1 46.1 121.2 45 46 A I S < S- 0 0 22 -3,-2.1 2,-2.8 -4,-0.2 3,-0.2 -0.856 83.4-128.5-102.0 125.1 -4.1 44.6 117.6 46 47 A P > + 0 0 61 0, 0.0 3,-1.9 0, 0.0 143,-0.1 -0.319 41.2 161.4 -67.4 66.6 -6.1 41.4 116.9 47 48 A V G > + 0 0 7 -2,-2.8 3,-2.6 -5,-0.3 4,-0.2 0.809 64.4 74.9 -57.0 -31.9 -3.2 39.5 115.3 48 49 A S G > S+ 0 0 66 1,-0.3 3,-1.3 -3,-0.2 -1,-0.3 0.754 83.1 67.1 -54.1 -27.2 -5.1 36.3 115.9 49 50 A N G < S+ 0 0 104 -3,-1.9 -1,-0.3 1,-0.2 4,-0.3 0.482 89.7 64.8 -74.2 -1.9 -7.4 37.3 113.0 50 51 A D G <> S+ 0 0 4 -3,-2.6 4,-3.2 1,-0.1 -1,-0.2 0.406 74.6 95.8 -96.4 -1.3 -4.5 36.8 110.5 51 52 A I H <> S+ 0 0 67 -3,-1.3 4,-2.5 2,-0.2 5,-0.2 0.934 83.4 46.0 -55.5 -52.3 -4.3 33.1 111.3 52 53 A Q H > S+ 0 0 150 -4,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.896 116.0 48.0 -57.7 -41.5 -6.5 31.9 108.3 53 54 A S H > S+ 0 0 24 -4,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.914 110.6 51.8 -65.6 -41.7 -4.5 34.3 106.1 54 55 A W H < S+ 0 0 8 -4,-3.2 3,-0.4 1,-0.2 -2,-0.2 0.864 108.3 51.0 -64.2 -36.7 -1.2 33.0 107.5 55 56 A N H < S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.811 103.5 56.8 -73.5 -28.3 -2.2 29.3 106.9 56 57 A K H < S+ 0 0 70 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.698 88.6 103.6 -74.4 -17.7 -3.1 29.9 103.2 57 58 A M S < S- 0 0 11 -4,-0.8 -3,-0.0 -3,-0.4 -4,-0.0 -0.326 79.8-110.7 -66.6 145.1 0.5 31.3 102.7 58 59 A T > - 0 0 27 1,-0.1 4,-2.0 1109,-0.1 5,-0.2 -0.262 28.6-108.1 -69.5 161.7 3.0 29.1 101.0 59 60 A P H > S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.852 121.2 54.5 -61.4 -32.1 6.0 27.6 103.0 60 61 A Q H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.935 106.1 48.9 -66.3 -49.2 8.2 30.1 101.1 61 62 A E H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 112.6 50.0 -58.9 -39.2 6.2 33.1 102.1 62 63 A Q H X S+ 0 0 26 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.918 110.3 48.5 -67.6 -41.9 6.2 32.0 105.7 63 64 A L H X S+ 0 0 79 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.939 111.9 48.6 -64.1 -46.8 9.9 31.4 105.9 64 65 A A H X S+ 0 0 5 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.937 113.0 49.7 -57.1 -45.6 10.7 34.8 104.3 65 66 A T H X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.902 109.1 50.4 -59.7 -47.3 8.3 36.4 106.8 66 67 A M H X S+ 0 0 5 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.918 114.9 45.4 -59.6 -43.5 9.8 34.7 109.8 67 68 A R H X S+ 0 0 73 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.952 111.1 47.1 -70.2 -49.3 13.3 35.8 108.8 68 69 A V H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.917 115.6 49.6 -60.8 -35.1 12.6 39.4 107.9 69 70 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.898 110.3 47.7 -69.1 -42.5 10.7 39.7 111.2 70 71 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.896 111.3 53.0 -64.2 -37.3 13.5 38.2 113.3 71 72 A G H X S+ 0 0 1 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.865 109.1 49.0 -64.0 -35.7 15.9 40.5 111.5 72 73 A L H X S+ 0 0 3 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.884 107.8 54.6 -70.6 -38.1 13.7 43.5 112.5 73 74 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 242,-0.3 0.919 105.6 52.8 -61.9 -43.7 13.6 42.3 116.1 74 75 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.953 109.2 48.9 -58.0 -48.9 17.4 42.2 116.2 75 76 A L H X S+ 0 0 3 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.901 113.0 47.0 -58.4 -43.1 17.6 45.8 114.9 76 77 A D H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.840 108.8 54.9 -67.2 -35.2 15.1 47.0 117.5 77 78 A T H X S+ 0 0 15 -4,-2.4 4,-2.8 -5,-0.2 5,-0.4 0.963 112.9 43.2 -60.8 -50.3 16.8 45.2 120.3 78 79 A I H X>S+ 0 0 7 -4,-2.3 5,-2.8 2,-0.2 4,-2.5 0.938 115.6 47.2 -59.2 -53.1 20.0 46.9 119.5 79 80 A Q H <>S+ 0 0 0 -4,-2.7 5,-2.8 3,-0.2 6,-0.4 0.917 116.9 44.3 -57.8 -44.8 18.4 50.3 119.0 80 81 A G H <5S+ 0 0 0 -4,-2.9 -2,-0.2 3,-0.2 -1,-0.2 0.874 125.1 28.0 -71.2 -41.3 16.4 50.0 122.2 81 82 A T H <5S+ 0 0 20 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.636 141.3 12.6 -98.6 -14.3 19.1 48.7 124.6 82 83 A V T X5S+ 0 0 32 -4,-2.5 4,-2.0 -5,-0.4 -3,-0.2 0.669 120.6 53.1-125.3 -50.5 22.2 50.1 122.9 83 84 A G H >>>4 S+ 0 0 34 -6,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.890 99.9 59.6 -59.0 -40.0 21.0 54.8 125.3 86 87 A S H << S+ 0 0 13 -4,-2.0 -1,-0.3 -3,-0.7 -2,-0.2 0.676 102.1 55.8 -63.9 -16.1 24.2 55.7 123.5 87 88 A L H X< S+ 0 0 0 -3,-1.4 3,-1.3 -4,-0.7 -1,-0.2 0.683 83.6 82.6 -91.1 -19.1 22.8 59.1 122.6 88 89 A L G X< S+ 0 0 8 -3,-1.0 3,-2.3 -4,-0.7 -2,-0.1 0.941 88.6 51.1 -49.9 -59.6 21.9 60.4 126.1 89 90 A P G 3 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.597 110.0 51.6 -58.2 -11.0 25.3 61.7 127.1 90 91 A D G < S+ 0 0 45 -3,-1.3 -2,-0.2 -4,-0.1 -3,-0.1 0.318 81.7 127.2-109.0 7.7 25.7 63.7 123.9 91 92 A A < - 0 0 24 -3,-2.3 3,-0.1 -4,-0.2 -3,-0.0 -0.278 52.0-149.9 -64.8 150.7 22.3 65.5 124.1 92 93 A E S S+ 0 0 114 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.708 80.6 26.1 -92.2 -26.7 22.2 69.3 123.8 93 94 A T S > S- 0 0 21 1,-0.1 4,-1.2 -68,-0.0 3,-0.3 -0.917 76.6-120.3-133.3 161.9 19.2 69.8 126.1 94 95 A M H > S+ 0 0 54 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.831 113.2 57.9 -71.6 -29.8 17.6 67.8 129.0 95 96 A H H > S+ 0 0 9 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.786 100.5 57.9 -70.1 -26.3 14.3 67.4 127.1 96 97 A E H > S+ 0 0 1 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.894 103.9 53.3 -67.8 -41.1 16.3 65.7 124.3 97 98 A E H X S+ 0 0 42 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.920 105.2 53.2 -59.7 -44.0 17.4 63.2 126.9 98 99 A A H X S+ 0 0 2 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.900 106.8 53.5 -57.3 -43.5 13.8 62.6 127.9 99 100 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 3,-0.4 0.923 104.1 54.2 -58.7 -47.2 13.0 61.8 124.3 100 101 A Y H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.3 -1,-0.2 0.844 104.7 54.5 -57.9 -35.7 15.7 59.2 124.0 101 102 A T H X S+ 0 0 2 -4,-1.6 4,-1.7 -3,-0.2 301,-0.4 0.876 109.7 48.3 -67.0 -33.9 14.3 57.4 127.0 102 103 A N H X S+ 0 0 2 -4,-1.5 4,-2.6 -3,-0.4 -2,-0.2 0.907 111.1 50.0 -70.6 -38.7 10.9 57.3 125.1 103 104 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.920 109.3 51.8 -63.7 -42.0 12.7 56.0 121.9 104 105 A A H X S+ 0 0 4 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.917 112.7 45.1 -61.1 -45.2 14.5 53.2 123.9 105 106 A F H >X S+ 0 0 0 -4,-1.7 4,-1.9 293,-0.4 3,-0.5 0.959 112.5 49.9 -64.2 -49.6 11.2 52.0 125.5 106 107 A M H 3X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.3 -1,-0.2 0.861 106.9 56.2 -59.8 -32.9 9.3 52.2 122.2 107 108 A E H 3X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.869 106.5 50.0 -65.3 -35.6 12.0 50.2 120.5 108 109 A S H X S+ 0 0 16 -4,-2.0 4,-1.9 1,-0.2 3,-0.9 0.899 98.8 66.3 -66.7 -38.8 8.2 42.6 121.6 113 114 A S H 3X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.836 95.8 56.3 -50.2 -39.7 5.5 43.0 118.9 114 115 A Y H 3X S+ 0 0 0 -4,-1.0 4,-2.9 -3,-0.4 -1,-0.3 0.870 107.0 48.8 -63.0 -36.9 7.3 40.5 116.6 115 116 A S H - 0 0 51 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.605 33.0-111.5 -91.2 157.5 5.0 27.1 115.5 124 125 A T H > S+ 0 0 75 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.852 118.7 52.5 -57.2 -37.9 7.7 26.9 118.2 125 126 A P H > S+ 0 0 72 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.905 108.7 50.2 -66.6 -40.1 10.0 25.1 115.7 126 127 A Q H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.952 113.1 46.6 -59.8 -48.3 9.5 27.9 113.2 127 128 A I H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.955 112.9 49.0 -58.9 -51.3 10.3 30.5 115.8 128 129 A N H X S+ 0 0 76 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.903 111.2 49.2 -56.5 -44.5 13.3 28.6 117.0 129 130 A E H X S+ 0 0 110 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.855 109.3 54.0 -63.7 -35.9 14.7 28.1 113.5 130 131 A A H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.919 109.3 44.9 -66.1 -45.5 14.3 31.8 112.8 131 132 A F H X S+ 0 0 12 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.859 114.1 50.8 -68.5 -32.4 16.2 33.1 115.8 132 133 A R H >X S+ 0 0 140 -4,-1.8 4,-1.8 -5,-0.3 3,-0.5 0.944 108.9 51.6 -67.5 -47.9 18.9 30.5 115.0 133 134 A W H 3X S+ 0 0 30 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.917 108.7 51.2 -54.3 -45.0 19.0 31.8 111.4 134 135 A S H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.784 107.0 53.8 -67.5 -25.5 19.4 35.3 112.7 135 136 A E H << S+ 0 0 72 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.867 118.4 35.1 -75.1 -31.6 22.3 34.3 114.9 136 137 A E H < S+ 0 0 127 -4,-1.8 2,-0.4 -3,-0.2 -2,-0.2 0.658 84.7 110.4 -97.6 -17.3 24.1 32.7 112.0 137 138 A N X - 0 0 22 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 -0.456 55.1-153.3 -66.2 117.9 23.3 35.0 109.0 138 139 A E H > S+ 0 0 128 -2,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.866 90.4 48.2 -58.6 -43.1 26.4 36.8 108.0 139 140 A N H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.958 114.1 45.6 -66.7 -47.6 24.7 39.9 106.5 140 141 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.943 116.2 45.9 -58.4 -49.2 22.4 40.4 109.4 141 142 A Q H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.858 112.0 53.4 -63.8 -35.5 25.2 40.0 111.9 142 143 A R H X S+ 0 0 88 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.890 109.2 45.7 -68.4 -41.1 27.4 42.2 109.9 143 144 A K H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.884 112.8 53.1 -71.5 -32.7 25.0 45.1 109.8 144 145 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.979 113.3 41.6 -63.1 -53.2 24.3 44.7 113.5 145 146 A K H X S+ 0 0 21 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.847 109.7 56.1 -66.1 -36.2 28.0 44.9 114.5 146 147 A I H X S+ 0 0 2 -4,-2.2 4,-1.2 1,-0.2 3,-0.2 0.975 112.2 44.7 -59.9 -48.8 28.9 47.7 112.2 147 148 A I H X S+ 0 0 2 -4,-1.8 4,-1.6 1,-0.2 3,-0.4 0.919 113.4 49.8 -60.7 -42.9 26.2 49.8 113.8 148 149 A M H X S+ 0 0 26 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.824 99.8 65.7 -68.0 -26.9 27.2 48.7 117.3 149 150 A S H < S+ 0 0 13 -4,-2.3 -1,-0.2 -3,-0.2 4,-0.2 0.895 105.5 44.4 -62.2 -36.7 30.8 49.6 116.6 150 151 A Y H >< S+ 0 0 16 -4,-1.2 3,-1.1 -3,-0.4 5,-0.3 0.927 110.5 52.2 -73.9 -42.1 29.8 53.2 116.3 151 152 A Y H 3< S+ 0 0 4 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.822 115.5 43.3 -60.2 -33.3 27.5 53.3 119.4 152 153 A N T 3< S+ 0 0 97 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.458 104.1 85.6 -92.1 -1.1 30.4 51.8 121.4 153 154 A G S < S- 0 0 31 -3,-1.1 -3,-0.1 -4,-0.2 -4,-0.0 0.128 87.1-115.2 -79.2-158.2 32.8 54.2 119.7 154 155 A D S S+ 0 0 152 1,-0.0 -3,-0.1 5,-0.0 -4,-0.1 0.314 77.7 103.0-128.2 6.5 33.5 57.7 121.0 155 156 A D > - 0 0 37 -5,-0.3 4,-1.3 1,-0.2 -2,-0.1 -0.840 49.4-164.8 -97.0 114.3 32.2 60.0 118.2 156 157 A P H > S+ 0 0 50 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.851 88.5 49.9 -64.2 -38.6 28.8 61.5 119.0 157 158 A L H > S+ 0 0 15 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.921 109.6 52.0 -69.8 -38.1 28.0 62.7 115.5 158 159 A K H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.790 103.8 57.4 -68.7 -25.6 28.9 59.2 114.1 159 160 A K H X S+ 0 0 25 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.899 108.0 48.0 -69.7 -36.3 26.5 57.6 116.6 160 161 A K H X S+ 0 0 10 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.788 109.0 53.1 -72.9 -28.7 23.7 59.8 115.2 161 162 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.961 112.2 44.1 -70.8 -48.2 24.6 58.9 111.6 162 163 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.909 113.8 51.0 -61.4 -43.6 24.5 55.2 112.3 163 164 A S H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.925 111.7 47.3 -59.3 -46.3 21.2 55.6 114.3 164 165 A T H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.866 112.7 48.2 -65.9 -37.2 19.6 57.5 111.5 165 166 A L H X>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 4,-0.8 0.831 112.7 49.2 -73.2 -30.4 20.7 55.0 108.9 166 167 A L H <>S+ 0 0 1 -4,-2.2 5,-1.0 3,-0.2 -2,-0.2 0.934 116.7 42.4 -71.0 -46.0 19.4 52.2 111.0 167 168 A E H <5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 38,-0.2 0.837 124.7 31.8 -69.6 -38.4 16.1 53.9 111.6 168 169 A S H <5S+ 0 0 7 -4,-2.6 102,-0.3 -5,-0.2 -1,-0.2 0.395 136.0 11.8-104.9 3.8 15.5 55.2 108.0 169 170 A F T >X5S+ 0 0 0 -4,-0.8 3,-0.9 -3,-0.2 4,-0.6 0.553 110.9 61.0-143.2 -52.8 17.1 52.5 105.9 170 171 A L T 34> S+ 0 0 14 -3,-0.9 4,-1.8 1,-0.3 -1,-0.2 0.807 80.8 61.4 -62.1 -32.9 13.2 48.7 105.1 173 174 A S H 3< S+ 0 0 1 -4,-0.6 4,-0.4 -3,-0.3 -1,-0.3 0.833 116.8 40.9 -61.0 -22.2 14.5 45.6 103.4 174 175 A G H X4 S+ 0 0 2 -3,-1.4 3,-0.6 -4,-0.3 -2,-0.3 0.847 108.0 56.7 -90.4 -39.1 12.3 44.1 106.1 175 176 A F H 3X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 5,-0.2 0.753 92.6 74.1 -66.6 -22.0 9.3 46.4 106.1 176 177 A Y H 3X S+ 0 0 7 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.934 89.7 57.1 -56.7 -46.7 8.8 45.6 102.4 177 178 A L H <> S+ 0 0 1 -3,-0.6 4,-2.4 -4,-0.4 5,-0.3 0.945 110.1 39.0 -54.4 -58.9 7.3 42.1 103.0 178 179 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.906 115.5 53.6 -63.7 -34.2 4.5 43.0 105.3 179 180 A M H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.932 111.9 44.9 -64.0 -40.3 3.6 46.1 103.4 180 181 A Y H X S+ 0 0 59 -4,-2.6 4,-0.8 -5,-0.2 3,-0.3 0.944 112.4 49.8 -66.4 -49.7 3.4 44.1 100.1 181 182 A L H ><>S+ 0 0 0 -4,-2.4 5,-3.1 1,-0.3 3,-0.9 0.874 108.4 55.5 -56.6 -38.9 1.3 41.3 101.6 182 183 A S H ><5S+ 0 0 16 -4,-2.3 3,-1.6 1,-0.3 -1,-0.3 0.865 102.4 55.4 -62.5 -36.9 -1.0 43.9 103.1 183 184 A S H 3<5S+ 0 0 38 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.686 107.8 50.0 -70.4 -16.6 -1.5 45.3 99.6 184 185 A R T <<5S- 0 0 123 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.148 124.2-104.9-103.5 13.9 -2.6 41.7 98.5 185 186 A A T < 5S+ 0 0 79 -3,-1.6 2,-0.4 1,-0.2 3,-0.2 0.750 79.7 131.3 67.9 27.6 -5.0 41.5 101.5 186 187 A K < - 0 0 47 -5,-3.1 -1,-0.2 1,-0.2 -2,-0.2 -0.897 69.8 -3.4-114.0 143.5 -2.8 39.2 103.5 187 188 A L S > S+ 0 0 3 -2,-0.4 4,-2.1 -137,-0.2 -1,-0.2 0.879 74.7 164.3 48.4 48.7 -1.7 39.5 107.2 188 189 A T H > S+ 0 0 57 -3,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.801 70.4 48.1 -69.2 -29.5 -3.6 42.8 107.5 189 190 A N H > S+ 0 0 27 2,-0.2 4,-1.5 1,-0.2 3,-0.2 0.920 111.0 51.5 -76.3 -40.0 -3.6 42.9 111.3 190 191 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.919 107.9 54.0 -58.3 -40.1 0.1 42.1 111.3 191 192 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.853 100.9 60.1 -63.5 -33.6 0.5 45.0 108.9 192 193 A D H X S+ 0 0 68 -4,-1.3 4,-1.4 -3,-0.2 -1,-0.2 0.886 105.8 46.6 -60.4 -41.1 -1.3 47.3 111.3 193 194 A I H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.4 3,-0.4 0.943 111.9 51.9 -65.3 -45.3 1.4 46.6 113.9 194 195 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.915 106.5 52.9 -57.4 -43.8 4.0 47.2 111.3 195 196 A R H X S+ 0 0 63 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.867 107.7 52.2 -61.1 -33.1 2.4 50.6 110.3 196 197 A L H X S+ 0 0 36 -4,-1.4 4,-1.1 -3,-0.4 -1,-0.2 0.882 109.9 48.5 -69.6 -37.7 2.6 51.6 114.0 197 198 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 3,-0.4 0.925 111.4 49.8 -68.0 -42.6 6.3 50.7 114.2 198 199 A I H X S+ 0 0 14 -4,-2.7 4,-2.5 1,-0.3 5,-0.2 0.902 104.1 58.4 -64.1 -40.0 6.9 52.7 111.0 199 200 A R H X S+ 0 0 103 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.3 0.860 112.7 42.1 -57.3 -33.5 5.1 55.7 112.4 200 201 A D H X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.4 3,-0.4 0.960 113.8 47.6 -78.0 -52.3 7.6 55.6 115.2 201 202 A E H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.805 105.9 61.3 -58.1 -34.1 10.8 54.9 113.3 202 203 A S H X S+ 0 0 68 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.941 110.0 39.8 -56.7 -51.1 9.9 57.7 110.8 203 204 A V H X S+ 0 0 17 -4,-0.9 4,-2.6 -3,-0.4 5,-0.2 0.847 113.6 54.1 -69.2 -38.2 10.0 60.3 113.6 204 205 A H H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.959 110.2 47.6 -62.2 -47.5 13.0 58.8 115.3 205 206 A G H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.915 114.1 46.5 -57.2 -48.6 15.0 59.0 112.0 206 207 A Y H X S+ 0 0 99 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.880 116.1 45.1 -60.1 -44.2 13.9 62.6 111.4 207 208 A Y H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.953 114.3 44.7 -70.2 -51.6 14.7 63.7 115.0 208 209 A I H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.864 113.9 52.2 -62.6 -33.2 18.1 62.1 115.4 209 210 A G H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.4 -1,-0.2 0.857 107.0 54.0 -67.9 -36.7 19.0 63.3 111.9 210 211 A Y H X S+ 0 0 45 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.938 108.1 47.8 -62.0 -47.7 18.0 66.8 113.0 211 212 A K H X S+ 0 0 7 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.828 109.7 55.5 -64.5 -30.6 20.3 66.7 116.1 212 213 A Y H X S+ 0 0 0 -4,-1.6 4,-3.3 -5,-0.2 5,-0.3 0.962 107.4 47.4 -64.1 -53.0 23.1 65.4 113.8 213 214 A Q H X S+ 0 0 49 -4,-2.4 4,-2.1 60,-0.2 -2,-0.2 0.882 111.7 51.3 -56.8 -41.0 22.7 68.4 111.5 214 215 A Q H < S+ 0 0 59 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.901 114.5 43.8 -63.3 -41.6 22.7 70.8 114.4 215 216 A G H >< S+ 0 0 16 -4,-1.9 3,-1.4 -5,-0.2 -2,-0.2 0.953 115.5 45.2 -69.5 -48.4 25.8 69.2 115.8 216 217 A V H >< S+ 0 0 7 -4,-3.3 3,-1.8 1,-0.3 -2,-0.2 0.789 102.1 66.8 -68.1 -27.3 27.7 69.0 112.6 217 218 A K T 3< S+ 0 0 131 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.611 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<> S+ 0 0 65 -3,-1.4 4,-2.2 2,-0.2 5,-0.2 0.862 84.0 53.3 -65.6 -34.6 -6.2 76.1 141.2 349 53 B Q H > S+ 0 0 168 -4,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.964 114.6 38.5 -64.1 -52.7 -8.9 76.9 143.8 350 54 B S H 4 S+ 0 0 18 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.811 112.7 59.9 -69.5 -28.8 -7.3 74.9 146.6 351 55 B W H >< S+ 0 0 8 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.952 107.4 43.4 -62.8 -49.3 -3.9 76.0 145.5 352 56 B N H 3< S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.785 107.8 61.2 -68.1 -24.9 -4.7 79.6 146.0 353 57 B K T 3< S+ 0 0 153 -4,-1.4 -1,-0.3 -5,-0.2 2,-0.2 0.585 87.5 100.8 -75.1 -10.5 -6.4 78.7 149.3 354 58 B M S < S- 0 0 8 -3,-1.3 -3,-0.0 -4,-0.5 -4,-0.0 -0.544 80.3-109.6 -80.7 142.8 -3.0 77.4 150.5 355 59 B T > - 0 0 54 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.200 29.5-107.3 -65.8 156.8 -0.8 79.4 152.8 356 60 B P H > S+ 0 0 101 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.866 122.1 52.4 -52.7 -37.7 2.5 80.9 151.6 357 61 B Q H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.878 109.3 48.7 -67.7 -38.6 4.4 78.3 153.6 358 62 B E H > S+ 0 0 20 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.982 112.2 46.6 -65.4 -56.0 2.4 75.5 152.0 359 63 B Q H X S+ 0 0 33 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.912 113.7 50.0 -52.9 -43.9 2.9 76.7 148.4 360 64 B L H X S+ 0 0 83 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.911 111.4 48.0 -62.2 -41.9 6.6 77.3 149.1 361 65 B A H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.895 111.1 50.4 -64.6 -42.7 6.9 73.8 150.6 362 66 B T H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.925 109.0 52.7 -61.6 -45.1 5.1 72.2 147.7 363 67 B M H X S+ 0 0 5 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.910 114.4 40.9 -58.4 -45.0 7.4 74.0 145.2 364 68 B R H X S+ 0 0 78 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.842 114.9 49.4 -75.9 -32.6 10.6 72.8 146.8 365 69 B V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.884 112.2 48.9 -72.3 -38.5 9.5 69.3 147.5 366 70 B F H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.813 109.7 52.3 -70.4 -30.1 8.3 68.9 143.9 367 71 B T H X S+ 0 0 0 -4,-1.3 4,-1.9 -5,-0.3 -1,-0.2 0.847 108.7 50.3 -73.9 -33.9 11.5 70.2 142.6 368 72 B G H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.850 112.8 46.3 -70.1 -36.6 13.4 67.7 144.7 369 73 B L H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.923 109.9 53.8 -68.7 -47.4 11.2 64.9 143.4 370 74 B T H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -352,-0.4 0.914 108.1 51.7 -53.9 -44.2 11.7 66.2 139.8 371 75 B L H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.889 108.7 50.0 -62.9 -39.2 15.4 66.1 140.4 372 76 B L H X S+ 0 0 1 -4,-1.5 4,-2.9 1,-0.2 -2,-0.2 0.951 110.9 46.9 -65.8 -48.9 15.4 62.5 141.6 373 77 B D H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.803 108.6 58.0 -61.5 -29.6 13.3 61.1 138.6 374 78 B T H X S+ 0 0 9 -4,-1.7 4,-2.5 -5,-0.3 -1,-0.2 0.948 110.8 41.7 -65.6 -46.8 15.6 63.1 136.3 375 79 B I H X>S+ 0 0 5 -4,-1.8 5,-2.8 2,-0.2 4,-1.6 0.907 117.8 47.6 -64.2 -45.1 18.6 61.2 137.7 376 80 B Q H <>S+ 0 0 0 -4,-2.9 5,-2.2 3,-0.2 6,-0.5 0.940 115.9 43.4 -65.7 -44.5 16.7 57.9 137.7 377 81 B G H <5S+ 0 0 0 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.878 124.5 31.1 -70.1 -38.6 15.4 58.3 134.2 378 82 B T H <5S+ 0 0 20 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.507 140.8 6.6-101.4 -2.3 18.5 59.5 132.4 379 83 B V T X5S+ 0 0 36 -4,-1.6 4,-1.8 -5,-0.2 -3,-0.2 0.537 118.8 56.0-142.6 -43.3 21.2 57.8 134.5 380 84 B G H >>>4 S+ 0 0 27 -6,-0.5 3,-0.9 1,-0.3 -1,-0.3 0.873 99.9 56.4 -63.0 -37.5 20.1 53.2 132.3 383 87 B S H << S+ 0 0 15 -4,-1.8 -1,-0.3 -3,-0.7 4,-0.2 0.680 100.4 63.2 -69.9 -13.3 23.1 52.2 134.3 384 88 B L H X< S+ 0 0 0 -3,-1.0 3,-1.2 -4,-0.8 -1,-0.2 0.780 82.4 79.6 -81.4 -25.2 21.3 49.0 135.1 385 89 B L G X< S+ 0 0 10 -3,-0.9 3,-2.1 -4,-0.7 -1,-0.1 0.888 84.5 56.4 -47.1 -57.7 21.1 47.7 131.5 386 90 B P G 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.705 110.6 46.0 -51.8 -25.7 24.7 46.3 131.1 387 91 B D G < S+ 0 0 50 -3,-1.2 -2,-0.2 -4,-0.2 -3,-0.1 0.295 79.3 131.6-105.2 10.8 24.3 44.0 134.2 388 92 B A < - 0 0 21 -3,-2.1 3,-0.1 -4,-0.2 -3,-0.0 -0.260 51.1-145.5 -62.8 151.1 20.9 42.6 133.4 389 93 B E S S+ 0 0 128 1,-0.1 2,-0.3 -67,-0.0 -1,-0.1 0.769 82.9 26.2 -86.5 -30.1 20.6 38.8 133.8 390 94 B T S > S- 0 0 18 1,-0.1 4,-1.2 -68,-0.0 3,-0.5 -0.909 76.9-122.5-130.6 157.1 18.0 38.4 130.9 391 95 B M H > S+ 0 0 44 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.812 113.1 61.8 -68.8 -27.7 17.3 40.5 127.9 392 96 B H H > S+ 0 0 9 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.792 99.2 55.8 -67.5 -29.1 13.7 40.9 129.1 393 97 B E H > S+ 0 0 2 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.889 104.6 52.2 -68.3 -41.0 15.1 42.6 132.1 394 98 B E H X S+ 0 0 43 -4,-1.2 4,-1.3 1,-0.2 -2,-0.2 0.877 107.0 53.4 -63.8 -35.5 16.8 45.1 129.8 395 99 B A H X S+ 0 0 2 -4,-1.6 4,-1.3 1,-0.2 3,-0.4 0.914 107.3 51.2 -64.6 -42.7 13.5 45.7 128.1 396 100 B V H >X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 3,-0.5 0.924 105.4 55.7 -60.0 -45.4 11.9 46.5 131.5 397 101 B Y H 3X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.829 102.4 55.9 -59.3 -30.2 14.7 49.0 132.3 398 102 B T H 3X S+ 0 0 3 -4,-1.3 4,-1.9 -3,-0.4 -293,-0.4 0.876 107.5 49.6 -70.8 -32.4 13.9 50.9 129.1 399 103 B N H X S+ 0 0 0 -4,-1.9 4,-1.8 -301,-0.4 3,-1.0 0.960 112.0 48.0 -61.8 -55.3 10.9 56.4 130.1 403 107 B M H 3X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.3 -1,-0.2 0.817 105.1 60.4 -58.0 -29.9 8.4 56.4 132.9 404 108 B E H 3X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.3 0.863 105.7 49.5 -64.5 -33.1 10.9 58.3 135.1 405 109 B S H - 0 0 52 1,-0.1 4,-2.5 -2,-0.0 3,-0.3 -0.695 34.3-106.3 -98.9 155.5 3.9 81.6 138.6 421 125 B T H > S+ 0 0 78 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.866 120.8 51.3 -50.2 -40.9 7.1 81.7 136.6 422 126 B P H > S+ 0 0 75 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.920 107.7 50.4 -66.0 -42.0 9.0 83.3 139.5 423 127 B Q H > S+ 0 0 46 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.950 114.2 48.2 -58.2 -44.2 7.8 80.7 142.0 424 128 B I H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.928 112.0 46.3 -63.1 -47.5 9.1 78.1 139.4 425 129 B N H X S+ 0 0 78 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.945 113.6 49.2 -63.0 -43.4 12.4 79.8 138.8 426 130 B E H X S+ 0 0 120 -4,-2.9 4,-3.4 1,-0.2 -2,-0.2 0.911 108.2 54.3 -61.5 -41.8 13.0 80.2 142.5 427 131 B A H X S+ 0 0 3 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.938 111.7 43.6 -57.5 -48.1 12.1 76.6 143.2 428 132 B F H X S+ 0 0 10 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.826 113.5 51.4 -68.2 -31.1 14.7 75.3 140.7 429 133 B R H >X S+ 0 0 152 -4,-2.1 4,-1.5 -5,-0.2 3,-0.7 0.942 109.9 51.3 -68.1 -45.4 17.2 77.8 142.0 430 134 B W H 3X S+ 0 0 26 -4,-3.4 4,-1.9 1,-0.2 3,-0.4 0.914 107.6 51.3 -56.6 -46.9 16.5 76.5 145.5 431 135 B S H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.721 108.7 51.9 -66.9 -20.7 17.0 72.8 144.4 432 136 B E H << S+ 0 0 58 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.796 116.5 39.0 -83.9 -27.7 20.4 73.6 142.8 433 137 B E H < S+ 0 0 110 -4,-1.5 2,-0.7 -3,-0.4 -2,-0.2 0.637 85.7 107.4 -95.8 -19.5 21.7 75.3 145.9 434 138 B N X - 0 0 9 -4,-1.9 4,-2.3 -5,-0.2 3,-0.5 -0.503 56.6-156.5 -69.7 110.4 20.3 73.1 148.6 435 139 B E H > S+ 0 0 106 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.813 89.0 53.3 -55.6 -36.7 23.2 71.1 150.0 436 140 B N H > S+ 0 0 3 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.889 111.7 45.6 -70.5 -35.1 21.1 68.2 151.3 437 141 B L H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.920 113.7 47.4 -71.9 -43.4 19.5 67.6 147.9 438 142 B Q H X S+ 0 0 15 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.873 109.6 58.1 -64.7 -32.8 22.7 67.9 146.0 439 143 B R H X S+ 0 0 85 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.895 109.0 40.0 -63.5 -46.7 24.3 65.5 148.5 440 144 B K H X S+ 0 0 2 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.867 115.1 54.4 -73.0 -33.7 21.8 62.6 148.0 441 145 B A H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.941 112.7 42.9 -63.3 -45.0 21.8 63.2 144.3 442 146 B K H X S+ 0 0 19 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.789 111.8 51.7 -74.4 -28.0 25.6 63.0 144.2 443 147 B I H X S+ 0 0 2 -4,-1.8 4,-1.1 2,-0.2 3,-0.2 0.951 112.6 47.2 -69.9 -49.1 25.9 60.0 146.5 444 148 B I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.897 113.9 48.2 -57.3 -42.6 23.4 58.1 144.3 445 149 B M H X S+ 0 0 25 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.796 99.0 64.8 -73.3 -26.2 25.2 59.2 141.1 446 150 B S H < S+ 0 0 14 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.877 109.1 43.5 -63.3 -31.4 28.7 58.2 142.4 447 151 B Y H >< S+ 0 0 17 -4,-1.1 3,-1.7 -3,-0.3 -2,-0.2 0.928 109.3 52.8 -78.9 -47.0 27.3 54.6 142.4 448 152 B Y H 3< S+ 0 0 7 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.835 115.8 44.9 -57.1 -29.0 25.4 54.7 139.0 449 153 B N T 3< S+ 0 0 99 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.449 101.3 87.5 -92.9 -2.0 28.8 55.9 137.6 450 154 B G S < S- 0 0 24 -3,-1.7 -3,-0.1 2,-0.1 -4,-0.0 0.034 83.7-117.0 -80.8-164.3 30.8 53.3 139.5 451 155 B D S S+ 0 0 158 1,-0.0 -4,-0.1 5,-0.0 -3,-0.1 0.396 80.0 101.8-118.8 3.9 31.7 49.8 138.3 452 156 B D > - 0 0 38 -5,-0.2 4,-1.6 1,-0.2 3,-0.4 -0.776 51.1-166.1 -94.5 104.9 29.9 47.7 140.9 453 157 B P H > S+ 0 0 44 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.853 86.5 52.7 -56.9 -40.8 26.6 46.4 139.6 454 158 B L H > S+ 0 0 17 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.859 107.5 52.8 -69.0 -29.9 25.2 45.3 142.9 455 159 B K H > S+ 0 0 37 -3,-0.4 4,-2.7 1,-0.2 5,-0.3 0.856 103.8 56.9 -72.4 -32.7 25.8 48.8 144.4 456 160 B K H X S+ 0 0 22 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.915 107.8 47.6 -64.1 -38.3 23.9 50.3 141.5 457 161 B K H X S+ 0 0 11 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.840 112.5 48.5 -71.1 -34.8 20.9 48.2 142.3 458 162 B V H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.978 113.3 46.8 -65.1 -59.2 21.1 49.1 146.1 459 163 B A H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.884 115.4 47.9 -48.8 -44.6 21.4 52.8 145.3 460 164 B S H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.885 111.8 47.7 -68.1 -39.6 18.6 52.5 142.8 461 165 B T H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.859 111.5 51.0 -69.7 -34.6 16.2 50.6 145.2 462 166 B L H X>S+ 0 0 0 -4,-2.9 5,-2.1 2,-0.2 4,-1.2 0.871 111.8 47.5 -71.8 -33.8 16.9 53.1 148.0 463 167 B L H <>S+ 0 0 0 -4,-1.7 5,-0.8 -5,-0.3 -2,-0.2 0.911 116.6 44.2 -70.5 -40.0 16.1 56.0 145.7 464 168 B E H <5S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 38,-0.2 0.872 125.5 28.9 -72.1 -41.7 12.9 54.2 144.6 465 169 B S H <5S+ 0 0 6 -4,-2.9 102,-0.3 -5,-0.1 -1,-0.2 0.440 136.7 14.1-104.4 2.0 11.6 53.0 147.9 466 170 B F T ><5S+ 0 0 0 -4,-1.2 3,-1.1 -5,-0.2 4,-0.5 0.578 109.9 59.8-136.4 -61.2 13.0 55.7 150.3 467 171 B L T 3 > S+ 0 0 16 -3,-1.1 4,-1.7 1,-0.3 -1,-0.2 0.718 78.8 64.8 -59.0 -28.6 9.1 59.8 150.3 470 174 B S H 34 S+ 0 0 1 -4,-0.5 4,-0.4 -3,-0.3 -1,-0.3 0.876 115.3 40.2 -59.8 -30.4 10.2 62.9 152.2 471 175 B G H X4 S+ 0 0 0 -3,-1.6 3,-0.7 -4,-0.3 -2,-0.3 0.873 107.8 56.7 -83.4 -42.3 8.5 64.5 149.2 472 176 B F H 3X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 5,-0.2 0.758 94.1 74.0 -63.8 -21.7 5.5 62.2 148.7 473 177 B Y H 3X S+ 0 0 2 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.2 0.920 90.3 54.5 -55.7 -47.5 4.4 63.1 152.2 474 178 B L H <> S+ 0 0 0 -3,-0.7 4,-2.6 -4,-0.4 -1,-0.2 0.879 108.6 44.7 -58.4 -47.9 3.2 66.6 151.4 475 179 B P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.865 114.9 50.9 -67.2 -34.6 0.8 65.8 148.6 476 180 B M H X S+ 0 0 0 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.907 111.8 46.6 -69.0 -39.8 -0.6 62.9 150.7 477 181 B Y H < S+ 0 0 40 -4,-2.7 3,-0.4 -5,-0.2 4,-0.2 0.952 113.2 50.2 -65.6 -46.4 -1.1 65.2 153.7 478 182 B L H ><>S+ 0 0 0 -4,-2.6 5,-3.1 1,-0.2 3,-1.1 0.838 106.7 51.3 -62.3 -38.3 -2.7 67.9 151.6 479 183 B S H ><5S+ 0 0 19 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.785 101.5 61.2 -74.5 -21.8 -5.3 65.7 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-2,-0.2 0.743 113.4 46.2 -61.8 -21.5 18.3 27.3 66.8 714 121 C T H << S+ 0 0 53 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.861 127.8 18.8 -88.5 -38.3 21.6 26.7 65.1 715 122 C L H < S+ 0 0 22 -4,-2.2 2,-0.2 -5,-0.1 -3,-0.2 0.807 109.3 64.6-105.8 -34.6 21.0 27.8 61.6 716 123 C A S < S- 0 0 16 -4,-2.3 2,-0.1 -5,-0.4 -60,-0.0 -0.562 73.0-113.5 -99.8 160.7 17.9 30.1 61.4 717 124 C S > - 0 0 54 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.450 34.5-111.1 -80.2 157.7 16.9 33.5 62.7 718 125 C T H > S+ 0 0 72 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.837 119.2 54.6 -59.6 -35.3 14.1 33.8 65.3 719 126 C P H > S+ 0 0 77 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.884 107.3 50.2 -65.9 -39.3 11.9 35.5 62.7 720 127 C Q H > S+ 0 0 44 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.878 112.3 48.8 -64.5 -37.9 12.4 32.6 60.3 721 128 C I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.939 111.9 46.6 -67.0 -48.5 11.5 30.2 63.2 722 129 C N H X S+ 0 0 81 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.881 112.3 51.8 -63.9 -35.8 8.4 32.1 64.1 723 130 C E H X S+ 0 0 124 -4,-2.3 4,-2.7 2,-0.2 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5,-0.2 0.917 113.9 46.1 -71.0 -41.5 -2.8 20.4 54.0 734 141 C L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.948 115.9 46.6 -67.0 -42.8 -0.6 20.0 57.0 735 142 C Q H X S+ 0 0 11 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.882 112.8 50.6 -64.3 -38.9 -3.5 20.7 59.4 736 143 C R H X S+ 0 0 106 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.936 110.3 47.5 -66.6 -47.4 -5.8 18.3 57.5 737 144 C K H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.921 113.9 49.3 -62.0 -39.0 -3.3 15.5 57.5 738 145 C A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.920 113.9 44.9 -64.5 -41.6 -2.7 16.1 61.3 739 146 C K H X S+ 0 0 20 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.817 109.0 55.3 -73.6 -30.7 -6.5 16.1 62.0 740 147 C I H X S+ 0 0 1 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.943 112.7 42.9 -65.8 -47.3 -7.3 13.1 59.9 741 148 C I H >X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 3,-0.7 0.948 113.7 51.0 -64.4 -50.1 -4.7 11.1 61.9 742 149 C M H 3X S+ 0 0 27 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.787 99.2 66.0 -58.3 -27.5 -5.8 12.5 65.2 743 150 C S H 3< S+ 0 0 13 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.913 106.7 41.7 -63.3 -38.4 -9.4 11.6 64.4 744 151 C Y H X< S+ 0 0 14 -4,-1.1 3,-1.5 -3,-0.7 5,-0.3 0.899 109.3 57.1 -75.1 -37.4 -8.6 7.9 64.5 745 152 C Y H 3< S+ 0 0 6 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.809 112.3 44.5 -60.3 -28.1 -6.3 8.3 67.6 746 153 C N T 3< S+ 0 0 96 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.429 101.3 88.2 -96.2 -0.5 -9.3 9.7 69.4 747 154 C G S < S- 0 0 32 -3,-1.5 -3,-0.1 -4,-0.2 6,-0.0 -0.163 83.6-117.0 -84.5-173.4 -11.7 7.1 68.0 748 155 C D S S+ 0 0 150 -2,-0.0 -3,-0.1 1,-0.0 -4,-0.1 0.312 80.6 101.8-110.2 6.8 -12.5 3.7 69.6 749 156 C D > - 0 0 33 -5,-0.3 4,-1.4 1,-0.2 3,-0.2 -0.820 51.4-166.4 -97.8 105.8 -11.2 1.4 66.9 750 157 C P H > S+ 0 0 48 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.800 85.9 51.8 -58.2 -35.7 -7.8 -0.0 67.9 751 158 C L H > S+ 0 0 18 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.890 106.4 53.6 -73.2 -36.3 -6.9 -1.4 64.5 752 159 C K H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.837 104.6 56.4 -66.7 -30.8 -7.6 1.9 62.7 753 160 C K H X S+ 0 0 19 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.870 106.6 49.6 -67.4 -34.6 -5.2 3.6 65.2 754 161 C K H X S+ 0 0 11 -4,-1.1 4,-2.0 -3,-0.2 -2,-0.2 0.828 111.0 49.5 -72.2 -31.5 -2.5 1.2 64.1 755 162 C V H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.954 112.1 47.3 -69.4 -49.3 -3.2 1.9 60.4 756 163 C A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.939 114.7 47.5 -55.9 -50.2 -3.1 5.7 61.0 757 164 C S H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.882 113.3 46.8 -60.5 -42.0 0.1 5.4 63.0 758 165 C T H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.880 111.8 49.9 -70.5 -37.7 1.9 3.1 60.4 759 166 C L H X>S+ 0 0 0 -4,-2.7 5,-2.1 2,-0.2 4,-1.3 0.842 111.7 50.6 -70.6 -29.1 0.9 5.3 57.5 760 167 C L H <>S+ 0 0 0 -4,-1.8 5,-2.1 -5,-0.3 6,-0.3 0.967 116.4 39.2 -70.6 -48.6 2.2 8.3 59.5 761 168 C E H <>S+ 0 0 0 -4,-2.4 5,-0.8 1,-0.2 -2,-0.2 0.903 126.9 32.9 -67.3 -45.7 5.6 6.6 60.2 762 169 C S H <5S+ 0 0 8 -4,-3.0 102,-0.3 -5,-0.2 -1,-0.2 0.575 135.6 16.9 -92.3 -10.4 6.1 4.9 56.8 763 170 C F T X5S+ 0 0 0 -4,-1.3 4,-0.8 -5,-0.3 -3,-0.2 0.700 121.3 43.6-125.6 -57.2 4.5 7.4 54.5 764 171 C L H >>< S+ 0 0 2 -4,-0.8 3,-1.9 1,-0.2 -1,-0.3 0.955 100.1 51.6 -73.9 -48.8 8.2 11.8 52.6 768 175 C G H << S+ 0 0 9 -3,-2.5 3,-0.5 -4,-0.8 -2,-0.2 0.536 92.3 77.2 -64.4 -9.3 9.6 14.9 54.2 769 176 C F T 3X S+ 0 0 0 -4,-0.7 4,-1.6 1,-0.2 -1,-0.3 0.577 72.9 84.9 -77.7 -8.1 12.9 13.3 54.5 770 177 C Y H <> S+ 0 0 9 -3,-1.9 4,-2.7 1,-0.2 5,-0.2 0.932 84.1 53.9 -58.1 -50.1 13.4 13.9 50.8 771 178 C L H > S+ 0 0 0 -3,-0.5 4,-2.5 1,-0.2 5,-0.2 0.910 110.5 42.0 -54.5 -53.1 14.8 17.4 51.3 772 179 C P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.863 115.8 51.0 -66.7 -32.0 17.6 16.7 53.8 773 180 C M H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.933 112.4 45.3 -69.9 -44.0 18.7 13.6 51.9 774 181 C Y H X S+ 0 0 55 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.942 114.0 48.5 -64.5 -46.3 18.8 15.4 48.6 775 182 C L H ><>S+ 0 0 1 -4,-2.5 5,-2.4 1,-0.2 3,-1.6 0.932 110.7 53.1 -56.2 -45.5 20.7 18.4 50.1 776 183 C S H ><5S+ 0 0 20 -4,-2.4 3,-2.1 1,-0.3 -1,-0.2 0.877 102.9 55.4 -55.2 -45.1 23.0 15.8 51.7 777 184 C S H 3<5S+ 0 0 42 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.607 109.8 49.1 -66.6 -11.4 23.7 14.2 48.3 778 185 C R T <<5S- 0 0 129 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.215 123.4-107.5-107.8 6.8 24.7 17.7 47.2 779 186 C A T < 5S+ 0 0 74 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.803 78.0 131.8 70.0 31.0 27.0 18.2 50.3 780 187 C K S S+ 0 0 2 -2,-0.4 4,-2.1 -137,-0.3 -1,-0.2 0.881 74.3 165.5 51.3 48.5 23.6 20.3 55.6 782 189 C T H > S+ 0 0 62 1,-0.2 4,-0.8 -3,-0.2 -1,-0.1 0.783 71.8 49.4 -66.9 -28.1 25.5 17.0 56.1 783 190 C N H > S+ 0 0 30 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.825 108.5 53.4 -79.8 -31.1 25.3 17.1 59.9 784 191 C T H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.925 103.3 58.7 -65.2 -42.2 21.6 17.7 59.8 785 192 C A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.831 100.9 55.6 -56.7 -32.6 21.3 14.7 57.6 786 193 C D H X S+ 0 0 71 -4,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.889 106.0 49.7 -69.0 -37.7 22.9 12.5 60.4 787 194 C I H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.4 -2,-0.2 0.957 111.8 50.8 -62.6 -43.7 20.2 13.7 62.8 788 195 C I H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.886 107.9 51.3 -61.7 -39.7 17.7 12.7 60.1 789 196 C R H X S+ 0 0 72 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.910 109.6 50.0 -65.3 -39.6 19.3 9.2 59.6 790 197 C L H X S+ 0 0 20 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.908 112.2 48.9 -63.3 -40.3 19.1 8.7 63.4 791 198 C I H >X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 3,-1.0 0.956 111.2 48.7 -62.5 -49.4 15.4 9.7 63.2 792 199 C I H 3X S+ 0 0 12 -4,-3.1 4,-2.4 1,-0.3 5,-0.3 0.838 102.7 62.1 -59.6 -34.4 14.8 7.4 60.3 793 200 C R H 3X S+ 0 0 96 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.3 0.816 112.0 39.4 -63.4 -26.8 16.5 4.5 62.1 794 201 C D H XX S+ 0 0 1 -3,-1.0 4,-2.6 -4,-0.9 3,-0.6 0.938 113.2 52.1 -85.4 -51.0 13.7 4.9 64.8 795 202 C E H 3X S+ 0 0 1 -4,-2.6 4,-3.2 1,-0.3 5,-0.2 0.813 106.0 55.1 -56.7 -34.9 10.8 5.5 62.5 796 203 C S H 3X S+ 0 0 53 -4,-2.4 4,-2.1 2,-0.2 -1,-0.3 0.885 110.8 45.1 -68.8 -35.8 11.5 2.5 60.4 797 204 C V H < S+ 0 0 23 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.958 114.0 44.3 -67.1 -51.3 -4.9 -8.1 65.3 810 217 C V H >< S+ 0 0 1 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.851 103.0 64.4 -65.5 -34.8 -6.6 -8.2 61.9 811 218 C K T 3< S+ 0 0 123 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.717 94.7 64.8 -61.5 -15.7 -5.7 -11.8 61.2 812 219 C K T < S+ 0 0 131 -3,-1.2 -1,-0.3 -4,-0.4 2,-0.3 -0.049 91.4 89.3 -95.5 30.1 -7.8 -12.6 64.2 813 220 C L S < S- 0 0 45 -3,-1.4 -3,-0.0 1,-0.1 5,-0.0 -0.854 84.7 -91.3-126.0 162.7 -11.0 -11.4 62.4 814 221 C S > - 0 0 62 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.225 45.0-104.6 -64.8 161.6 -13.7 -12.9 60.1 815 222 C E H > S+ 0 0 142 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.930 121.9 53.3 -52.8 -49.2 -13.1 -12.8 56.4 816 223 C A H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 110.0 46.6 -52.9 -49.2 -15.6 -10.0 56.0 817 224 C E H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.866 110.4 52.5 -64.8 -37.1 -14.0 -7.9 58.7 818 225 C Q H X S+ 0 0 53 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.884 109.4 50.3 -67.1 -36.4 -10.5 -8.4 57.2 819 226 C E H X S+ 0 0 111 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.927 109.9 51.0 -66.1 -41.5 -11.9 -7.3 53.8 820 227 C E H X S+ 0 0 130 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.846 108.9 49.5 -65.0 -35.8 -13.3 -4.2 55.5 821 228 C Y H X S+ 0 0 35 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.840 109.5 52.7 -73.5 -29.8 -10.1 -3.2 57.2 822 229 C K H X S+ 0 0 67 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.945 110.7 46.6 -67.8 -45.8 -8.2 -3.6 53.9 823 230 C A H X S+ 0 0 55 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.888 112.3 51.3 -62.0 -38.9 -10.7 -1.3 52.1 824 231 C Y H X S+ 0 0 16 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.913 109.8 50.8 -63.8 -40.8 -10.4 1.2 55.0 825 232 C T H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.964 112.4 43.2 -63.3 -53.1 -6.6 1.1 54.7 826 233 C F H X S+ 0 0 14 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.891 113.1 54.4 -61.8 -36.6 -6.5 1.8 51.0 827 234 C D H X S+ 0 0 92 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.926 109.5 46.0 -60.9 -47.8 -9.2 4.5 51.4 828 235 C L H X S+ 0 0 3 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.906 113.3 51.2 -62.1 -40.9 -7.2 6.3 54.1 829 236 C M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.920 107.3 52.2 -64.3 -41.5 -4.1 6.0 51.9 830 237 C Y H X S+ 0 0 108 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.961 113.7 44.6 -60.4 -44.4 -5.9 7.4 48.9 831 238 C D H X S+ 0 0 39 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.906 114.0 46.9 -66.9 -41.8 -7.0 10.4 51.0 832 239 C L H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.911 113.2 50.5 -66.2 -39.6 -3.6 11.0 52.6 833 240 C Y H X S+ 0 0 42 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.938 109.5 49.2 -63.9 -48.2 -1.9 10.7 49.2 834 241 C E H X S+ 0 0 134 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.919 116.2 43.7 -57.1 -44.3 -4.2 13.2 47.5 835 242 C N H X S+ 0 0 6 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.909 112.6 52.4 -67.4 -41.7 -3.6 15.6 50.3 836 243 C E H X S+ 0 0 4 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.836 101.9 60.6 -64.5 -32.4 0.1 15.0 50.3 837 244 C I H X S+ 0 0 27 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.942 109.6 41.3 -59.4 -48.5 0.3 15.7 46.6 838 245 C E H X S+ 0 0 91 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.873 112.4 54.9 -69.1 -37.3 -1.0 19.2 47.1 839 246 C Y H X S+ 0 0 14 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.922 111.2 46.8 -59.7 -42.9 1.2 19.6 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D T H <5S+ 0 0 25 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.664 138.8 8.1-100.3 -15.4 1.3 3.0 81.4 973 83 D V T X5S+ 0 0 37 -4,-2.3 4,-2.1 -5,-0.3 -3,-0.2 0.679 119.4 51.7-128.8 -52.1 -1.4 5.1 83.1 974 84 D G H >>44 S+ 0 0 25 -6,-0.5 3,-1.2 1,-0.2 -1,-0.3 0.870 101.8 57.3 -66.6 -36.3 0.2 9.4 80.5 977 87 D S H << S+ 0 0 15 -4,-2.1 -1,-0.2 -3,-0.7 4,-0.2 0.697 101.5 61.0 -69.8 -13.9 -3.0 10.6 82.3 978 88 D L T << S+ 0 0 0 -4,-1.1 3,-0.5 -3,-0.7 -1,-0.2 0.592 80.3 86.5 -86.3 -13.7 -1.2 13.9 82.9 979 89 D L S X S+ 0 0 10 -3,-1.2 3,-1.5 -4,-0.4 -1,-0.2 0.890 81.7 54.5 -54.3 -50.8 -0.7 14.8 79.2 980 90 D P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.808 109.1 48.0 -56.4 -34.8 -4.1 16.5 78.5 981 91 D D T 3 S+ 0 0 49 -3,-0.5 -2,-0.2 -4,-0.2 -3,-0.1 0.223 77.6 134.7 -94.9 12.3 -3.7 19.0 81.3 982 92 D A < - 0 0 18 -3,-1.5 3,-0.1 1,-0.2 -3,-0.0 -0.324 48.5-150.0 -62.1 142.5 -0.2 20.2 80.6 983 93 D E S S+ 0 0 124 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.795 82.3 26.3 -82.0 -27.7 0.3 23.9 80.7 984 94 D T S > S- 0 0 25 1,-0.1 4,-1.1 -68,-0.0 -1,-0.1 -0.917 74.3-125.6-131.8 159.3 3.1 23.8 78.1 985 95 D M H > S+ 0 0 48 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.795 111.9 60.7 -71.8 -28.8 4.0 21.4 75.3 986 96 D H H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 101.5 54.9 -64.7 -36.6 7.5 21.0 76.7 987 97 D E H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.881 105.0 52.0 -63.1 -38.2 5.8 19.6 79.8 988 98 D E H X S+ 0 0 39 -4,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.917 107.9 52.6 -64.8 -41.1 4.0 17.0 77.7 989 99 D A H X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.905 106.9 52.9 -59.6 -42.4 7.4 16.1 76.3 990 100 D V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.903 106.1 53.0 -60.4 -42.1 8.7 15.6 79.8 991 101 D Y H X S+ 0 0 1 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.875 103.3 55.9 -63.2 -38.5 5.8 13.3 80.6 992 102 D T H X S+ 0 0 1 -4,-1.8 4,-1.9 1,-0.2 -293,-0.4 0.880 109.3 48.7 -63.1 -32.7 6.6 11.0 77.6 993 103 D N H X S+ 0 0 2 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.921 110.8 49.8 -69.2 -41.1 10.1 10.7 79.1 994 104 D I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.948 108.6 52.4 -61.8 -46.8 8.7 9.9 82.5 995 105 D A H X S+ 0 0 1 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.917 113.0 44.7 -54.0 -47.9 6.4 7.2 81.0 996 106 D F H >X S+ 0 0 0 -4,-1.9 4,-1.8 -301,-0.4 3,-0.5 0.942 112.1 50.4 -63.5 -47.7 9.4 5.5 79.2 997 107 D M H 3X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.882 105.0 58.1 -61.5 -33.0 11.7 5.7 82.3 998 108 D E H 3X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.861 106.0 49.9 -61.4 -36.5 8.9 4.2 84.5 999 109 D S H X S+ 0 0 2 -4,-2.4 4,-1.0 1,-0.2 3,-0.9 0.936 110.8 49.9 -63.5 -42.8 9.8 -1.8 86.0 1003 113 D K H >X S+ 0 0 13 -4,-2.5 4,-1.9 1,-0.2 3,-0.6 0.895 100.5 68.0 -62.7 -34.8 12.0 -3.8 83.7 1004 114 D S H 3X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.3 -1,-0.2 0.806 95.8 53.0 -52.1 -35.9 14.9 -3.3 86.2 1005 115 D Y H X S+ 0 0 1 -4,-1.4 4,-2.7 -5,-0.2 3,-0.7 0.941 114.6 45.3 -69.9 -50.1 17.3 -8.4 89.2 1009 119 D F H 3X S+ 0 0 4 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.906 111.6 51.3 -59.4 -45.0 14.9 -11.3 89.6 1010 120 D M H 3< S+ 0 0 92 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.683 115.9 43.5 -70.3 -14.9 16.1 -13.1 86.6 1011 121 D T H << S+ 0 0 54 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.822 129.1 21.4 -94.8 -38.8 19.6 -12.8 87.8 1012 122 D L H < S+ 0 0 20 -4,-2.7 -3,-0.2 -5,-0.1 2,-0.2 0.867 108.3 61.8-100.9 -43.2 19.0 -13.7 91.5 1013 123 D A S < S- 0 0 16 -4,-1.8 2,-0.1 -5,-0.3 -68,-0.0 -0.509 73.2-114.9 -96.2 159.5 15.9 -15.6 92.1 1014 124 D S > - 0 0 53 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.418 36.5-109.0 -79.0 161.2 14.6 -19.0 91.0 1015 125 D T H > S+ 0 0 72 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.881 118.9 54.7 -63.0 -34.7 11.5 -19.0 88.8 1016 126 D P H > S+ 0 0 73 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.897 107.9 50.3 -65.6 -37.0 9.3 -20.4 91.5 1017 127 D Q H > S+ 0 0 41 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.930 111.1 49.4 -63.2 -44.5 10.3 -17.5 93.8 1018 128 D I H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.943 112.0 47.5 -59.8 -48.9 9.5 -15.1 91.0 1019 129 D N H X S+ 0 0 61 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.924 110.3 51.4 -58.7 -47.3 6.1 -16.7 90.4 1020 130 D E H X S+ 0 0 114 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.824 109.4 53.3 -60.0 -31.2 5.2 -16.7 94.1 1021 131 D A H X S+ 0 0 4 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.940 111.6 41.5 -71.2 -48.4 6.1 -13.0 94.2 1022 132 D F H X S+ 0 0 15 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.889 114.9 53.1 -66.9 -37.1 3.9 -11.8 91.4 1023 133 D R H >X S+ 0 0 125 -4,-2.6 3,-0.8 -5,-0.2 4,-0.6 0.938 108.8 49.6 -60.4 -48.8 1.1 -14.1 92.7 1024 134 D W H >X S+ 0 0 34 -4,-2.1 4,-1.4 1,-0.2 3,-0.7 0.812 104.9 58.3 -60.1 -34.7 1.4 -12.5 96.1 1025 135 D S H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.762 104.4 51.3 -69.7 -25.4 1.3 -9.0 94.6 1026 136 D E H << S+ 0 0 62 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.601 116.5 40.4 -85.1 -13.2 -2.1 -9.7 93.0 1027 137 D E H << S+ 0 0 137 -3,-0.7 2,-0.7 -4,-0.6 -2,-0.2 0.528 83.7 105.7-112.4 -11.7 -3.6 -11.0 96.3 1028 138 D N X - 0 0 11 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 -0.636 57.6-155.3 -76.4 116.0 -2.1 -8.5 98.8 1029 139 D E H > S+ 0 0 136 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.837 89.7 49.2 -60.1 -38.6 -5.0 -6.3 99.8 1030 140 D N H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.942 113.7 44.5 -70.0 -46.1 -2.8 -3.3 100.8 1031 141 D L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.941 118.1 45.7 -62.4 -45.6 -0.7 -3.3 97.7 1032 142 D Q H X S+ 0 0 12 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.886 112.3 50.1 -64.6 -39.4 -3.9 -3.8 95.6 1033 143 D R H X S+ 0 0 91 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.906 108.4 53.1 -66.1 -43.1 -5.8 -1.1 97.4 1034 144 D K H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.909 110.8 47.5 -58.8 -42.6 -3.0 1.4 97.1 1035 145 D A H X S+ 0 0 1 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.928 112.3 48.4 -66.4 -44.1 -2.9 0.8 93.3 1036 146 D K H X S+ 0 0 21 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.871 109.3 52.1 -65.4 -38.1 -6.7 1.1 92.9 1037 147 D I H X S+ 0 0 2 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.958 112.9 44.9 -61.9 -49.9 -6.9 4.4 94.9 1038 148 D I H X S+ 0 0 1 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.879 114.9 49.5 -62.1 -38.7 -4.2 5.9 92.8 1039 149 D M H X S+ 0 0 18 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.890 98.7 64.8 -70.4 -36.4 -5.9 4.6 89.7 1040 150 D S H < S+ 0 0 15 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.925 107.9 44.1 -53.2 -42.3 -9.3 5.9 90.7 1041 151 D Y H >< S+ 0 0 14 -4,-1.4 3,-1.5 1,-0.2 5,-0.3 0.881 108.9 54.8 -70.2 -37.1 -7.8 9.4 90.3 1042 152 D Y H 3< S+ 0 0 4 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.883 112.0 45.3 -63.1 -37.2 -6.0 8.7 87.0 1043 153 D N T 3< S+ 0 0 104 -4,-2.4 -1,-0.3 2,-0.0 -2,-0.2 0.207 102.1 87.3 -89.7 11.9 -9.2 7.6 85.5 1044 154 D G S < S- 0 0 33 -3,-1.5 -3,-0.1 -5,-0.2 -4,-0.0 -0.209 82.0-117.2 -96.8-167.1 -11.2 10.6 86.9 1045 155 D D S S+ 0 0 153 -2,-0.1 -3,-0.1 1,-0.0 -4,-0.1 0.215 79.9 99.6-121.1 16.3 -11.7 14.0 85.4 1046 156 D D > - 0 0 40 -5,-0.3 4,-1.5 1,-0.2 3,-0.3 -0.882 51.2-167.9-104.0 106.4 -10.1 16.3 88.0 1047 157 D P H > S+ 0 0 48 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.815 84.4 56.5 -63.4 -31.9 -6.6 17.2 86.7 1048 158 D L H > S+ 0 0 18 1,-0.2 4,-1.6 2,-0.2 59,-0.1 0.871 107.3 49.9 -67.8 -34.4 -5.4 18.7 89.9 1049 159 D K H > S+ 0 0 34 -3,-0.3 4,-3.1 2,-0.2 5,-0.3 0.845 102.7 59.1 -72.3 -37.3 -6.1 15.4 91.7 1050 160 D K H X S+ 0 0 27 -4,-1.5 4,-3.0 1,-0.2 -1,-0.2 0.940 109.0 47.0 -55.7 -44.9 -4.3 13.3 89.1 1051 161 D K H X S+ 0 0 10 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.864 110.7 49.9 -68.0 -37.2 -1.2 15.4 90.0 1052 162 D V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.964 114.9 45.0 -63.8 -49.7 -1.7 15.0 93.8 1053 163 D A H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.924 113.9 49.7 -57.9 -46.9 -2.1 11.2 93.4 1054 164 D S H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.2 0.907 110.9 49.0 -61.6 -41.0 0.8 11.1 91.0 1055 165 D T H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.852 108.6 52.9 -69.5 -32.7 3.1 13.1 93.4 1056 166 D L H X>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.9 0.832 111.4 47.0 -71.0 -30.8 2.1 10.9 96.4 1057 167 D L H <>S+ 0 0 0 -4,-1.7 5,-1.0 3,-0.2 3,-0.3 0.948 116.3 43.5 -72.5 -51.2 3.1 7.8 94.4 1058 168 D E H <5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.907 127.2 29.3 -61.5 -43.2 6.4 9.2 93.2 1059 169 D S H <5S+ 0 0 8 -4,-2.6 102,-0.3 -5,-0.2 -1,-0.2 0.383 136.9 13.2-102.4 2.3 7.4 10.8 96.6 1060 170 D F T ><5S+ 0 0 0 -4,-0.9 3,-1.3 -3,-0.3 4,-0.5 0.518 112.8 58.3-138.6 -59.8 5.8 8.5 99.1 1061 171 D L T 3 > S+ 0 0 11 -3,-1.3 4,-1.3 1,-0.3 -1,-0.2 0.733 81.5 60.5 -65.7 -31.3 9.6 4.3 99.9 1064 174 D S H 34 S+ 0 0 1 -4,-0.5 4,-0.4 -3,-0.2 -1,-0.3 0.753 116.8 43.5 -66.5 -16.0 8.3 1.5 102.1 1065 175 D G H X4 S+ 0 0 2 -3,-1.1 3,-0.6 -4,-0.2 -2,-0.3 0.887 106.6 54.6 -91.1 -44.9 9.8 -0.4 99.3 1066 176 D F H 3X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 5,-0.2 0.661 93.1 77.7 -64.6 -14.4 13.1 1.4 98.7 1067 177 D Y H 3X S+ 0 0 6 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.967 86.1 56.5 -59.4 -54.9 13.9 0.9 102.4 1068 178 D L H <> S+ 0 0 0 -3,-0.6 4,-2.9 -4,-0.4 5,-0.2 0.880 109.9 42.0 -45.1 -56.1 15.0 -2.8 102.1 1069 179 D P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.898 114.0 51.8 -63.8 -38.4 17.7 -2.3 99.4 1070 180 D M H X S+ 0 0 0 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.895 113.7 45.7 -65.4 -34.9 19.1 0.8 101.1 1071 181 D Y H X S+ 0 0 55 -4,-2.7 4,-0.6 2,-0.2 3,-0.3 0.940 112.9 47.8 -72.8 -45.6 19.3 -1.1 104.3 1072 182 D L H ><>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.3 3,-1.6 0.913 108.7 55.6 -61.3 -41.8 20.9 -4.2 102.8 1073 183 D S H ><5S+ 0 0 21 -4,-2.7 3,-1.6 1,-0.3 -1,-0.3 0.843 101.5 57.5 -58.3 -35.7 23.4 -2.0 101.0 1074 184 D S H 3<5S+ 0 0 43 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.701 106.5 50.5 -69.2 -17.0 24.3 -0.6 104.4 1075 185 D R T <<5S- 0 0 138 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.090 123.4-103.5-104.1 19.8 25.1 -4.1 105.4 1076 186 D A T < 5S+ 0 0 78 -3,-1.6 2,-0.4 1,-0.2 3,-0.3 0.692 83.3 127.4 67.0 19.3 27.3 -4.9 102.4 1077 187 D K S S+ 0 0 1 -2,-0.4 4,-2.1 -137,-0.3 -1,-0.2 0.894 75.9 163.8 50.5 45.6 23.0 -6.6 97.3 1079 189 D T H > + 0 0 58 -3,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.811 69.6 45.9 -65.1 -31.4 25.3 -3.6 96.7 1080 190 D N H > S+ 0 0 31 2,-0.2 4,-1.2 -142,-0.2 -1,-0.2 0.865 109.2 53.9 -80.0 -35.9 24.9 -3.6 92.9 1081 191 D T H >> S+ 0 0 0 1,-0.2 4,-2.2 -143,-0.2 3,-0.7 0.926 105.3 57.1 -59.1 -42.3 21.1 -4.0 93.1 1082 192 D A H 3X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.842 99.8 57.6 -58.2 -37.3 21.2 -1.0 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