==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-DEC-09 3L0Q . COMPND 2 MOLECULE: XYLULOSE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PSEUDOTUBERCULOSIS; . AUTHOR Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 1083 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 778 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 12.3 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 . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 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 . 53 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 351 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.8 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 0 2 6 2 4 6 4 0 3 1 0 0 0 0 2 0 0 0 0 0 0 0 2 2 0 0 RESIDUES PER ALPHA HELIX . 1 6 2 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 . 9 7 4 2 2 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 4 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 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 A 0 0 101 0, 0.0 2,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 147.8 -25.4 -45.1 9.0 2 3 A S - 0 0 46 70,-0.0 19,-0.5 71,-0.0 2,-0.3 -0.790 360.0-167.0-109.8 146.0 -23.8 -45.0 5.5 3 4 A Y E -Ab 20 72A 42 68,-2.7 70,-2.7 -2,-0.3 71,-0.8 -0.908 6.6-151.8-134.3 161.9 -22.2 -42.0 3.9 4 5 A F E -Ab 19 74A 0 15,-2.6 15,-3.0 -2,-0.3 2,-0.4 -0.989 9.3-141.4-138.9 139.8 -21.0 -41.0 0.4 5 6 A I E -Ab 18 75A 0 69,-2.6 71,-2.4 -2,-0.4 2,-0.4 -0.876 8.2-167.0-109.1 133.2 -18.3 -38.7 -0.9 6 7 A G E -Ab 17 76A 0 11,-2.1 11,-2.6 -2,-0.4 2,-0.5 -0.948 7.6-163.2-109.3 133.9 -18.4 -36.4 -3.8 7 8 A V E -Ab 16 77A 0 69,-2.3 71,-2.5 -2,-0.4 2,-0.5 -0.985 6.4-174.8-115.7 129.3 -15.1 -34.9 -5.0 8 9 A D E -Ab 15 78A 4 7,-2.4 7,-2.7 -2,-0.5 2,-0.8 -0.959 9.2-165.4-127.0 114.7 -15.2 -31.9 -7.3 9 10 A V E +Ab 14 79A 0 69,-2.3 71,-1.6 -2,-0.5 5,-0.3 -0.853 22.1 175.6-102.1 108.4 -12.0 -30.5 -8.8 10 11 A G - 0 0 3 3,-2.7 70,-0.1 -2,-0.8 274,-0.0 -0.025 47.3 -80.1 -96.6-160.8 -12.9 -27.1 -10.2 11 12 A T S S+ 0 0 15 1,-0.1 3,-0.1 68,-0.1 22,-0.0 0.917 124.6 21.5 -70.3 -40.9 -10.8 -24.4 -11.8 12 13 A G S S+ 0 0 44 1,-0.2 21,-2.6 20,-0.1 2,-0.3 0.745 126.4 13.5-102.7 -26.1 -9.4 -22.9 -8.5 13 14 A S E - C 0 32A 16 19,-0.3 -3,-2.7 -5,-0.1 2,-0.5 -0.971 59.8-122.4-150.6 157.3 -9.8 -25.7 -5.9 14 15 A A E -AC 9 31A 0 17,-2.7 17,-2.3 -2,-0.3 2,-0.3 -0.907 36.7-170.5 -96.0 129.7 -10.4 -29.3 -5.2 15 16 A R E -AC 8 30A 62 -7,-2.7 -7,-2.4 -2,-0.5 2,-0.4 -0.880 9.0-163.4-120.0 153.3 -13.4 -29.7 -2.9 16 17 A A E -AC 7 29A 0 13,-2.3 13,-1.9 -2,-0.3 2,-0.4 -0.997 4.7-169.9-135.4 141.0 -14.8 -32.8 -1.1 17 18 A G E -AC 6 28A 0 -11,-2.6 -11,-2.1 -2,-0.4 2,-0.5 -0.990 13.5-148.3-132.0 143.3 -18.2 -33.3 0.5 18 19 A V E -AC 5 27A 0 9,-2.8 8,-3.3 -2,-0.4 9,-1.0 -0.956 24.3-170.8-111.4 124.0 -19.6 -36.1 2.7 19 20 A F E -AC 4 25A 0 -15,-3.0 -15,-2.6 -2,-0.5 6,-0.2 -0.911 16.3-136.1-118.6 143.8 -23.3 -36.8 2.2 20 21 A D E > -A 3 0A 30 4,-2.2 3,-2.1 -2,-0.4 -17,-0.1 -0.328 44.6 -88.2 -82.4 176.7 -25.8 -38.8 4.0 21 22 A L T 3 S+ 0 0 63 -19,-0.5 -18,-0.1 1,-0.3 -1,-0.1 0.569 127.4 54.7 -66.3 -12.4 -28.4 -41.0 2.3 22 23 A Q T 3 S- 0 0 89 2,-0.1 -1,-0.3 479,-0.1 3,-0.1 0.449 120.9-105.6 -99.2 -0.6 -30.8 -38.2 2.0 23 24 A G S < S+ 0 0 3 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.645 71.8 143.6 86.7 16.9 -28.3 -36.0 0.3 24 25 A R - 0 0 119 478,-0.1 -4,-2.2 454,-0.0 2,-0.3 -0.752 51.4-122.8 -87.3 135.3 -27.6 -33.7 3.2 25 26 A X E +C 19 0A 46 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.622 31.9 173.3 -81.3 133.9 -24.0 -32.6 3.5 26 27 A V E + 0 0 52 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.422 66.4 9.3-118.9 -3.2 -22.3 -33.5 6.8 27 28 A G E +C 18 0A 2 -9,-1.0 -9,-2.8 38,-0.1 -1,-0.4 -0.910 61.5 172.2-168.3 148.7 -18.8 -32.5 6.2 28 29 A Q E +C 17 0A 71 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.982 3.2 176.6-155.4 156.4 -16.8 -30.6 3.5 29 30 A A E -C 16 0A 13 -13,-1.9 -13,-2.3 -2,-0.3 2,-0.3 -0.956 10.5-154.2-153.2 167.6 -13.3 -29.2 2.9 30 31 A S E -C 15 0A 25 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.981 3.8-166.8-142.8 154.7 -11.4 -27.5 0.1 31 32 A R E -C 14 0A 10 -17,-2.3 -17,-2.7 -2,-0.3 26,-0.1 -0.970 27.3-118.0-142.9 127.6 -7.8 -27.1 -1.1 32 33 A E E -C 13 0A 75 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.3 -0.236 23.0-146.4 -56.5 143.6 -6.5 -24.6 -3.7 33 34 A I - 0 0 11 -21,-2.6 2,-0.2 20,-0.1 17,-0.1 -0.950 22.0-109.7-115.7 141.6 -4.9 -25.9 -6.8 34 35 A T - 0 0 67 -2,-0.4 12,-0.4 12,-0.1 2,-0.4 -0.480 28.0-159.1 -75.1 132.1 -2.0 -24.1 -8.6 35 36 A X - 0 0 65 -2,-0.2 2,-0.4 10,-0.1 10,-0.2 -0.900 1.8-161.8-108.9 139.9 -2.5 -22.3 -11.9 36 37 A F E -F 44 0B 42 8,-2.7 8,-2.9 -2,-0.4 3,-0.1 -0.978 8.2-174.7-120.0 133.2 0.2 -21.5 -14.4 37 38 A K E + 0 0 146 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.699 4.0 177.8-128.5 80.1 -0.2 -18.9 -17.1 38 39 A P E S- 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.723 70.4 -31.8 -53.8 -27.7 3.0 -19.0 -19.3 39 40 A K E > S-F 42 0B 118 3,-0.5 3,-2.2 -3,-0.1 -3,-0.0 -0.938 96.4 -38.1 179.3 169.5 1.6 -16.4 -21.7 40 41 A A T 3 S+ 0 0 86 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.075 124.1 10.4 -47.0 133.9 -1.7 -15.2 -23.1 41 42 A D T 3 S+ 0 0 93 1,-0.2 70,-2.3 69,-0.0 71,-0.6 0.315 103.5 108.1 83.1 -13.3 -4.2 -18.0 -24.0 42 43 A F E < +F 39 0B 21 -3,-2.2 -3,-0.5 68,-0.2 2,-0.4 -0.902 39.7 171.0-104.6 130.8 -2.1 -20.7 -22.1 43 44 A V E + 0 0 11 -2,-0.5 64,-2.3 64,-0.2 2,-0.3 -0.989 8.4 176.4-142.7 122.2 -3.4 -22.0 -18.8 44 45 A E E -FG 36 106B 0 -8,-2.9 -8,-2.7 -2,-0.4 2,-0.2 -0.872 12.4-173.8-132.7 156.1 -1.9 -25.0 -17.1 45 46 A Q E - G 0 105B 0 60,-1.9 60,-2.0 -2,-0.3 59,-0.6 -0.796 26.8-114.1-134.6 175.2 -2.1 -27.1 -13.9 46 47 A S > - 0 0 10 -12,-0.4 4,-2.2 -2,-0.2 5,-0.2 -0.990 9.9-154.7-117.2 123.4 -0.2 -30.0 -12.3 47 48 A S H > S+ 0 0 2 -2,-0.4 4,-2.8 2,-0.2 5,-0.2 0.865 98.6 52.7 -65.3 -35.9 -1.9 -33.4 -11.8 48 49 A E H > S+ 0 0 81 54,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.940 110.4 47.9 -64.0 -43.7 0.3 -34.2 -8.9 49 50 A N H > S+ 0 0 49 53,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.881 112.5 49.6 -61.9 -40.8 -0.7 -31.0 -7.2 50 51 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.926 109.2 50.8 -64.7 -45.5 -4.3 -31.7 -8.0 51 52 A W H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.916 109.7 50.5 -62.7 -39.7 -4.2 -35.2 -6.6 52 53 A Q H X S+ 0 0 82 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.946 110.4 49.4 -63.9 -42.6 -2.6 -34.0 -3.4 53 54 A A H X S+ 0 0 8 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.903 110.8 50.7 -59.8 -45.4 -5.3 -31.3 -3.0 54 55 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.947 111.8 46.9 -55.5 -52.0 -8.0 -33.9 -3.5 55 56 A C H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.901 114.9 45.5 -60.1 -45.5 -6.5 -36.3 -0.9 56 57 A N H X S+ 0 0 34 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.927 112.9 50.9 -66.4 -41.7 -6.1 -33.6 1.7 57 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.876 111.8 47.6 -58.0 -42.7 -9.6 -32.2 1.0 58 59 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.952 110.7 50.6 -66.2 -46.5 -11.1 -35.7 1.4 59 60 A R H X S+ 0 0 115 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.901 114.4 45.2 -57.0 -41.1 -9.2 -36.4 4.7 60 61 A D H X S+ 0 0 31 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.854 110.1 52.9 -71.9 -43.5 -10.4 -33.0 6.1 61 62 A A H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.888 110.6 47.4 -62.3 -43.5 -14.0 -33.5 5.0 62 63 A V H X>S+ 0 0 12 -4,-2.2 4,-1.4 2,-0.2 5,-1.0 0.926 111.5 52.0 -62.5 -44.2 -14.3 -36.9 6.6 63 64 A N H <5S+ 0 0 128 -4,-1.9 3,-0.3 -5,-0.3 -2,-0.2 0.907 109.9 48.2 -62.2 -42.1 -12.7 -35.5 9.8 64 65 A Q H <5S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.916 108.1 54.4 -62.9 -39.7 -15.2 -32.7 9.8 65 66 A A H <5S- 0 0 16 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.767 98.5-144.9 -62.2 -27.1 -18.1 -35.2 9.3 66 67 A D T <5 + 0 0 142 -4,-1.4 2,-0.3 -3,-0.3 -3,-0.2 0.904 51.6 131.2 59.8 46.0 -16.8 -37.0 12.4 67 68 A I < - 0 0 23 -5,-1.0 -1,-0.2 2,-0.0 -2,-0.1 -0.775 64.6 -98.7-118.3 169.9 -17.7 -40.4 11.0 68 69 A N > - 0 0 55 -2,-0.3 3,-3.0 1,-0.1 4,-0.3 -0.740 25.9-128.7 -91.0 136.0 -15.7 -43.5 10.7 69 70 A P G > S+ 0 0 36 0, 0.0 3,-2.0 0, 0.0 174,-0.3 0.813 108.9 67.3 -52.9 -31.1 -14.2 -44.2 7.3 70 71 A I G 3 S+ 0 0 50 1,-0.3 172,-0.0 819,-0.1 820,-0.0 0.737 92.9 62.4 -60.8 -18.8 -15.7 -47.7 7.3 71 72 A Q G < S+ 0 0 51 -3,-3.0 -68,-2.7 -69,-0.1 2,-0.6 0.609 80.2 94.0 -79.1 -17.7 -19.0 -45.8 7.1 72 73 A V E < +b 3 0A 4 -3,-2.0 -68,-0.2 -4,-0.3 171,-0.2 -0.737 48.3 171.7 -83.0 116.4 -18.1 -44.3 3.7 73 74 A K E + 0 0 82 -70,-2.7 174,-1.1 -2,-0.6 2,-0.3 0.611 56.5 16.8-102.6 -21.8 -19.6 -46.7 1.1 74 75 A G E -bd 4 247A 0 -71,-0.8 -69,-2.6 172,-0.2 2,-0.4 -0.996 54.2-160.3-156.8 147.6 -19.1 -44.9 -2.2 75 76 A L E -bd 5 248A 0 172,-1.9 174,-2.4 -2,-0.3 2,-0.4 -0.983 3.8-166.7-126.6 146.8 -17.1 -42.1 -3.9 76 77 A G E -b 6 0A 0 -71,-2.4 -69,-2.3 -2,-0.4 2,-0.4 -0.990 8.4-153.9-126.7 144.4 -17.7 -40.2 -7.0 77 78 A F E +b 7 0A 0 -2,-0.4 175,-1.6 172,-0.3 2,-0.3 -0.950 15.1 171.6-117.0 134.2 -15.2 -37.9 -8.8 78 79 A D E +be 8 252A 0 -71,-2.5 -69,-2.3 -2,-0.4 2,-0.3 -0.945 7.5 164.7-131.9 152.7 -15.9 -35.0 -11.1 79 80 A A E -be 9 253A 0 173,-1.1 175,-2.5 -2,-0.3 176,-0.2 -0.985 43.1 -76.8-155.6 165.8 -13.5 -32.4 -12.6 80 81 A T - 0 0 1 -71,-1.6 2,-2.1 -2,-0.3 84,-0.2 -0.303 56.4-100.8 -58.7 156.6 -13.2 -29.7 -15.2 81 82 A C S S+ 0 0 15 83,-0.1 2,-0.2 82,-0.1 -1,-0.1 -0.318 72.3 145.4 -81.6 58.4 -12.7 -31.0 -18.7 82 83 A S - 0 0 0 -2,-2.1 82,-2.7 25,-0.1 2,-0.5 -0.454 50.1-113.7 -94.7 163.4 -8.9 -30.4 -18.6 83 84 A L E -HI 106 163B 0 23,-2.7 23,-2.2 80,-0.2 2,-0.5 -0.902 23.2-163.0-108.8 122.6 -6.3 -32.6 -20.2 84 85 A V E -HI 105 162B 0 78,-3.0 78,-2.2 -2,-0.5 2,-0.5 -0.898 6.6-161.4-104.9 127.5 -3.8 -34.6 -18.1 85 86 A V E + I 0 161B 0 19,-2.3 8,-2.1 -2,-0.5 2,-0.3 -0.945 12.4 174.7-115.4 125.6 -0.7 -35.9 -19.9 86 87 A L E -JI 92 160B 1 74,-2.5 73,-2.8 -2,-0.5 74,-1.8 -0.924 24.0-123.3-125.3 153.9 1.5 -38.7 -18.5 87 88 A D E > - I 0 158B 37 4,-2.8 3,-2.0 -2,-0.3 71,-0.2 -0.059 48.0 -76.7 -83.7-170.8 4.5 -40.6 -19.8 88 89 A K T 3 S+ 0 0 135 69,-0.8 70,-0.1 1,-0.3 -1,-0.1 0.700 133.0 49.2 -64.2 -19.9 4.9 -44.3 -20.3 89 90 A E T 3 S- 0 0 163 2,-0.1 -1,-0.3 71,-0.0 -2,-0.0 0.336 121.4-105.5 -95.4 -1.7 5.5 -44.9 -16.6 90 91 A G S < S+ 0 0 12 -3,-2.0 -2,-0.1 1,-0.3 3,-0.1 0.663 76.9 133.7 83.1 18.9 2.4 -42.8 -15.7 91 92 A N - 0 0 85 1,-0.1 -4,-2.8 -43,-0.0 -1,-0.3 -0.717 68.3 -78.1 -99.2 151.0 4.3 -39.8 -14.4 92 93 A P B -J 86 0B 31 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.198 45.7-164.6 -45.3 131.1 3.6 -36.1 -15.3 93 94 A L - 0 0 14 -8,-2.1 -8,-0.2 11,-0.2 7,-0.1 -0.989 28.8-101.4-124.4 128.9 4.9 -35.2 -18.8 94 95 A T + 0 0 11 -2,-0.4 10,-0.3 5,-0.2 7,-0.2 -0.049 35.8 172.7 -60.0 141.2 5.1 -31.5 -19.8 95 96 A V + 0 0 0 8,-2.7 9,-0.1 5,-0.4 -1,-0.1 0.155 55.3 105.1-115.5 15.5 2.5 -29.8 -21.9 96 97 A S S > S- 0 0 2 7,-0.5 3,-1.5 4,-0.3 7,-0.0 -0.671 75.5-136.0-113.2 146.6 4.2 -26.4 -21.3 97 98 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.680 112.4 64.6 -58.3 -20.1 6.4 -23.8 -23.0 98 99 A S T 3 S- 0 0 58 2,-0.1 3,-0.1 5,-0.1 -4,-0.0 0.679 101.5-140.5 -75.7 -19.0 8.1 -23.9 -19.7 99 100 A G < + 0 0 46 -3,-1.5 2,-0.5 1,-0.2 -5,-0.2 0.605 51.7 143.6 65.5 12.6 9.1 -27.5 -20.3 100 101 A R > - 0 0 106 1,-0.1 3,-1.5 -7,-0.1 -5,-0.4 -0.750 47.7-149.2 -85.7 124.4 8.4 -28.3 -16.7 101 102 A N T 3 S+ 0 0 75 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.724 96.3 68.6 -62.9 -24.5 6.9 -31.8 -16.4 102 103 A E T 3 S+ 0 0 94 1,-0.2 2,-1.4 -56,-0.1 -1,-0.3 0.772 88.9 70.1 -60.4 -30.9 5.0 -30.6 -13.3 103 104 A Q < + 0 0 12 -3,-1.5 -8,-2.7 1,-0.2 -7,-0.5 -0.690 62.9 131.7 -89.3 78.8 3.1 -28.5 -15.8 104 105 A N + 0 0 0 -2,-1.4 -19,-2.3 -59,-0.6 2,-0.5 0.253 42.1 82.8-118.7 9.1 1.3 -31.4 -17.4 105 106 A V E -GH 45 84B 0 -60,-2.0 -60,-1.9 -21,-0.2 2,-0.7 -0.976 58.9-153.6-120.6 124.4 -2.4 -30.4 -17.5 106 107 A I E -GH 44 83B 0 -23,-2.2 -23,-2.7 -2,-0.5 -62,-0.2 -0.875 30.7-130.4 -89.5 116.7 -3.9 -28.1 -20.1 107 108 A V > - 0 0 0 -64,-2.3 3,-2.2 -2,-0.7 -64,-0.2 -0.344 16.0-113.3 -72.9 151.0 -6.8 -26.5 -18.4 108 109 A W T 3 S+ 0 0 8 1,-0.3 -1,-0.1 3,-0.0 -26,-0.0 0.856 115.1 55.5 -46.9 -41.2 -10.2 -26.5 -20.0 109 110 A X T 3 S+ 0 0 30 2,-0.1 -1,-0.3 213,-0.0 29,-0.1 0.498 78.4 118.8 -80.0 -4.1 -10.1 -22.7 -20.5 110 111 A D < - 0 0 0 -3,-2.2 -68,-0.2 -67,-0.2 3,-0.2 -0.381 44.0-169.2 -63.5 135.6 -6.8 -22.7 -22.4 111 112 A H > + 0 0 9 -70,-2.3 3,-1.1 1,-0.1 -69,-0.2 0.031 48.3 118.6-116.6 25.0 -7.2 -21.3 -25.9 112 113 A R T 3 S+ 0 0 16 -71,-0.6 3,-0.4 1,-0.2 4,-0.1 0.763 71.4 59.0 -54.8 -27.8 -3.8 -22.3 -27.4 113 114 A A T 3> + 0 0 0 24,-0.3 4,-2.3 1,-0.2 -1,-0.2 -0.100 62.1 122.0-104.3 30.3 -5.4 -24.5 -30.0 114 115 A I H <> S+ 0 0 28 -3,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.936 78.7 46.4 -55.4 -47.7 -7.6 -22.0 -31.8 115 116 A T H > S+ 0 0 88 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.871 111.1 52.0 -69.7 -32.3 -5.9 -22.6 -35.2 116 117 A Q H > S+ 0 0 6 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.900 108.3 52.0 -67.2 -40.8 -6.2 -26.4 -34.8 117 118 A A H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 18,-0.3 0.925 108.9 50.4 -59.4 -41.3 -9.8 -26.1 -34.0 118 119 A E H X S+ 0 0 97 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.933 110.6 49.5 -62.6 -44.7 -10.3 -24.1 -37.2 119 120 A R H X S+ 0 0 101 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.941 111.8 48.1 -60.9 -45.0 -8.4 -26.7 -39.2 120 121 A I H >X>S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.2 4,-0.5 0.935 110.8 51.7 -59.2 -44.6 -10.6 -29.5 -37.7 121 122 A N H ><5S+ 0 0 36 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.881 100.3 62.6 -63.1 -34.5 -13.8 -27.5 -38.5 122 123 A A H 3<5S+ 0 0 83 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.677 94.1 64.5 -65.2 -15.3 -12.7 -27.0 -42.1 123 124 A T H <<5S- 0 0 39 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.726 88.6-150.7 -77.8 -26.0 -12.9 -30.8 -42.5 124 125 A K T <<5 - 0 0 172 -3,-1.5 -3,-0.1 -4,-0.5 -2,-0.1 0.788 26.5-177.2 57.6 28.8 -16.6 -30.8 -41.9 125 126 A H > < - 0 0 8 -5,-0.5 3,-2.2 1,-0.1 4,-0.3 -0.249 36.4-116.4 -58.7 141.6 -16.2 -34.4 -40.5 126 127 A P G > S+ 0 0 86 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.743 110.2 68.0 -49.1 -33.5 -19.4 -36.0 -39.5 127 128 A V G > S+ 0 0 7 1,-0.3 3,-1.4 2,-0.2 6,-0.1 0.719 86.9 71.9 -65.3 -15.0 -18.4 -36.2 -35.7 128 129 A L G X >S+ 0 0 2 -3,-2.2 5,-2.5 1,-0.3 3,-1.7 0.725 78.3 74.0 -72.7 -20.9 -18.7 -32.5 -35.7 129 130 A E G X 5S+ 0 0 88 -3,-1.7 3,-0.8 -4,-0.3 -1,-0.3 0.756 91.4 59.4 -59.5 -20.7 -22.5 -32.6 -35.9 130 131 A F G < 5S+ 0 0 35 -3,-1.4 174,-1.6 -4,-0.3 -1,-0.3 0.373 103.0 50.1 -97.5 6.9 -22.4 -33.8 -32.2 131 132 A V B X 5S-k 304 0C 12 -3,-1.7 3,-1.0 172,-0.3 -1,-0.2 -0.004 129.5 -90.2-123.6 29.6 -20.6 -30.6 -31.1 132 133 A G T < 5S- 0 0 5 172,-1.2 169,-1.9 -3,-0.8 -3,-0.2 0.725 75.0 -67.4 76.1 16.5 -23.1 -28.2 -32.8 133 134 A G T 3 - 0 0 17 -2,-0.2 3,-1.6 1,-0.1 -1,-0.0 -0.677 12.3-127.9 -90.8 146.4 -14.1 -25.5 -29.6 137 138 A P T 3 S+ 0 0 2 0, 0.0 -24,-0.3 0, 0.0 -1,-0.1 0.658 109.3 69.1 -63.7 -14.6 -10.4 -25.0 -29.0 138 139 A E T 3 S+ 0 0 12 -27,-0.1 -28,-0.1 -26,-0.1 -26,-0.0 0.731 84.4 92.1 -74.8 -20.2 -11.3 -25.8 -25.4 139 140 A X S <> S- 0 0 2 -3,-1.6 4,-1.2 1,-0.1 48,-0.1 -0.209 85.9-114.1 -75.8 167.7 -12.0 -29.5 -26.4 140 141 A Q H > S+ 0 0 1 46,-1.5 4,-2.4 1,-0.2 5,-0.2 0.857 103.3 58.2 -81.2 -40.6 -9.4 -32.1 -26.3 141 142 A T H > S+ 0 0 0 45,-0.8 4,-2.3 1,-0.2 5,-0.2 0.904 106.5 50.1 -62.6 -38.7 -8.8 -33.1 -29.9 142 143 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.942 112.5 48.1 -59.2 -41.7 -7.8 -29.6 -30.9 143 144 A K H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.881 110.2 51.6 -65.2 -34.5 -5.4 -29.5 -27.9 144 145 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.902 109.1 50.2 -70.5 -37.2 -4.0 -33.0 -28.8 145 146 A L H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.941 109.8 52.8 -63.4 -42.2 -3.3 -31.8 -32.4 146 147 A W H X S+ 0 0 17 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.920 110.5 45.8 -58.1 -44.5 -1.6 -28.7 -30.9 147 148 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 8,-0.4 0.860 109.8 54.6 -68.8 -35.8 0.7 -30.9 -28.7 148 149 A K H < S+ 0 0 61 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.886 116.1 38.0 -64.4 -38.4 1.5 -33.2 -31.6 149 150 A Q H < S+ 0 0 90 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.904 126.9 32.9 -77.3 -47.0 2.6 -30.3 -33.8 150 151 A H H < S+ 0 0 106 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.725 124.3 36.3 -87.5 -26.2 4.4 -28.2 -31.1 151 152 A X X + 0 0 30 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 -0.526 56.1 160.1-134.2 68.1 5.8 -30.7 -28.7 152 153 A P H > S+ 0 0 76 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.821 78.0 57.9 -60.2 -34.1 7.0 -33.8 -30.6 153 154 A N H > S+ 0 0 136 2,-0.2 4,-1.0 1,-0.2 -2,-0.1 0.915 111.3 42.6 -64.3 -44.2 9.3 -34.8 -27.7 154 155 A T H >> S+ 0 0 5 2,-0.2 3,-1.3 1,-0.2 4,-0.5 0.971 112.8 52.4 -59.1 -50.3 6.3 -34.9 -25.4 155 156 A W H >< S+ 0 0 19 -4,-2.6 3,-0.9 -8,-0.4 -2,-0.2 0.856 107.0 54.6 -57.6 -37.5 4.1 -36.6 -28.0 156 157 A S H 3< S+ 0 0 81 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.787 111.8 43.5 -63.3 -31.8 6.8 -39.3 -28.4 157 158 A N H << S+ 0 0 83 -3,-1.3 -69,-0.8 -4,-1.0 -1,-0.2 0.297 81.6 131.0-105.2 10.2 6.8 -40.1 -24.7 158 159 A V E << +I 87 0B 2 -3,-0.9 -71,-0.3 -4,-0.5 3,-0.1 -0.404 18.0 162.3 -67.3 136.6 3.1 -40.2 -24.1 159 160 A G E + 0 0 15 -73,-2.8 2,-0.4 1,-0.4 -72,-0.2 0.612 68.8 21.8-115.9 -41.1 1.7 -43.1 -22.2 160 161 A H E -I 86 0B 24 -74,-1.8 -74,-2.5 -73,-0.1 2,-0.5 -0.995 49.9-170.2-136.2 138.1 -1.7 -41.8 -21.0 161 162 A L E +I 85 0B 0 55,-2.7 2,-0.4 -2,-0.4 -76,-0.2 -0.972 26.4 178.7-122.0 108.9 -4.0 -39.0 -22.2 162 163 A F E -I 84 0B 1 -78,-2.2 -78,-3.0 -2,-0.5 2,-0.3 -0.922 35.0-129.0-118.6 130.8 -6.7 -38.5 -19.6 163 164 A D E >> -I 83 0B 0 -2,-0.4 4,-2.0 -80,-0.2 3,-1.0 -0.638 47.1-108.7 -61.3 138.2 -9.7 -36.1 -19.3 164 165 A L H 3> S+ 0 0 0 -82,-2.7 4,-2.1 -2,-0.3 5,-0.1 0.835 117.9 54.0 -45.0 -44.3 -9.1 -34.8 -15.7 165 166 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.901 110.8 47.0 -62.0 -35.7 -12.1 -36.7 -14.2 166 167 A D H <> S+ 0 0 3 -3,-1.0 4,-2.2 1,-0.2 -2,-0.2 0.812 107.1 57.4 -73.5 -31.5 -10.8 -40.0 -15.6 167 168 A F H X S+ 0 0 5 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.931 106.4 51.1 -58.2 -44.8 -7.3 -39.2 -14.3 168 169 A L H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.899 112.2 43.5 -61.0 -46.8 -8.9 -38.9 -10.9 169 170 A T H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 6,-0.5 0.834 113.6 51.6 -71.0 -33.3 -10.6 -42.3 -11.0 170 171 A W H X S+ 0 0 42 -4,-2.2 4,-3.1 2,-0.2 3,-0.2 0.917 109.9 49.3 -66.7 -45.0 -7.6 -44.0 -12.5 171 172 A R H < S+ 0 0 25 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.807 115.4 45.9 -61.3 -28.7 -5.4 -42.6 -9.7 172 173 A A H < S+ 0 0 0 -4,-1.2 61,-2.6 -5,-0.2 -1,-0.2 0.756 132.0 13.8 -87.1 -27.2 -7.9 -43.8 -7.2 173 174 A T H < S- 0 0 10 -4,-1.5 57,-0.4 -3,-0.2 -2,-0.2 0.510 86.3-124.0-127.7 -14.6 -8.5 -47.3 -8.6 174 175 A K S < S+ 0 0 144 -4,-3.1 2,-0.5 1,-0.3 -4,-0.2 0.403 70.0 131.2 73.3 -3.4 -5.8 -48.2 -11.2 175 176 A D - 0 0 34 -6,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.719 47.5-160.2 -82.2 127.3 -8.6 -48.9 -13.7 176 177 A E + 0 0 89 -2,-0.5 44,-0.3 -3,-0.1 43,-0.2 0.315 46.5 133.5 -87.2 7.4 -7.9 -47.1 -17.0 177 178 A T - 0 0 10 42,-0.1 2,-0.2 41,-0.1 44,-0.2 -0.334 47.9-142.3 -57.3 135.5 -11.6 -47.3 -18.0 178 179 A R E -l 221 0D 4 42,-2.7 44,-2.3 72,-0.1 2,-0.3 -0.678 13.7-108.7-100.4 157.9 -12.8 -44.0 -19.3 179 180 A S E > -l 222 0D 0 -2,-0.2 4,-1.9 42,-0.2 5,-0.3 -0.605 11.2-133.4 -82.1 143.9 -16.2 -42.4 -18.8 180 181 A L H > S+ 0 0 16 42,-2.3 4,-2.1 -2,-0.3 5,-0.4 0.859 106.3 58.2 -53.6 -38.0 -19.0 -42.0 -21.4 181 182 A C H > S+ 0 0 0 70,-0.4 4,-2.4 41,-0.3 5,-0.3 0.990 110.8 36.4 -64.6 -58.7 -19.3 -38.4 -20.3 182 183 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.5 0.941 121.2 45.5 -62.7 -49.0 -15.7 -37.2 -20.9 183 184 A T H X S+ 0 0 2 -4,-1.9 6,-1.9 3,-0.2 4,-1.8 0.946 117.4 42.2 -59.5 -49.9 -15.1 -39.2 -24.1 184 185 A V H < S+ 0 0 8 -4,-2.1 4,-0.5 -5,-0.3 -2,-0.2 0.943 121.9 40.1 -63.0 -45.5 -18.5 -38.4 -25.8 185 186 A C H < S+ 0 0 1 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.2 0.847 132.9 15.2 -74.6 -37.4 -18.5 -34.7 -24.9 186 187 A K H < S+ 0 0 11 -4,-2.4 -46,-1.5 -5,-0.3 -45,-0.8 0.542 125.2 44.3-122.6 -5.7 -14.8 -33.8 -25.4 187 188 A W S < S- 0 0 3 -4,-1.8 -3,-0.2 -5,-0.5 -4,-0.1 0.383 101.5-109.8-121.2 -3.8 -13.0 -36.5 -27.4 188 189 A T + 0 0 17 -5,-0.5 9,-0.3 -4,-0.5 -4,-0.2 0.539 58.5 159.4 81.6 13.0 -15.5 -37.3 -30.3 189 190 A Y - 0 0 20 -6,-1.9 2,-0.9 -7,-0.1 -1,-0.3 -0.416 43.5-125.3 -61.3 138.1 -16.4 -40.7 -29.0 190 191 A L B >>> -M 195 0E 8 5,-2.6 5,-1.5 1,-0.2 4,-0.8 -0.777 25.1-174.1 -94.1 107.7 -19.8 -41.7 -30.5 191 192 A G T 345S+ 0 0 9 -2,-0.9 3,-0.3 1,-0.2 -1,-0.2 0.846 84.7 53.8 -68.6 -34.2 -22.0 -42.6 -27.6 192 193 A H T 345S+ 0 0 62 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.664 120.2 31.6 -75.3 -18.0 -24.8 -43.8 -29.9 193 194 A E T <45S- 0 0 101 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.359 102.1-130.7-115.1 4.8 -22.4 -46.2 -31.8 194 195 A D T <5 + 0 0 95 -4,-0.8 2,-0.3 -3,-0.3 -3,-0.2 0.905 69.6 88.6 39.2 58.0 -20.2 -47.0 -28.8 195 196 A R B > - 0 0 15 -9,-0.3 4,-1.7 -2,-0.2 3,-0.6 -0.810 20.9-166.9 -94.2 107.5 -14.5 -42.9 -35.3 198 199 A P H 3> S+ 0 0 69 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.846 85.9 61.9 -66.3 -26.9 -11.3 -43.9 -37.0 199 200 A S H 3> S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.868 104.0 49.7 -66.2 -32.5 -12.1 -41.8 -40.0 200 201 A Y H <> S+ 0 0 0 -3,-0.6 4,-1.7 2,-0.2 6,-0.2 0.964 111.2 45.6 -68.5 -52.7 -12.1 -38.7 -37.8 201 202 A F H X>S+ 0 0 0 -4,-1.7 5,-2.8 1,-0.2 4,-0.6 0.890 115.5 49.5 -58.8 -40.9 -8.7 -39.3 -36.1 202 203 A K H ><5S+ 0 0 60 -4,-2.2 3,-1.8 4,-0.2 5,-0.3 0.986 111.5 46.5 -55.0 -62.4 -7.2 -40.2 -39.6 203 204 A L H 3<5S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.762 113.5 50.7 -54.7 -26.4 -8.5 -37.1 -41.3 204 205 A V H 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.462 116.4-104.9-101.6 -5.3 -7.4 -34.8 -38.5 205 206 A G T <<5S+ 0 0 31 -3,-1.8 -3,-0.2 -4,-0.6 -2,-0.1 0.742 95.6 99.0 89.6 24.2 -3.8 -36.0 -38.1 206 207 A L > < + 0 0 0 -5,-2.8 3,-1.8 -6,-0.2 4,-0.3 -0.047 31.0 128.6-128.4 26.7 -4.2 -38.0 -34.9 207 208 A A G > + 0 0 52 -6,-0.5 3,-1.8 -5,-0.3 4,-0.2 0.824 66.4 68.9 -55.0 -32.3 -4.4 -41.6 -36.3 208 209 A D G > S+ 0 0 45 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.713 83.4 70.5 -62.6 -24.1 -1.6 -42.7 -33.9 209 210 A L G < S+ 0 0 1 -3,-1.8 8,-0.5 1,-0.2 7,-0.4 0.714 93.2 58.5 -64.0 -23.5 -3.9 -42.2 -30.9 210 211 A L G <> S+ 0 0 39 -3,-1.8 4,-1.5 -4,-0.3 3,-0.4 0.517 80.4 117.0 -86.1 -7.0 -5.9 -45.3 -32.0 211 212 A D H X> S+ 0 0 98 -3,-1.3 4,-1.1 1,-0.2 3,-0.6 -0.109 71.7 24.5 -56.4 159.5 -2.9 -47.7 -31.9 212 213 A N H >4 S- 0 0 144 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.904 142.2 -54.4 44.8 49.3 -2.9 -50.6 -29.5 213 214 A N H 34 S- 0 0 131 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 100.5 -57.6 55.0 42.5 -6.7 -50.6 -29.4 214 215 A A H XX S+ 0 0 6 -4,-1.5 4,-2.5 -3,-0.6 3,-0.8 0.760 87.7 155.6 65.4 29.7 -6.9 -46.9 -28.4 215 216 A A T << + 0 0 40 -4,-1.1 4,-0.3 -3,-0.8 -3,-0.1 0.807 65.1 54.3 -58.6 -37.7 -4.8 -47.5 -25.3 216 217 A K T 34 S+ 0 0 53 -5,-0.4 -55,-2.7 -7,-0.4 -1,-0.2 0.794 123.6 25.7 -67.2 -31.1 -3.6 -43.9 -24.9 217 218 A I T <4 S- 0 0 2 -3,-0.8 -2,-0.2 -8,-0.5 -1,-0.2 0.497 132.1 -55.1-114.0 -11.7 -7.1 -42.5 -24.9 218 219 A G < - 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0 0 154 -3,-1.3 -3,-0.1 -4,-0.4 -2,-0.1 0.775 25.1-176.4 54.7 32.6 31.1 -22.4 27.9 668 126 B H > < - 0 0 11 -5,-0.5 3,-1.9 1,-0.1 4,-0.3 -0.239 35.1-115.9 -64.1 145.2 29.4 -19.1 28.0 669 127 B P G > S+ 0 0 83 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.767 110.7 65.3 -49.5 -33.3 27.0 -18.5 31.1 670 128 B V G > S+ 0 0 7 1,-0.3 3,-1.3 2,-0.2 4,-0.1 0.762 89.9 67.9 -69.0 -20.9 23.9 -18.2 28.9 671 129 B L G X >S+ 0 0 4 -3,-1.9 5,-2.9 1,-0.2 3,-1.9 0.670 77.8 81.3 -65.4 -16.8 24.3 -21.9 28.0 672 130 B E G X 5S+ 0 0 129 -3,-1.8 3,-0.6 -4,-0.3 -1,-0.2 0.710 85.2 60.4 -64.2 -13.6 23.6 -22.8 31.6 673 131 B F G < 5S+ 0 0 30 -3,-1.3 174,-3.2 1,-0.2 -1,-0.3 0.492 104.9 47.7 -90.2 -9.7 19.9 -22.5 30.7 674 132 B V G X 5S- 0 0 13 -3,-1.9 3,-1.9 172,-0.2 -1,-0.2 -0.236 128.7 -90.9-119.3 41.0 20.2 -25.2 28.0 675 133 B G T < 5S- 0 0 52 -3,-0.6 -3,-0.2 172,-0.4 -2,-0.1 0.742 72.5 -73.7 63.0 19.3 22.0 -27.8 30.1 676 134 B G T 3 - 0 0 24 1,-0.1 3,-1.6 -2,-0.1 -1,-0.1 -0.724 11.0-126.6 -89.1 146.8 21.3 -27.7 20.2 680 138 B P T 3 S+ 0 0 30 0, 0.0 -24,-0.3 0, 0.0 -25,-0.1 0.704 110.7 64.4 -61.8 -20.2 21.9 -27.3 16.4 681 139 B E T 3 S+ 0 0 60 -27,-0.1 -28,-0.1 -29,-0.1 -26,-0.0 0.722 83.7 91.8 -73.9 -26.2 18.1 -26.7 16.2 682 140 B X S <> S- 0 0 7 -3,-1.6 4,-1.0 1,-0.1 48,-0.1 -0.238 86.2-112.9 -70.3 169.4 18.3 -23.6 18.3 683 141 B Q H > S+ 0 0 0 46,-1.6 4,-2.7 1,-0.2 5,-0.2 0.861 101.7 61.0 -81.3 -36.0 18.6 -20.3 16.5 684 142 B T H > S+ 0 0 0 45,-0.6 4,-2.5 1,-0.2 5,-0.2 0.897 105.2 50.5 -65.0 -35.3 22.0 -18.8 17.4 685 143 B P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.929 111.8 49.8 -63.1 -39.0 23.9 -21.8 15.8 686 144 B K H X S+ 0 0 0 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.890 109.2 50.7 -65.5 -39.2 21.8 -21.3 12.7 687 145 B L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.904 110.3 49.4 -62.2 -45.6 22.5 -17.5 12.6 688 146 B L H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.916 110.1 52.0 -61.0 -42.7 26.3 -18.2 12.9 689 147 B W H X S+ 0 0 25 -4,-2.5 4,-3.1 -5,-0.2 5,-0.3 0.938 111.6 46.5 -55.4 -46.7 25.9 -20.8 10.0 690 148 B L H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 8,-0.4 0.924 110.0 52.2 -67.2 -39.7 24.1 -18.2 7.9 691 149 B K H < S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.907 117.8 40.3 -63.2 -38.3 26.7 -15.5 8.6 692 150 B Q H < S+ 0 0 85 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.899 127.6 26.8 -73.1 -46.0 29.5 -17.9 7.6 693 151 B H H < S+ 0 0 105 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.632 123.7 40.9-104.2 -13.7 27.9 -19.6 4.6 694 152 B X X + 0 0 40 -4,-2.5 4,-2.9 -5,-0.3 -1,-0.2 -0.509 63.0 161.0-129.8 66.0 25.5 -17.2 3.1 695 153 B P H > S+ 0 0 79 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.807 74.1 54.2 -61.9 -32.4 27.3 -13.8 3.3 696 154 B N H > S+ 0 0 108 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.945 110.9 45.7 -68.7 -42.3 25.2 -12.1 0.7 697 155 B T H >> S+ 0 0 2 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.963 111.4 54.0 -56.3 -50.6 22.1 -13.0 2.6 698 156 B W H >< S+ 0 0 18 -4,-2.9 3,-0.8 -8,-0.4 -2,-0.2 0.887 107.3 50.3 -53.5 -43.1 23.8 -11.9 5.8 699 157 B S H 3< S+ 0 0 82 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.777 114.4 45.1 -64.7 -25.8 24.6 -8.4 4.3 700 158 B N H << S+ 0 0 66 -4,-1.2 -69,-1.0 -3,-1.0 -1,-0.2 0.417 81.8 128.6-103.6 4.1 21.0 -8.0 3.2 701 159 B V E << +E 630 0K 2 -4,-0.8 -71,-0.3 -3,-0.8 3,-0.1 -0.336 21.2 165.8 -61.8 130.3 19.2 -9.1 6.4 702 160 B G E + 0 0 14 -73,-2.9 2,-0.4 1,-0.4 -72,-0.2 0.657 69.8 16.7-106.8 -32.3 16.5 -6.8 7.8 703 161 B H E -E 629 0K 18 -74,-1.9 -74,-2.4 57,-0.1 2,-0.6 -0.997 50.1-166.4-147.4 137.1 14.8 -9.2 10.2 704 162 B L E -E 628 0K 0 55,-2.7 2,-0.4 -2,-0.4 -76,-0.2 -0.961 29.1-179.0-122.7 104.8 15.6 -12.5 11.8 705 163 B F E -E 627 0K 0 -78,-2.7 -78,-3.2 -2,-0.6 2,-0.3 -0.886 33.6-129.3-111.8 138.5 12.3 -13.8 13.2 706 164 B D E >> -E 626 0K 0 -2,-0.4 4,-1.9 -80,-0.2 3,-0.9 -0.650 46.5-107.6 -67.6 144.3 11.4 -16.9 15.2 707 165 B L H 3> S+ 0 0 0 -82,-2.8 4,-2.4 -2,-0.3 5,-0.2 0.841 118.2 52.9 -47.2 -47.5 8.4 -18.2 13.2 708 166 B P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.910 111.5 47.9 -55.7 -43.9 5.7 -17.3 15.8 709 167 B D H <> S+ 0 0 2 -3,-0.9 4,-2.5 2,-0.2 5,-0.2 0.806 106.7 57.0 -64.7 -35.5 7.1 -13.7 15.8 710 168 B F H X S+ 0 0 6 -4,-1.9 4,-3.2 1,-0.2 5,-0.2 0.943 106.2 52.0 -60.6 -43.7 7.1 -13.6 12.0 711 169 B L H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.916 110.9 43.6 -60.5 -44.5 3.4 -14.4 12.2 712 170 B T H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 6,-0.4 0.874 115.5 49.8 -70.7 -35.6 2.5 -11.6 14.6 713 171 B W H X S+ 0 0 33 -4,-2.5 4,-3.0 2,-0.2 3,-0.2 0.910 110.3 50.0 -62.9 -46.1 4.7 -9.1 12.7 714 172 B R H < S+ 0 0 19 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.840 115.3 45.5 -60.7 -31.4 3.1 -10.1 9.4 715 173 B A H < S+ 0 0 0 -4,-1.6 61,-2.9 -5,-0.2 -1,-0.2 0.754 132.6 13.6 -79.8 -27.6 -0.3 -9.6 11.1 716 174 B T H < S- 0 0 9 -4,-1.5 57,-0.4 59,-0.2 -2,-0.2 0.497 86.6-122.7-129.4 -11.3 0.4 -6.3 12.8 717 175 B K S < S+ 0 0 147 -4,-3.0 2,-0.5 1,-0.2 -4,-0.2 0.419 70.3 133.7 66.5 -0.7 3.6 -4.6 11.4 718 176 B D - 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0 0 71 -5,-3.2 -1,-0.2 -8,-0.2 -2,-0.2 -0.895 60.8-114.4-125.9 162.3 -10.8 -49.1 14.7 894 352 B T > - 0 0 65 -2,-0.3 4,-2.1 -3,-0.1 3,-0.2 -0.483 36.4-107.4 -80.9 160.7 -7.3 -47.7 15.1 895 353 B I H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 121.9 56.5 -55.2 -33.8 -4.3 -50.1 15.4 896 354 B Y H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.896 105.0 49.3 -69.1 -36.0 -4.2 -49.0 19.1 897 355 B E H > S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 111.2 50.6 -69.4 -38.6 -7.8 -50.0 19.7 898 356 B A H X S+ 0 0 5 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.902 113.0 45.2 -65.2 -42.8 -7.1 -53.4 18.1 899 357 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.908 109.9 54.3 -66.7 -40.4 -4.0 -54.0 20.3 900 358 B N H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.881 105.7 54.1 -60.7 -35.3 -5.7 -52.9 23.4 901 359 B Y H X S+ 0 0 134 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.924 108.2 49.1 -63.2 -44.7 -8.4 -55.4 22.7 902 360 B I H X S+ 0 0 19 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.922 109.8 51.8 -60.1 -46.8 -5.8 -58.2 22.5 903 361 B L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.898 108.7 50.5 -59.1 -42.7 -4.3 -57.0 25.7 904 362 B R H X S+ 0 0 97 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.918 111.6 48.7 -62.0 -41.6 -7.7 -57.2 27.4 905 363 B Q H < S+ 0 0 122 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.907 113.0 46.8 -63.4 -42.2 -8.2 -60.7 26.1 906 364 B X H < S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.826 109.5 54.9 -69.9 -31.6 -4.8 -61.9 27.3 907 365 B A H < S- 0 0 14 -4,-1.9 2,-1.5 1,-0.2 -1,-0.2 0.779 88.4-150.9 -72.8 -30.7 -5.2 -60.3 30.7 908 366 B G S < S+ 0 0 67 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.1 -0.703 81.0 26.4 88.4 -84.9 -8.4 -62.1 31.5 909 367 B E S > S- 0 0 104 -2,-1.5 3,-2.4 -3,-0.1 4,-0.1 -0.888 90.9-116.6-111.7 153.2 -9.6 -59.3 33.7 910 368 B P G > S+ 0 0 91 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.710 106.7 67.0 -61.2 -31.9 -8.4 -55.7 33.2 911 369 B E G 3 S+ 0 0 86 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.627 98.1 57.7 -64.6 -9.2 -6.6 -55.2 36.5 912 370 B N G < S+ 0 0 47 -3,-2.4 4,-0.5 1,-0.1 -1,-0.3 0.332 77.2 96.9 -98.0 3.8 -4.1 -57.8 35.3 913 371 B I S X S+ 0 0 9 -3,-2.0 3,-1.7 1,-0.2 4,-0.2 0.933 79.4 52.5 -61.4 -46.0 -3.1 -55.9 32.1 914 372 B A G > S+ 0 0 2 -4,-0.3 3,-1.2 1,-0.3 -1,-0.2 0.838 102.7 60.7 -59.5 -33.5 0.0 -54.3 33.5 915 373 B F G > S+ 0 0 46 1,-0.3 3,-2.0 -3,-0.2 -1,-0.3 0.586 77.1 88.8 -75.7 -10.7 1.4 -57.6 34.7 916 374 B L G < S+ 0 0 43 -3,-1.7 3,-0.3 -4,-0.5 -1,-0.3 0.727 89.2 51.3 -58.7 -21.9 1.5 -59.1 31.2 917 375 B T G X + 0 0 0 -3,-1.2 3,-1.6 -4,-0.2 -1,-0.3 -0.027 67.4 127.9-103.7 27.8 5.0 -57.6 30.9 918 376 B N T < S+ 0 0 80 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.793 88.1 25.8 -53.4 -29.0 6.4 -59.1 34.1 919 377 B D T 3 S+ 0 0 121 -3,-0.3 2,-0.5 -4,-0.1 -1,-0.3 0.112 108.7 82.7-120.2 15.4 9.3 -60.5 32.2 920 378 B I < + 0 0 29 -3,-1.6 2,-0.3 24,-0.1 24,-0.2 -0.993 55.6 171.1-127.1 120.5 9.5 -58.1 29.2 921 379 B H - 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0 0 71 -2,-0.4 -32,-2.2 -238,-0.2 2,-0.4 -0.956 40.3 -88.4-145.1 170.3 -11.6 -27.7 31.8 1047 505 B I E -O 1013 0O 41 -238,-0.4 3,-0.1 -2,-0.3 -238,-0.0 -0.650 31.2-177.7 -81.8 126.3 -10.9 -31.2 32.8 1048 506 B G E S+ 0 0 44 -36,-3.2 2,-0.3 -2,-0.4 -1,-0.2 0.672 71.3 4.5 -92.0 -22.2 -12.8 -33.7 30.6 1049 507 B K E -O 1012 0O 114 -37,-1.5 -37,-3.1 2,-0.0 2,-0.5 -0.941 57.5-152.9-167.1 136.2 -11.5 -36.8 32.4 1050 508 B T E -O 1011 0O 79 -2,-0.3 2,-0.6 -39,-0.2 -39,-0.2 -0.980 11.4-167.9-118.9 121.3 -9.5 -37.7 35.4 1051 509 B V E -O 1010 0O 14 -41,-2.6 -41,-2.7 -2,-0.5 3,-0.1 -0.935 11.4-165.0-111.4 113.6 -7.6 -41.0 35.3 1052 510 B T - 0 0 79 -2,-0.6 -48,-0.2 -43,-0.2 -49,-0.1 -0.587 29.9 -92.7 -93.8 157.2 -6.2 -41.9 38.7 1053 511 B P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -49,-0.1 -0.301 45.7-136.5 -55.3 151.7 -3.6 -44.5 39.6 1054 512 B Q - 0 0 82 1,-0.2 -143,-0.0 -54,-0.2 -3,-0.0 0.383 49.3 -14.9 -90.0-134.2 -5.3 -47.8 40.4 1055 513 B T > - 0 0 74 1,-0.1 4,-2.7 -144,-0.1 -1,-0.2 -0.072 56.7-114.3 -75.1 166.1 -4.5 -50.2 43.3 1056 514 B N H > S+ 0 0 134 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.847 118.2 58.5 -64.1 -34.1 -1.5 -50.4 45.6 1057 515 B K H > S+ 0 0 143 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 108.9 43.1 -58.3 -48.5 -0.7 -53.8 44.0 1058 516 B I H > S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.914 113.9 51.5 -66.8 -44.4 -0.5 -52.2 40.5 1059 517 B K H X S+ 0 0 75 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.922 109.3 49.7 -59.5 -42.7 1.5 -49.3 41.9 1060 518 B A H X S+ 0 0 36 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.865 105.4 57.9 -64.7 -36.7 4.0 -51.6 43.5 1061 519 B Y H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.933 107.2 47.8 -54.8 -48.4 4.4 -53.6 40.3 1062 520 B Y H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.835 105.5 59.0 -65.2 -33.6 5.5 -50.3 38.6 1063 521 B D H X S+ 0 0 56 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.918 109.4 44.1 -57.0 -42.9 7.9 -49.6 41.4 1064 522 B R H X S+ 0 0 123 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.919 111.9 52.3 -67.1 -45.7 9.6 -53.0 40.6 1065 523 B K H X S+ 0 0 13 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.856 108.2 52.9 -55.7 -36.8 9.5 -52.2 36.9 1066 524 B Y H X S+ 0 0 15 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.838 103.5 54.9 -70.7 -33.7 11.1 -48.9 37.6 1067 525 B R H X S+ 0 0 167 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.904 111.5 45.8 -62.9 -43.3 13.9 -50.6 39.5 1068 526 B V H X S+ 0 0 48 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.922 108.2 57.3 -62.6 -46.2 14.5 -52.7 36.3 1069 527 B F H X S+ 0 0 4 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.917 111.7 41.8 -50.1 -47.3 14.2 -49.5 34.2 1070 528 B H H >X S+ 0 0 46 -4,-2.2 4,-1.6 1,-0.2 3,-0.5 0.890 111.3 54.9 -69.1 -37.5 17.1 -47.9 36.2 1071 529 B Q H 3X S+ 0 0 89 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.893 100.3 60.9 -66.0 -36.8 19.2 -51.1 36.3 1072 530 B X H 3X S+ 0 0 11 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.841 101.6 53.0 -59.5 -33.2 19.1 -51.4 32.5 1073 531 B Y H < S+ 0 0 62 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.912 109.5 52.0 -62.6 -45.7 32.9 -50.5 29.7 1082 540 B L H 3< S+ 0 0 128 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.831 107.6 53.1 -58.3 -36.2 33.5 -54.2 29.0 1083 541 B X H 3< 0 0 166 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.723 360.0 360.0 -75.3 -20.6 33.9 -53.5 25.3 1084 542 B Q << 0 0 199 -4,-1.0 -3,-0.0 -3,-0.6 -4,-0.0 -0.376 360.0 360.0 -70.3 360.0 36.6 -50.9 25.9