==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-DEC-11 3V3R . COMPND 2 MOLECULE: EXTENDED SPECTRUM CLASS A BETA-LACTAMASE GES-11; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR H.DELBRUCK,K.M.V.HOFFMANN,C.BEBRONE . 531 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 70.4 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 . 83 15.6 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 13 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 1 0 2 0 0 0 2 4 2 3 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 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 2 2 2 0 0 2 0 3 1 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 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 19 A S >> 0 0 96 0, 0.0 4,-2.0 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 158.0 62.9 7.1 85.0 2 20 A E H 3> + 0 0 90 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.844 360.0 51.2 -44.3 -46.6 59.3 8.2 84.0 3 21 A K H 3> S+ 0 0 135 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.834 107.4 53.2 -67.0 -33.9 60.3 8.4 80.3 4 22 A L H <> S+ 0 0 102 -3,-0.7 4,-3.1 2,-0.2 5,-0.2 0.877 106.1 53.0 -70.6 -36.9 61.8 4.8 80.5 5 23 A T H X S+ 0 0 75 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.887 107.9 51.6 -62.7 -42.3 58.5 3.5 82.0 6 24 A F H X S+ 0 0 9 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.963 114.6 42.4 -54.1 -55.8 56.6 5.1 79.0 7 25 A K H X S+ 0 0 96 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.926 116.4 46.8 -58.6 -51.7 58.9 3.4 76.5 8 26 A T H X S+ 0 0 65 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.931 112.6 50.1 -61.2 -46.3 59.0 0.0 78.3 9 27 A D H X S+ 0 0 50 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.870 110.3 49.6 -61.8 -38.7 55.2 -0.1 78.8 10 28 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.933 112.9 46.8 -66.0 -43.2 54.5 0.7 75.1 11 29 A E H X S+ 0 0 58 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.881 108.1 56.1 -64.3 -39.7 56.9 -2.0 74.0 12 30 A K H X S+ 0 0 67 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.903 109.6 46.9 -57.1 -41.2 55.4 -4.4 76.5 13 31 A L H X S+ 0 0 17 -4,-1.8 4,-2.6 1,-0.2 6,-0.3 0.881 108.6 55.7 -67.8 -38.6 52.0 -3.7 74.8 14 32 A E H <>S+ 0 0 17 -4,-2.1 5,-1.8 2,-0.2 4,-0.5 0.893 113.5 40.1 -61.0 -40.6 53.6 -4.2 71.3 15 33 A R H ><5S+ 0 0 182 -4,-2.1 3,-0.6 3,-0.2 -2,-0.2 0.949 119.3 43.8 -77.4 -46.1 54.9 -7.7 72.1 16 34 A E H 3<5S+ 0 0 126 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.855 122.5 37.5 -68.5 -35.4 51.8 -8.9 74.0 17 35 A K T 3<5S- 0 0 74 -4,-2.6 -1,-0.2 -5,-0.2 226,-0.2 0.324 104.6-121.3-103.5 9.3 49.3 -7.5 71.6 18 36 A A T < 5 + 0 0 40 -3,-0.6 225,-0.4 -4,-0.5 2,-0.3 0.909 68.7 136.3 56.4 48.9 51.2 -8.2 68.3 19 37 A A < - 0 0 7 -5,-1.8 2,-0.5 -6,-0.3 222,-0.2 -0.851 59.9-136.6-135.0 153.2 51.1 -4.5 67.5 20 38 A Q E -A 240 0A 67 220,-2.1 220,-1.9 -2,-0.3 2,-0.5 -0.974 28.5-160.6-104.1 124.9 53.0 -1.4 66.2 21 39 A I E -A 239 0A 0 -2,-0.5 2,-0.5 218,-0.2 218,-0.2 -0.943 7.2-169.7-117.6 116.2 52.3 1.6 68.3 22 40 A G E +A 238 0A 0 216,-3.7 216,-2.9 -2,-0.5 2,-0.4 -0.928 13.6 172.0-105.0 123.1 53.0 5.1 67.0 23 41 A V E +AB 237 36A 0 13,-2.6 13,-1.7 -2,-0.5 2,-0.4 -0.995 12.8 170.9-135.1 136.0 52.8 8.0 69.5 24 42 A A E -AB 236 35A 0 212,-1.9 212,-2.6 -2,-0.4 2,-0.4 -0.993 5.1-177.4-140.3 132.9 53.6 11.7 69.4 25 43 A I E +AB 235 34A 0 9,-2.3 8,-3.3 -2,-0.4 9,-1.4 -0.997 11.3 176.3-129.1 128.4 52.8 14.3 72.0 26 44 A V E -AB 234 32A 0 208,-3.0 208,-2.7 -2,-0.4 6,-0.2 -0.882 27.0-120.7-129.1 157.7 53.6 18.0 71.5 27 45 A D > - 0 0 40 4,-1.9 3,-2.6 -2,-0.3 206,-0.2 -0.332 51.8 -82.8 -85.3 175.9 53.1 21.2 73.3 28 46 A P T 3 S+ 0 0 36 0, 0.0 144,-0.2 0, 0.0 205,-0.1 0.720 130.9 52.4 -57.3 -21.2 51.2 24.1 71.7 29 47 A Q T 3 S- 0 0 142 2,-0.1 136,-0.0 144,-0.0 140,-0.0 0.258 121.0-104.5-100.5 8.0 54.4 25.2 69.9 30 48 A G S < S+ 0 0 11 -3,-2.6 2,-0.1 1,-0.3 135,-0.1 0.490 70.1 146.7 90.4 5.2 55.0 21.8 68.4 31 49 A E - 0 0 119 1,-0.1 -4,-1.9 134,-0.0 2,-0.4 -0.470 55.8 -98.5 -79.5 149.7 57.9 20.8 70.7 32 50 A I E +B 26 0A 90 -6,-0.2 -6,-0.2 1,-0.2 3,-0.1 -0.500 43.3 165.5 -76.5 122.0 58.3 17.2 71.6 33 51 A V E S- 0 0 53 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.802 72.3 -18.9 -95.7 -41.0 56.9 16.0 75.0 34 52 A A E +B 25 0A 12 -9,-1.4 -9,-2.3 2,-0.0 -1,-0.4 -0.956 64.9 175.0-164.5 148.8 57.0 12.2 74.3 35 53 A G E -B 24 0A 29 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.967 17.1-172.9-155.4 173.1 57.2 9.8 71.4 36 54 A H E S-B 23 0A 21 -13,-1.7 -13,-2.6 -2,-0.3 4,-0.1 -0.855 89.3 -9.1-167.1 128.2 57.4 6.2 70.1 37 55 A R S > S+ 0 0 84 -2,-0.3 3,-1.4 -15,-0.2 124,-0.1 0.859 88.1 160.7 41.9 40.2 57.9 5.2 66.5 38 56 A M T 3 + 0 0 44 1,-0.3 123,-2.7 122,-0.1 124,-0.4 0.715 65.9 38.8 -73.8 -20.0 57.2 8.9 66.0 39 57 A A T 3 S+ 0 0 79 121,-0.2 -1,-0.3 120,-0.1 2,-0.3 0.192 91.3 114.6-112.2 15.8 58.7 9.3 62.5 40 58 A Q S < S- 0 0 60 -3,-1.4 2,-0.3 -4,-0.1 121,-0.1 -0.619 71.6-112.9 -81.4 141.9 57.4 5.9 61.3 41 59 A R + 0 0 103 -2,-0.3 2,-0.3 118,-0.2 118,-0.2 -0.604 39.7 171.0 -80.3 131.5 54.7 5.9 58.5 42 60 A F E -E 158 0B 10 116,-2.1 116,-2.3 -2,-0.3 2,-0.2 -0.966 41.2 -96.1-133.3 154.6 51.2 4.8 59.4 43 61 A A E -E 157 0B 6 -2,-0.3 114,-0.3 114,-0.2 196,-0.1 -0.454 26.7-142.1 -67.9 137.4 48.0 4.9 57.4 44 62 A M > + 0 0 0 112,-3.0 3,-1.6 94,-0.2 -1,-0.1 0.890 30.4 177.0 -64.4 -36.0 45.9 8.0 58.3 45 63 A a G > S- 0 0 1 111,-0.5 3,-1.0 101,-0.4 -1,-0.1 -0.328 71.2 -23.5 50.2-147.1 42.6 6.2 58.0 46 64 A S G > S+ 0 0 11 1,-0.2 3,-1.9 168,-0.2 4,-0.3 0.494 115.7 97.1 -67.6 -1.8 39.8 8.6 59.0 47 65 A T G X S+ 0 0 0 -3,-1.6 3,-1.2 1,-0.3 -1,-0.2 0.785 72.4 67.2 -60.4 -24.5 42.1 10.8 61.1 48 66 A F G <> S+ 0 0 0 -3,-1.0 4,-2.2 1,-0.3 -1,-0.3 0.573 79.0 79.6 -71.5 -13.7 42.5 13.2 58.2 49 67 A K H <> S+ 0 0 1 -3,-1.9 4,-1.7 2,-0.2 -1,-0.3 0.726 87.3 58.3 -71.0 -22.5 38.9 14.3 58.4 50 68 A F H <> S+ 0 0 2 -3,-1.2 4,-1.6 -4,-0.3 3,-0.3 0.969 109.1 42.9 -72.5 -53.7 39.8 16.6 61.3 51 69 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 -2,-0.2 0.834 109.5 59.6 -53.0 -35.9 42.4 18.4 59.1 52 70 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.931 105.5 48.6 -57.5 -44.8 39.7 18.4 56.2 53 71 A A H X S+ 0 0 1 -4,-1.7 4,-2.5 -3,-0.3 -1,-0.2 0.827 108.6 53.6 -63.7 -38.7 37.5 20.3 58.6 54 72 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.940 107.5 50.7 -60.4 -47.2 40.3 22.7 59.3 55 73 A L H X S+ 0 0 2 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.958 112.3 47.0 -55.7 -50.4 40.8 23.3 55.6 56 74 A V H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 3,-0.5 0.915 111.1 50.4 -57.1 -48.7 37.0 24.1 55.2 57 75 A F H X S+ 0 0 10 -4,-2.5 4,-3.5 1,-0.2 -1,-0.2 0.883 105.9 56.8 -61.0 -35.7 36.9 26.4 58.2 58 76 A E H X S+ 0 0 64 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.859 108.3 47.4 -63.2 -31.9 39.9 28.3 56.8 59 77 A R H X>S+ 0 0 65 -4,-1.4 5,-2.9 -3,-0.5 6,-1.2 0.888 113.3 46.9 -78.0 -38.6 37.9 28.9 53.6 60 78 A I H ><5S+ 0 0 45 -4,-2.3 3,-0.9 4,-0.2 -2,-0.2 0.954 111.9 52.4 -57.2 -53.8 34.8 30.0 55.6 61 79 A D H 3<5S+ 0 0 50 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.905 113.8 42.7 -47.7 -48.3 37.2 32.2 57.7 62 80 A S H 3<5S- 0 0 83 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.600 114.9-113.2 -78.3 -16.4 38.6 33.8 54.5 63 81 A G T <<5S+ 0 0 64 -4,-1.0 -3,-0.2 -3,-0.9 -2,-0.1 0.654 88.8 111.6 89.3 17.1 35.2 34.2 52.8 64 82 A T S - 0 0 157 -2,-0.3 3,-1.4 1,-0.1 30,-0.4 -0.991 8.5-144.7-123.4 127.3 29.9 29.4 53.0 67 85 A G T 3 S+ 0 0 12 -2,-0.4 30,-2.4 1,-0.3 31,-0.3 0.822 101.7 43.3 -57.5 -37.3 28.9 27.3 55.9 68 86 A D T 3 S+ 0 0 118 28,-0.2 2,-0.3 27,-0.2 -1,-0.3 0.283 81.9 132.0 -96.5 10.3 25.2 26.9 54.8 69 87 A R < - 0 0 76 -3,-1.4 27,-1.3 1,-0.1 2,-0.4 -0.483 61.0-121.2 -64.0 126.3 26.1 26.3 51.2 70 88 A K E -F 95 0C 107 -2,-0.3 2,-0.8 25,-0.2 25,-0.3 -0.555 18.9-156.2 -75.9 120.0 24.1 23.3 49.9 71 89 A L E -F 94 0C 1 23,-3.7 23,-1.8 -2,-0.4 2,-0.1 -0.869 16.6-150.0 -97.3 104.2 26.3 20.4 48.6 72 90 A S E +F 93 0C 80 -2,-0.8 2,-0.3 21,-0.2 21,-0.2 -0.443 25.6 155.5 -76.4 147.8 24.1 18.4 46.1 73 91 A Y - 0 0 22 19,-1.5 19,-0.0 16,-0.2 -2,-0.0 -0.979 27.2-143.1-165.4 155.6 24.5 14.6 45.6 74 92 A G > - 0 0 36 -2,-0.3 3,-2.2 4,-0.0 4,-0.3 -0.520 52.0 -74.7-112.4-173.5 22.8 11.4 44.5 75 93 A P G > S+ 0 0 90 0, 0.0 3,-2.6 0, 0.0 14,-0.0 0.793 120.9 73.0 -55.7 -34.2 23.1 7.7 45.6 76 94 A D G 3 S+ 0 0 166 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.675 87.5 65.0 -52.6 -21.4 26.5 7.3 43.9 77 95 A M G < S+ 0 0 31 -3,-2.2 2,-0.4 8,-0.1 -1,-0.3 0.654 82.0 97.3 -76.6 -17.6 27.9 9.5 46.7 78 96 A I < + 0 0 41 -3,-2.6 2,-0.2 -4,-0.3 3,-0.1 -0.613 47.4 159.2 -77.8 129.8 27.0 6.8 49.3 79 97 A V - 0 0 42 -2,-0.4 31,-0.3 1,-0.1 3,-0.2 -0.817 53.1 -47.7-135.5 176.6 29.9 4.4 50.2 80 98 A E S S+ 0 0 141 -2,-0.2 29,-0.3 1,-0.2 -1,-0.1 -0.151 123.6 15.4 -53.0 138.6 30.5 2.2 53.3 81 99 A W S S+ 0 0 154 1,-0.1 28,-2.6 28,-0.1 29,-0.2 0.977 77.6 138.6 57.5 65.7 29.9 3.9 56.6 82 100 A S > + 0 0 2 26,-0.2 4,-2.1 27,-0.2 5,-0.2 -0.479 12.0 154.2-128.1 60.6 28.0 7.0 55.4 83 101 A P H > S+ 0 0 14 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.807 75.0 39.3 -68.1 -33.2 25.3 7.2 58.1 84 102 A A H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.1 5,-0.2 0.909 115.2 53.7 -78.0 -43.9 24.5 11.0 57.8 85 103 A T H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.823 107.2 51.7 -56.5 -39.5 24.8 11.0 54.0 86 104 A E H < S+ 0 0 113 -4,-2.1 4,-0.5 2,-0.2 3,-0.3 0.918 109.9 49.1 -65.2 -44.8 22.3 8.2 53.8 87 105 A R H < S+ 0 0 25 -4,-1.1 4,-0.3 1,-0.2 388,-0.3 0.833 115.7 42.2 -62.2 -39.5 19.8 10.1 55.9 88 106 A F H X>S+ 0 0 15 -4,-2.0 4,-1.2 1,-0.2 5,-0.8 0.559 89.2 93.4 -86.2 -11.7 20.1 13.3 53.9 89 107 A L T ><5S+ 0 0 46 -4,-1.0 3,-0.7 -3,-0.3 -1,-0.2 0.879 82.5 52.6 -46.1 -54.7 20.1 11.6 50.5 90 108 A A T 345S+ 0 0 34 -4,-0.5 -1,-0.2 1,-0.2 384,-0.2 0.933 106.7 52.9 -48.8 -49.6 16.3 12.0 50.0 91 109 A S T 345S- 0 0 31 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.723 111.1-127.6 -65.7 -23.4 16.5 15.7 50.7 92 110 A G T <<5 + 0 0 26 -4,-1.2 -19,-1.5 -3,-0.7 2,-0.3 0.341 68.4 37.3 100.3 -2.4 19.2 16.0 48.0 93 111 A H E < -F 72 0C 20 -5,-0.8 2,-0.3 -21,-0.2 -21,-0.2 -0.993 52.6-144.1-163.9 163.8 22.0 17.7 49.8 94 112 A M E -F 71 0C 0 -23,-1.8 -23,-3.7 -2,-0.3 2,-0.1 -0.965 32.6-122.1-127.4 148.6 24.1 18.4 52.9 95 113 A T E > -F 70 0C 12 -2,-0.3 4,-2.4 -25,-0.3 5,-0.2 -0.366 32.5-101.5 -75.2 170.2 25.4 21.9 53.7 96 114 A V H > S+ 0 0 0 -27,-1.3 4,-2.2 -30,-0.4 5,-0.2 0.948 123.9 42.4 -55.3 -49.7 29.2 22.6 54.1 97 115 A L H > S+ 0 0 55 -30,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.864 111.6 53.6 -70.0 -41.2 28.8 22.6 58.0 98 116 A E H > S+ 0 0 43 -31,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.958 113.0 44.0 -53.6 -56.5 26.4 19.6 58.1 99 117 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.856 113.9 49.1 -59.9 -40.2 28.9 17.4 56.1 100 118 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.911 111.9 49.9 -69.2 -38.7 32.0 18.6 58.0 101 119 A Q H X S+ 0 0 27 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.869 111.8 48.0 -62.9 -36.6 30.2 17.9 61.3 102 120 A A H X S+ 0 0 7 -4,-1.9 4,-1.9 2,-0.2 6,-1.7 0.907 111.6 50.8 -69.5 -44.8 29.2 14.4 60.0 103 121 A A H < S+ 0 0 1 -4,-2.5 4,-0.4 4,-0.3 -2,-0.2 0.882 118.3 36.9 -57.2 -45.4 32.8 13.8 58.9 104 122 A V H < S+ 0 0 0 -4,-2.3 108,-0.2 -5,-0.1 -2,-0.2 0.944 126.6 30.9 -79.3 -46.7 34.3 14.8 62.2 105 123 A Q H < S+ 0 0 19 -4,-2.2 87,-2.2 -5,-0.2 88,-0.2 0.657 135.7 24.8 -94.0 -22.0 31.8 13.4 64.8 106 124 A L S < S- 0 0 17 -4,-1.9 -3,-0.2 -5,-0.3 -1,-0.2 0.365 95.1-128.2-115.1 -3.5 30.5 10.4 62.9 107 125 A S - 0 0 10 -5,-0.4 -4,-0.3 -4,-0.4 2,-0.2 0.792 39.6-173.0 59.3 31.6 33.5 9.7 60.6 108 126 A D > - 0 0 0 -6,-1.7 4,-1.8 1,-0.1 -26,-0.2 -0.411 17.0-161.3 -68.7 122.1 31.0 9.7 57.7 109 127 A N H > S+ 0 0 11 -28,-2.6 4,-2.4 -29,-0.3 34,-0.3 0.911 87.7 51.0 -73.9 -48.8 32.8 8.7 54.5 110 128 A G H > S+ 0 0 0 -31,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.858 110.8 49.7 -50.5 -42.9 30.2 10.0 52.0 111 129 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.908 110.1 51.1 -69.9 -40.6 30.3 13.4 53.7 112 130 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.898 111.3 47.8 -54.9 -45.7 34.1 13.4 53.6 113 131 A N H X S+ 0 0 6 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.840 107.7 56.1 -68.2 -32.4 34.0 12.6 49.9 114 132 A L H X S+ 0 0 0 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.936 110.9 43.3 -64.6 -46.6 31.4 15.4 49.3 115 133 A L H >X S+ 0 0 2 -4,-2.0 4,-1.7 2,-0.2 3,-0.6 0.929 110.8 54.9 -63.5 -47.0 33.7 18.0 50.9 116 134 A L H 3X>S+ 0 0 3 -4,-2.3 5,-3.5 1,-0.3 4,-1.1 0.873 105.4 54.3 -53.3 -40.5 36.8 16.7 49.0 117 135 A R H 3<5S+ 0 0 119 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.856 112.6 44.1 -59.9 -35.9 34.8 17.1 45.8 118 136 A E H <<5S+ 0 0 48 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.724 115.7 43.6 -85.3 -25.0 34.2 20.8 46.7 119 137 A I H <5S- 0 0 8 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.402 125.5 -84.4-107.2 -3.2 37.6 21.8 47.9 120 138 A G T X5 - 0 0 50 -4,-1.1 4,-1.2 -5,-0.2 3,-0.3 0.680 62.9-101.1 108.0 23.0 39.8 20.1 45.2 121 139 A G H >>< - 0 0 15 -5,-3.5 4,-2.1 1,-0.2 3,-0.6 0.095 69.4 -30.1 72.9-173.4 40.3 16.5 46.2 122 140 A P H 3> S+ 0 0 26 0, 0.0 4,-2.3 0, 0.0 17,-0.4 0.840 134.2 57.1 -49.1 -39.0 43.2 14.7 47.8 123 141 A A H 3> S+ 0 0 69 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.911 108.3 45.6 -61.5 -43.4 45.7 17.0 46.1 124 142 A A H S+ 0 0 0 -4,-1.4 5,-3.0 -3,-0.3 -2,-0.2 0.932 114.6 44.9 -53.3 -51.8 49.0 20.1 55.0 130 148 A R H ><5S+ 0 0 79 -4,-2.0 3,-1.9 3,-0.2 -2,-0.2 0.912 108.9 55.4 -60.4 -48.6 52.0 21.6 53.2 131 149 A K H 3<5S+ 0 0 158 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.889 110.4 46.6 -55.3 -40.3 50.7 25.2 53.5 132 150 A I T 3<5S- 0 0 23 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.293 129.3 -94.6 -89.6 13.5 50.4 24.7 57.3 133 151 A G T < 5S+ 0 0 67 -3,-1.9 2,-0.7 1,-0.3 -3,-0.2 0.441 83.5 129.1 99.0 -0.7 54.0 23.2 57.6 134 152 A D < + 0 0 6 -5,-3.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.818 24.1 171.9 -85.2 112.9 53.3 19.4 57.4 135 153 A S S S+ 0 0 92 -2,-0.7 -1,-0.1 -3,-0.1 -5,-0.1 0.279 73.7 49.3-100.2 9.3 55.6 18.1 54.7 136 154 A V S S+ 0 0 31 -7,-0.1 21,-0.2 23,-0.1 -6,-0.1 0.777 81.3 89.9-117.1 -57.6 54.8 14.5 55.5 137 155 A S + 0 0 0 22,-0.1 2,-0.3 -8,-0.1 21,-0.2 -0.139 53.5 178.9 -51.3 135.9 51.0 13.9 55.6 138 156 A R - 0 0 70 19,-1.9 2,-0.5 16,-0.1 19,-0.3 -0.942 21.9-163.3-146.7 126.6 49.5 13.0 52.2 139 157 A L + 0 0 3 -17,-0.4 -13,-0.3 -2,-0.3 3,-0.1 -0.923 20.7 160.0-102.1 131.5 46.0 12.2 51.1 140 158 A D + 0 0 57 -2,-0.5 2,-0.3 1,-0.2 -17,-0.2 0.617 56.9 39.6-120.6 -33.0 46.0 10.5 47.7 141 159 A R S S- 0 0 35 -19,-0.1 -1,-0.2 5,-0.1 2,-0.1 -0.806 72.5-113.8-125.3 164.5 42.6 8.8 47.6 142 160 A K > - 0 0 110 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.280 60.0 -50.3 -78.4 173.0 38.9 9.2 48.5 143 161 A E T 4 S+ 0 0 10 -34,-0.3 -1,-0.1 1,-0.2 -30,-0.0 -0.649 114.2 17.3 -84.1 149.4 37.2 7.1 51.1 144 162 A P T >4 S+ 0 0 30 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.997 122.5 52.4 -88.6 -10.9 37.0 4.2 51.6 145 163 A E G >4 S+ 0 0 77 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.689 92.6 74.6 -64.0 -20.8 40.0 3.1 49.4 146 164 A M G 3< S+ 0 0 1 -4,-1.9 -101,-0.4 1,-0.3 -1,-0.3 0.583 94.3 57.1 -62.9 -9.3 42.4 5.5 51.1 147 165 A G G < + 0 0 6 -3,-2.1 69,-2.3 -5,-0.2 -1,-0.3 0.229 67.0 109.5-107.8 11.6 42.2 3.0 54.0 148 166 A D < - 0 0 81 -3,-1.8 -1,-0.1 67,-0.1 -2,-0.1 0.813 62.0-159.7 -55.2 -34.3 43.4 -0.1 52.2 149 167 A N - 0 0 32 -3,-0.2 3,-0.1 -4,-0.2 -1,-0.1 0.900 12.7-165.7 56.1 47.4 46.6 0.2 54.2 150 168 A T > - 0 0 68 1,-0.1 3,-2.2 5,-0.1 -1,-0.2 -0.441 32.1 -89.6 -67.9 133.9 48.6 -1.9 51.7 151 169 A P T 3 S- 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.166 108.8 -0.6 -38.6 121.7 52.0 -3.2 52.9 152 170 A G T 3 S+ 0 0 83 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.342 92.3 141.1 76.3 -4.7 54.7 -0.6 52.0 153 171 A D < - 0 0 46 -3,-2.2 -1,-0.2 1,-0.1 -4,-0.0 -0.546 37.3-164.6 -79.3 127.2 52.4 1.9 50.3 154 172 A L > + 0 0 92 -2,-0.3 3,-1.0 3,-0.1 -1,-0.1 0.650 56.2 109.7 -83.9 -17.3 53.2 5.6 51.1 155 173 A R T 3 S+ 0 0 96 1,-0.2 -16,-0.1 -15,-0.1 -6,-0.1 -0.309 84.3 9.1 -58.4 140.4 49.8 6.8 49.9 156 174 A D T 3 S+ 0 0 1 -18,-0.3 -112,-3.0 1,-0.2 -111,-0.5 0.772 101.7 127.0 64.7 31.8 47.4 8.1 52.5 157 175 A T E < +E 43 0B 8 -3,-1.0 -19,-1.9 -19,-0.3 2,-0.2 -0.748 31.8 173.5-115.0 161.8 50.0 8.1 55.3 158 176 A T E -E 42 0B 0 -116,-2.3 -116,-2.1 -2,-0.3 3,-0.1 -0.742 29.7-114.4-137.0-167.6 51.4 10.4 57.9 159 177 A T > - 0 0 9 -2,-0.2 4,-2.6 -118,-0.2 5,-0.3 -0.961 27.3-114.3-124.1 158.1 53.7 10.0 60.9 160 178 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.956 117.1 44.6 -57.0 -51.5 52.8 10.4 64.5 161 179 A I H > S+ 0 0 19 -123,-2.7 4,-2.4 1,-0.2 5,-0.2 0.913 112.3 51.9 -56.4 -45.6 55.0 13.5 65.0 162 180 A A H > S+ 0 0 10 -124,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.901 114.8 42.5 -59.7 -40.0 53.9 15.1 61.6 163 181 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.908 111.6 52.7 -76.6 -38.1 50.2 14.7 62.6 164 182 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.911 111.9 47.8 -60.0 -40.8 50.6 15.8 66.2 165 183 A R H X S+ 0 0 106 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.872 109.9 52.3 -67.1 -38.2 52.4 19.0 65.0 166 184 A T H X S+ 0 0 3 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.925 108.5 50.9 -61.4 -38.5 49.6 19.5 62.5 167 185 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.910 110.2 49.3 -65.9 -40.9 47.1 19.3 65.3 168 186 A A H X>S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 5,-0.8 0.893 110.8 51.4 -64.1 -42.0 49.1 21.9 67.3 169 187 A K H X5S+ 0 0 84 -4,-2.3 6,-1.1 3,-0.2 4,-1.0 0.919 111.8 45.1 -59.8 -49.0 49.2 24.2 64.3 170 188 A V H <5S+ 0 0 1 -4,-2.6 6,-0.4 1,-0.2 -2,-0.2 0.896 125.3 30.5 -64.1 -42.7 45.4 24.0 63.7 171 189 A L H <5S+ 0 0 11 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.775 137.7 13.7 -91.8 -32.1 44.4 24.5 67.4 172 190 A Y H <5S+ 0 0 59 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.469 112.0 70.1-126.6 -7.5 47.1 26.6 68.9 173 191 A G S < - 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0 0 115 1,-0.1 -4,-2.4 -5,-0.1 -1,-0.3 -0.546 56.1-100.4 -75.6 136.6 -6.6 18.7 58.8 299 50 B I E +H 293 0D 68 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.343 41.1 170.5 -65.2 121.5 -7.0 14.9 59.3 300 51 B V E - 0 0 46 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.832 69.9 -34.4 -92.8 -42.6 -5.6 12.7 56.5 301 52 B A E +H 292 0D 16 -9,-1.4 -9,-2.4 2,-0.0 -1,-0.4 -0.951 64.9 171.9-170.8 169.4 -5.9 9.4 58.4 302 53 B G E -H 291 0D 25 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.991 21.6-149.8-176.1 165.8 -5.6 8.0 61.9 303 54 B H E S-H 290 0D 20 -13,-2.5 -13,-2.9 -2,-0.3 4,-0.1 -0.943 89.5 -8.3-154.1 138.4 -6.0 5.1 64.4 304 55 B R S > S+ 0 0 91 -2,-0.3 3,-1.6 -15,-0.2 124,-0.1 0.864 83.3 164.7 36.2 43.6 -6.8 5.5 68.1 305 56 B M T 3 + 0 0 59 1,-0.3 123,-2.4 122,-0.1 124,-0.4 0.757 69.2 43.8 -56.9 -30.6 -6.2 9.2 67.3 306 57 B A T 3 S+ 0 0 83 121,-0.2 -1,-0.3 120,-0.1 2,-0.2 0.386 89.5 112.6 -98.8 0.9 -7.8 10.3 70.6 307 58 B Q < - 0 0 52 -3,-1.6 2,-0.3 -4,-0.1 121,-0.1 -0.497 69.5-116.2 -80.9 143.4 -6.1 7.8 72.8 308 59 B R + 0 0 98 -2,-0.2 2,-0.3 118,-0.2 118,-0.2 -0.617 38.0 173.7 -81.5 135.2 -3.6 8.8 75.5 309 60 B F E -K 425 0E 10 116,-2.6 116,-2.5 -2,-0.3 2,-0.1 -0.970 39.2 -97.9-135.5 149.8 -0.0 7.5 75.0 310 61 B A E -K 424 0E 6 -2,-0.3 114,-0.2 114,-0.2 196,-0.1 -0.435 26.5-146.4 -59.0 133.8 3.2 8.1 76.9 311 62 B M > + 0 0 0 112,-2.2 3,-1.4 102,-0.2 -1,-0.1 0.888 28.2 177.5 -68.5 -36.6 5.3 10.7 74.9 312 63 B b G > S- 0 0 1 111,-0.5 3,-1.3 101,-0.4 -1,-0.1 -0.316 71.0 -23.5 50.8-146.7 8.6 9.1 75.9 313 64 B S G > S+ 0 0 10 1,-0.3 3,-2.3 168,-0.2 4,-0.3 0.539 117.1 95.2 -67.8 -6.6 11.4 11.1 74.2 314 65 B T G X S+ 0 0 0 -3,-1.4 3,-1.3 1,-0.3 -1,-0.3 0.807 74.5 66.5 -58.3 -25.2 9.1 12.3 71.4 315 66 B F G <> S+ 0 0 0 -3,-1.3 4,-2.2 1,-0.3 -1,-0.3 0.645 80.2 78.7 -68.3 -15.2 8.6 15.6 73.5 316 67 B K H <> S+ 0 0 0 -3,-2.3 4,-2.1 2,-0.2 -1,-0.3 0.772 87.7 58.6 -65.8 -23.9 12.3 16.5 73.0 317 68 B F H <> S+ 0 0 3 -3,-1.3 4,-2.0 -4,-0.3 3,-0.2 0.990 109.5 41.3 -65.9 -60.6 11.2 17.7 69.5 318 69 B P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.794 110.0 60.4 -52.3 -33.7 8.7 20.2 70.9 319 70 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.970 105.8 47.0 -59.2 -49.4 11.4 21.0 73.6 320 71 B A H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.894 110.5 51.9 -57.7 -42.5 13.7 22.1 70.7 321 72 B A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.893 108.5 52.0 -60.2 -41.9 10.9 24.2 69.1 322 73 B L H X S+ 0 0 2 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.898 111.2 46.6 -59.1 -46.0 10.3 25.9 72.4 323 74 B V H X S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.871 111.4 50.6 -64.7 -42.5 14.0 26.8 72.7 324 75 B F H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 120,-0.2 0.755 107.3 55.3 -70.9 -26.7 14.1 28.0 69.0 325 76 B E H X S+ 0 0 34 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.830 106.6 50.4 -66.7 -37.9 11.1 30.2 69.8 326 77 B R H <>S+ 0 0 52 -4,-1.4 5,-2.2 2,-0.2 6,-1.4 0.861 111.8 47.7 -66.8 -39.0 13.0 31.7 72.7 327 78 B I H ><5S+ 0 0 50 -4,-1.8 3,-1.7 4,-0.2 -2,-0.2 0.963 113.4 47.2 -64.3 -53.5 15.9 32.4 70.4 328 79 B D H 3<5S+ 0 0 53 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.799 111.6 53.1 -51.1 -35.6 13.5 33.9 67.7 329 80 B S T 3<5S- 0 0 62 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.293 113.5-115.7 -92.4 8.7 11.9 36.0 70.5 330 81 B G T < 5S+ 0 0 70 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.602 90.0 107.1 70.3 12.3 15.1 37.5 71.7 331 82 B T S - 0 0 159 -2,-0.3 3,-1.0 1,-0.1 30,-0.4 -0.963 10.1-148.1-109.0 129.5 21.1 32.9 73.0 334 85 B G T 3 S+ 0 0 12 -2,-0.4 30,-2.4 1,-0.2 31,-0.3 0.824 100.3 44.9 -62.0 -34.7 21.9 29.8 70.9 335 86 B D T 3 S+ 0 0 118 28,-0.2 -1,-0.2 27,-0.2 2,-0.1 0.405 82.9 132.1 -91.3 4.6 25.6 29.9 71.8 336 87 B R < - 0 0 66 -3,-1.0 27,-1.5 1,-0.1 2,-0.5 -0.372 61.0-120.5 -58.9 128.6 24.9 30.5 75.5 337 88 B K E -L 362 0F 116 25,-0.2 2,-0.7 -2,-0.1 25,-0.3 -0.593 19.8-158.6 -79.9 118.8 26.9 28.2 77.7 338 89 B L E -L 361 0F 1 23,-2.9 23,-1.8 -2,-0.5 2,-0.1 -0.860 16.9-152.4 -97.2 109.4 24.9 25.9 80.0 339 90 B S E +L 360 0F 75 -2,-0.7 2,-0.3 21,-0.2 21,-0.2 -0.463 23.6 156.1 -88.3 152.3 27.1 24.8 82.8 340 91 B Y - 0 0 21 19,-1.8 19,-0.0 16,-0.2 -2,-0.0 -0.986 26.4-140.8-166.8 160.5 26.7 21.5 84.8 341 92 B G > - 0 0 34 -2,-0.3 3,-1.9 4,-0.0 4,-0.3 -0.520 53.4 -65.2-117.7-171.2 28.4 18.9 86.9 342 93 B P G > S+ 0 0 94 0, 0.0 3,-1.8 0, 0.0 14,-0.0 0.778 120.9 67.7 -46.0 -42.7 28.2 15.0 87.2 343 94 B D G 3 S+ 0 0 157 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.701 86.6 69.1 -56.4 -23.5 24.6 14.9 88.5 344 95 B M G < S+ 0 0 24 -3,-1.9 2,-0.5 8,-0.1 -1,-0.3 0.819 81.7 92.5 -64.1 -29.9 23.3 16.1 85.1 345 96 B I < + 0 0 41 -3,-1.8 2,-0.2 -4,-0.3 3,-0.1 -0.534 52.9 157.0 -68.9 116.4 24.4 12.7 83.7 346 97 B V - 0 0 43 -2,-0.5 31,-0.3 1,-0.2 3,-0.2 -0.692 54.5 -47.0-124.5-176.9 21.5 10.2 83.8 347 98 B E S S+ 0 0 138 -2,-0.2 29,-0.2 1,-0.2 -1,-0.2 -0.258 124.4 16.1 -57.2 143.2 20.8 7.1 81.8 348 99 B W S S+ 0 0 160 1,-0.1 28,-2.9 28,-0.1 29,-0.2 0.968 78.2 137.4 50.3 70.5 21.4 7.6 78.1 349 100 B S > + 0 0 7 26,-0.2 4,-2.3 -3,-0.2 5,-0.2 -0.481 11.6 156.7-133.9 62.2 23.4 10.8 78.0 350 101 B P H > S+ 0 0 20 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.871 77.8 36.1 -57.7 -46.0 26.1 10.2 75.4 351 102 B A H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.941 113.6 55.2 -75.6 -51.7 26.9 13.9 74.6 352 103 B T H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.925 109.1 51.7 -43.6 -51.1 26.4 15.3 78.1 353 104 B E H < S+ 0 0 87 -4,-2.3 4,-0.5 1,-0.2 3,-0.4 0.910 110.3 46.8 -51.8 -48.6 29.0 12.7 79.2 354 105 B R H < S+ 0 0 26 -4,-1.3 4,-0.3 1,-0.2 -146,-0.2 0.833 116.4 43.3 -66.9 -36.3 31.5 13.8 76.5 355 106 B F H X>S+ 0 0 13 -4,-2.4 4,-1.2 1,-0.2 5,-0.7 0.509 88.8 95.6 -87.7 -9.7 31.1 17.5 77.3 356 107 B L T ><5S+ 0 0 26 -4,-1.2 3,-1.2 -3,-0.4 -16,-0.2 0.912 83.5 47.7 -45.9 -59.3 31.1 17.0 81.1 357 108 B A T 345S+ 0 0 40 -4,-0.5 -1,-0.2 1,-0.3 -150,-0.2 0.873 105.2 59.8 -55.0 -40.2 34.9 17.7 81.6 358 109 B S T 345S- 0 0 29 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.768 109.7-128.9 -59.6 -28.4 34.5 20.9 79.4 359 110 B G T <<5 + 0 0 26 -3,-1.2 -19,-1.8 -4,-1.2 2,-0.3 0.244 69.2 32.3 103.7 -9.0 32.0 22.1 82.0 360 111 B H E < -L 339 0F 21 -5,-0.7 2,-0.3 -21,-0.2 -21,-0.2 -0.981 53.0-144.9-160.3 165.6 29.2 23.0 79.7 361 112 B M E -L 338 0F 0 -23,-1.8 -23,-2.9 -2,-0.3 2,-0.1 -0.951 34.8-120.1-130.0 150.2 27.1 22.5 76.6 362 113 B T E > -L 337 0F 16 -2,-0.3 4,-2.6 -25,-0.3 5,-0.3 -0.334 31.2-100.1 -79.3 169.3 25.6 25.5 74.8 363 114 B V H > S+ 0 0 2 -27,-1.5 4,-2.1 -30,-0.4 -28,-0.2 0.902 124.2 43.2 -53.2 -46.6 21.9 25.9 74.2 364 115 B L H > S+ 0 0 68 -30,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.909 112.1 52.0 -72.3 -41.1 22.2 24.7 70.6 365 116 B E H > S+ 0 0 40 -31,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.934 112.1 46.0 -57.7 -51.8 24.6 21.8 71.4 366 117 B A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.934 114.0 49.0 -58.8 -49.6 22.2 20.5 74.1 367 118 B A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.887 110.4 50.1 -54.8 -44.5 19.2 20.9 71.8 368 119 B Q H X S+ 0 0 45 -4,-3.0 4,-3.1 1,-0.2 5,-0.5 0.957 111.7 49.3 -62.7 -46.3 21.0 19.0 68.9 369 120 B A H X S+ 0 0 8 -4,-2.6 6,-1.9 1,-0.2 4,-1.5 0.868 110.4 51.3 -56.4 -40.5 21.9 16.2 71.3 370 121 B A H X S+ 0 0 1 -4,-2.3 4,-0.6 4,-0.2 -1,-0.2 0.931 118.8 35.6 -64.7 -44.3 18.2 16.0 72.5 371 122 B V H < S+ 0 0 0 -4,-2.2 108,-0.2 -5,-0.1 -2,-0.2 0.928 127.5 32.0 -74.2 -47.6 16.8 15.8 69.0 372 123 B Q H < S+ 0 0 18 -4,-3.1 87,-2.0 -5,-0.2 88,-0.3 0.721 135.5 22.8 -89.9 -27.4 19.4 13.7 67.1 373 124 B L H < S- 0 0 16 -4,-1.5 -3,-0.2 -5,-0.5 3,-0.1 0.435 92.9-126.6-117.3 -3.5 20.6 11.4 70.0 374 125 B S < - 0 0 11 -4,-0.6 -4,-0.2 -5,-0.4 2,-0.2 0.798 40.8-173.5 56.9 30.1 17.7 11.5 72.4 375 126 B D > - 0 0 0 -6,-1.9 4,-1.4 1,-0.1 -26,-0.2 -0.390 16.5-161.7 -61.9 124.0 20.3 12.6 75.0 376 127 B N H > S+ 0 0 10 -28,-2.9 4,-2.3 -29,-0.2 34,-0.3 0.902 86.9 52.6 -81.2 -47.8 18.6 12.7 78.4 377 128 B G H > S+ 0 0 0 -31,-0.3 4,-2.3 -29,-0.2 -1,-0.2 0.898 110.0 50.6 -47.6 -46.5 21.1 14.8 80.3 378 129 B A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.884 109.1 50.9 -63.9 -41.2 20.9 17.4 77.5 379 130 B T H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.909 111.4 47.3 -61.0 -47.0 17.1 17.5 77.7 380 131 B N H X S+ 0 0 7 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.875 107.9 55.9 -64.8 -41.8 17.2 18.0 81.5 381 132 B L H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.924 112.2 43.7 -54.7 -45.4 19.8 20.8 81.1 382 133 B L H X S+ 0 0 3 -4,-2.0 4,-1.4 2,-0.2 6,-0.3 0.880 110.9 53.3 -65.9 -43.9 17.4 22.6 78.8 383 134 B L H X>S+ 0 0 2 -4,-2.5 5,-2.0 2,-0.2 4,-1.2 0.923 107.6 53.0 -55.5 -44.6 14.4 21.9 81.0 384 135 B R H <5S+ 0 0 133 -4,-2.8 3,-0.2 1,-0.2 -1,-0.2 0.887 112.1 45.3 -55.8 -43.6 16.4 23.5 83.9 385 136 B E H <5S+ 0 0 59 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.664 114.5 46.5 -78.1 -17.5 17.0 26.5 81.8 386 137 B I H <5S- 0 0 15 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.539 123.6 -91.7-105.8 -3.0 13.4 27.0 80.5 387 138 B G T <5 - 0 0 60 -4,-1.2 3,-0.4 -3,-0.2 -3,-0.2 0.341 63.5-106.5 108.3 -3.6 11.6 26.5 83.8 388 139 B G S >> S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 17,-0.4 0.845 131.3 56.9 -46.1 -43.1 8.0 20.5 82.9 390 141 B A H 3> S+ 0 0 77 -3,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.812 107.3 48.3 -59.3 -36.1 5.5 23.4 83.6 391 142 B A H <> S+ 0 0 6 -3,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.864 108.6 52.5 -73.7 -39.7 7.2 25.5 80.9 392 143 B M H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.919 113.0 45.8 -59.9 -41.3 7.1 22.7 78.4 393 144 B T H X S+ 0 0 27 -4,-2.2 4,-2.6 13,-0.3 -2,-0.2 0.884 109.4 54.4 -71.2 -35.6 3.4 22.4 79.1 394 145 B Q H X S+ 0 0 107 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.937 108.9 49.7 -62.0 -45.2 2.9 26.2 78.9 395 146 B Y H X S+ 0 0 3 -4,-2.8 4,-1.8 2,-0.2 6,-0.2 0.942 108.3 51.8 -58.2 -51.6 4.5 26.0 75.4 396 147 B F H ><>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-0.7 0.961 113.6 45.6 -47.4 -54.5 2.2 23.2 74.3 397 148 B R H ><5S+ 0 0 96 -4,-2.6 3,-2.3 1,-0.2 -2,-0.2 0.930 107.7 56.5 -57.2 -49.5 -0.7 25.4 75.5 398 149 B K H 3<5S+ 0 0 113 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.785 107.6 49.3 -56.3 -31.0 0.6 28.6 73.8 399 150 B I T <<5S- 0 0 26 -4,-1.8 -1,-0.3 -3,-0.7 -2,-0.2 0.363 128.1 -96.3 -93.1 7.2 0.7 26.8 70.4 400 151 B G T < 5S+ 0 0 58 -3,-2.3 2,-0.7 1,-0.3 -3,-0.2 0.646 82.6 131.4 93.2 14.6 -2.8 25.5 70.8 401 152 B D < + 0 0 5 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.912 22.0 169.9 -96.1 112.8 -2.2 22.0 72.1 402 153 B S S S+ 0 0 96 -2,-0.7 -1,-0.1 -3,-0.1 -5,-0.1 0.279 72.7 52.2-103.3 8.9 -4.5 21.6 75.1 403 154 B V S S+ 0 0 37 -7,-0.1 21,-0.2 23,-0.1 -6,-0.1 0.825 82.4 86.1-111.5 -52.1 -3.7 17.9 75.4 404 155 B S - 0 0 0 22,-0.1 2,-0.3 -8,-0.1 21,-0.2 -0.205 55.2-179.8 -63.4 140.6 0.1 17.3 75.5 405 156 B R - 0 0 67 19,-2.0 2,-0.5 16,-0.1 19,-0.3 -0.944 23.6-157.8-149.1 124.5 1.6 17.6 79.0 406 157 B L + 0 0 3 -17,-0.4 -13,-0.3 -2,-0.3 3,-0.1 -0.883 23.0 160.8 -97.3 128.1 5.2 17.3 80.5 407 158 B D + 0 0 53 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.549 57.5 27.5-120.8 -19.8 5.1 16.5 84.2 408 159 B R S S- 0 0 36 -19,-0.1 -1,-0.2 -20,-0.1 2,-0.1 -0.921 71.9-107.7-144.8 164.9 8.6 15.1 84.9 409 160 B K > - 0 0 108 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.407 60.5 -47.2 -82.4 166.5 12.2 15.0 83.9 410 161 B E T 4 S+ 0 0 9 1,-0.3 -1,-0.1 -34,-0.3 -30,-0.0 -0.606 117.7 13.8 -75.9 142.9 14.1 12.2 82.1 411 162 B P T >4 S+ 0 0 36 0, 0.0 3,-2.2 0, 0.0 -1,-0.3 -1.000 123.2 55.2 -91.8 -3.3 14.1 9.4 82.7 412 163 B E G >4 S+ 0 0 87 1,-0.3 3,-2.0 2,-0.2 -2,-0.2 0.775 93.6 71.9 -60.0 -29.9 11.1 9.3 85.1 413 164 B M G 3< S+ 0 0 1 -4,-2.3 3,-0.4 1,-0.3 -101,-0.4 0.708 92.2 61.1 -57.9 -17.8 8.8 10.9 82.5 414 165 B G G < + 0 0 6 -3,-2.2 69,-1.7 -5,-0.2 -1,-0.3 0.363 65.7 108.2 -91.1 2.6 8.9 7.5 80.7 415 166 B D < - 0 0 73 -3,-2.0 -1,-0.2 67,-0.1 -2,-0.1 0.833 58.8-165.2 -48.0 -39.8 7.4 5.3 83.4 416 167 B N - 0 0 30 -3,-0.4 -2,-0.1 -4,-0.2 -1,-0.1 0.948 5.8-170.8 50.6 63.1 4.2 5.0 81.3 417 168 B T > - 0 0 69 5,-0.2 3,-2.5 1,-0.1 -1,-0.2 -0.760 33.4-103.5 -84.0 126.1 1.9 3.7 84.0 418 169 B P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.204 106.0 12.9 -53.0 133.4 -1.4 2.6 82.5 419 170 B G T 3 S+ 0 0 84 1,-0.3 2,-0.4 -111,-0.1 -3,-0.0 0.344 93.1 126.6 82.2 -7.5 -4.1 5.2 83.2 420 171 B D < - 0 0 41 -3,-2.5 -1,-0.3 1,-0.1 -4,-0.0 -0.730 44.4-163.1 -84.9 127.3 -1.6 7.9 84.4 421 172 B L > + 0 0 83 -2,-0.4 3,-1.1 -3,-0.1 -1,-0.1 0.683 54.4 110.9 -86.3 -19.1 -2.2 11.1 82.4 422 173 B R T 3 S+ 0 0 98 1,-0.2 -5,-0.2 -15,-0.1 -6,-0.1 -0.280 86.6 8.0 -54.7 136.0 1.2 12.6 83.4 423 174 B D T 3 S+ 0 0 1 -18,-0.3 -112,-2.2 1,-0.2 -111,-0.5 0.811 103.5 131.7 62.4 34.0 3.7 12.9 80.5 424 175 B T E < +K 310 0E 7 -3,-1.1 -19,-2.0 -19,-0.3 2,-0.3 -0.746 30.4 172.3-113.4 160.6 1.1 11.9 77.9 425 176 B T E -K 309 0E 0 -116,-2.5 -116,-2.6 -2,-0.3 3,-0.1 -0.816 27.4-119.8-139.0-174.3 -0.2 13.1 74.5 426 177 B T > - 0 0 9 -2,-0.3 4,-2.8 -118,-0.2 5,-0.3 -0.964 25.7-115.4-125.7 156.6 -2.5 11.8 71.9 427 178 B P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -136,-0.2 0.930 116.3 45.0 -56.3 -50.1 -1.7 11.0 68.3 428 179 B I H > S+ 0 0 20 -123,-2.4 4,-2.4 1,-0.2 5,-0.2 0.935 113.1 51.0 -58.6 -46.8 -3.9 13.7 66.9 429 180 B A H > S+ 0 0 11 -124,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.920 114.8 42.1 -58.7 -46.6 -2.7 16.4 69.4 430 181 B M H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.891 111.6 54.4 -71.5 -39.3 0.9 15.7 68.7 431 182 B A H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.924 110.4 47.1 -57.8 -44.5 0.5 15.5 64.9 432 183 B R H X S+ 0 0 100 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.836 111.0 52.8 -67.1 -31.0 -1.2 18.9 64.9 433 184 B T H X S+ 0 0 1 -4,-1.6 4,-2.8 -5,-0.2 -2,-0.2 0.911 108.6 49.5 -68.4 -42.8 1.6 20.2 67.1 434 185 B V H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.926 111.4 48.9 -58.5 -47.5 4.2 19.0 64.6 435 186 B A H X>S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 5,-1.0 0.879 112.0 49.3 -60.4 -40.2 2.3 20.7 61.8 436 187 B K H X5S+ 0 0 61 -4,-1.9 6,-1.5 3,-0.2 4,-0.9 0.939 113.2 46.4 -66.7 -46.0 2.1 23.9 63.7 437 188 B V H <5S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.2 -2,-0.2 0.892 126.5 28.3 -62.2 -40.3 5.8 23.8 64.5 438 189 B L H <5S+ 0 0 12 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.843 137.8 14.7 -94.8 -35.8 6.8 23.0 60.9 439 190 B Y H <5S+ 0 0 61 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.573 111.7 66.2-119.4 -15.3 4.1 24.5 58.7 440 191 B G S < - 0 0 64 -2,-0.3 4,-2.9 -120,-0.2 5,-0.2 -0.302 44.9-108.7 -59.6 155.7 11.1 31.8 62.0 445 196 B S H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.849 122.3 50.1 -54.7 -37.4 11.8 30.3 58.6 446 197 B T H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.952 113.0 44.1 -69.8 -47.2 15.5 29.9 59.6 447 198 B S H > S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.823 113.3 52.8 -65.0 -31.0 14.6 28.2 62.9 448 199 B T H X S+ 0 0 14 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.896 108.9 49.3 -68.3 -40.7 12.0 26.0 61.1 449 200 B H H X S+ 0 0 71 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.886 109.3 52.3 -67.2 -38.8 14.7 24.9 58.5 450 201 B T H X S+ 0 0 48 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.921 109.8 47.1 -62.0 -47.2 17.1 24.1 61.3 451 202 B I H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.883 111.7 52.9 -66.1 -36.8 14.6 21.8 63.2 452 203 B E H X S+ 0 0 58 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.947 110.5 45.4 -56.9 -55.8 13.7 20.1 59.9 453 204 B R H X S+ 0 0 9 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.892 111.4 53.8 -60.5 -40.2 17.3 19.3 59.0 454 205 B W H < S+ 0 0 29 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.892 109.8 47.7 -61.0 -40.9 17.9 18.1 62.6 455 206 B L H >< S+ 0 0 0 -4,-2.1 22,-1.9 2,-0.2 3,-0.8 0.839 110.8 50.9 -66.7 -38.3 14.9 15.7 62.3 456 207 B I H 3< S+ 0 0 6 -4,-2.3 -2,-0.2 20,-0.3 -1,-0.2 0.931 113.9 44.6 -65.7 -44.5 16.1 14.4 58.9 457 208 B G T 3< S+ 0 0 6 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.297 82.6 144.1 -84.2 12.2 19.6 13.7 60.3 458 209 B N < - 0 0 0 -3,-0.8 3,-0.2 1,-0.1 -86,-0.2 -0.162 40.6-154.2 -41.6 140.1 18.2 12.2 63.4 459 210 B Q S S+ 0 0 44 -87,-2.0 3,-0.2 1,-0.1 -1,-0.1 0.538 81.7 58.5-100.2 -7.5 20.5 9.3 64.5 460 211 B T S S+ 0 0 38 -88,-0.3 3,-0.2 17,-0.2 -1,-0.1 0.391 92.0 65.2-102.8 3.0 17.9 7.1 66.4 461 212 B G > + 0 0 0 -3,-0.2 3,-1.3 1,-0.1 6,-0.5 0.385 57.4 108.7-115.3 3.9 15.3 6.4 63.8 462 213 B D T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.770 89.1 39.3 -53.9 -32.1 16.9 4.3 61.1 463 214 B A T 3 S+ 0 0 51 -3,-0.2 58,-0.3 3,-0.1 -1,-0.3 0.529 112.8 57.6 -99.3 -7.1 15.0 1.1 62.1 464 215 B T S X> S- 0 0 0 -3,-1.3 3,-0.8 56,-0.1 4,-0.7 0.456 113.4 -15.6 -99.6-122.6 11.5 2.6 62.9 465 216 B L G >4 S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.847 132.5 49.6 -57.0 -47.3 9.1 4.7 60.8 466 217 B R G >4 S+ 0 0 35 -5,-0.5 3,-1.0 1,-0.3 -1,-0.3 0.782 98.7 67.2 -67.0 -27.7 11.5 5.7 58.0 467 218 B A G <4 S+ 0 0 55 -3,-0.8 -1,-0.3 -6,-0.5 -2,-0.2 0.808 104.7 48.7 -49.8 -28.8 12.5 2.1 57.6 468 219 B G G << S+ 0 0 6 -3,-1.5 -1,-0.2 -4,-0.7 60,-0.2 0.514 99.3 80.2 -94.3 -7.8 8.9 1.8 56.4 469 220 B F S < S- 0 0 16 -3,-1.0 56,-0.1 -4,-0.3 2,-0.1 -0.632 91.3 -89.8 -98.2 159.1 8.8 4.7 53.9 470 221 B P > - 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0 0 60 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.278 36.8 -98.5 -74.9 171.3 11.4 -7.5 72.2 513 264 B A H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.921 125.0 47.5 -64.5 -45.1 13.1 -4.2 71.3 514 265 B V H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.884 110.4 54.8 -60.3 -37.0 13.9 -5.2 67.7 515 266 B E H > S+ 0 0 88 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.869 106.6 50.1 -67.8 -36.3 10.3 -6.4 67.3 516 267 B R H X S+ 0 0 49 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.876 109.6 50.6 -69.0 -39.2 9.0 -3.0 68.4 517 268 B D H X S+ 0 0 32 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.920 112.1 48.4 -58.5 -45.2 11.3 -1.3 65.9 518 269 B E H X S+ 0 0 114 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.896 107.8 55.3 -63.8 -40.0 9.9 -3.7 63.3 519 270 B L H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.911 108.8 46.1 -56.2 -46.6 6.3 -2.9 64.4 520 271 B V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.898 111.4 53.1 -68.5 -37.0 6.8 0.8 63.9 521 272 B A H X S+ 0 0 15 -4,-2.1 4,-1.4 -58,-0.3 -1,-0.2 0.864 106.9 52.0 -62.2 -38.5 8.4 0.1 60.5 522 273 B S H X S+ 0 0 36 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.870 106.8 53.7 -64.6 -38.6 5.3 -2.0 59.5 523 274 B V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 3,-0.4 0.908 105.9 52.8 -57.9 -44.7 3.2 1.0 60.5 524 275 B G H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.828 107.0 53.0 -61.6 -32.4 5.3 3.1 58.1 525 276 B Q H X S+ 0 0 122 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.813 108.5 49.0 -70.0 -30.3 4.6 0.5 55.4 526 277 B V H X S+ 0 0 19 -4,-1.4 4,-2.0 -3,-0.4 -2,-0.2 0.877 110.6 50.2 -78.8 -38.3 0.8 0.8 56.0 527 278 B I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.971 109.0 53.7 -54.7 -56.5 1.0 4.6 55.8 528 279 B T H X S+ 0 0 21 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.923 107.3 49.4 -44.5 -58.5 2.9 4.3 52.5 529 280 B Q H < S+ 0 0 128 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.919 114.2 47.2 -51.6 -43.9 0.2 2.1 51.0 530 281 B L H < S+ 0 0 26 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.973 114.9 43.4 -61.3 -56.4 -2.5 4.6 52.1 531 282 B I H < 0 0 23 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.911 360.0 360.0 -58.6 -48.3 -0.6 7.7 50.9 532 283 B L < 0 0 113 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.657 360.0 360.0 -81.7 360.0 0.3 6.1 47.6