==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-NOV-12 4I6W . COMPND 2 MOLECULE: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS MEVALONII; . AUTHOR C.N.STEUSSY,C.V.STAUFFACHER,T.SCHMIDT,J.W.BURGNER II,V.W.ROD . 749 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 542 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 16.4 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 31 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 3 2 0 2 3 0 5 0 4 2 0 0 0 2 0 2 0 2 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 4 4 0 0 3 4 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 2 5 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 3 A L 0 0 108 0, 0.0 2,-0.5 0, 0.0 71,-0.5 0.000 360.0 360.0 360.0 139.0 62.2 114.4 126.1 2 4 A D - 0 0 76 21,-0.1 3,-0.3 1,-0.1 69,-0.0 -0.978 360.0-175.0-111.8 117.2 61.8 114.5 122.3 3 5 A S + 0 0 0 -2,-0.5 62,-3.0 63,-0.2 63,-0.3 0.362 54.7 100.9 -96.1 6.5 64.4 116.8 120.7 4 6 A R - 0 0 143 60,-0.2 -1,-0.2 61,-0.2 4,-0.2 0.877 51.9-175.5 -61.3 -46.5 63.2 116.6 117.1 5 7 A L > - 0 0 8 -3,-0.3 3,-1.8 1,-0.1 4,-0.3 0.916 16.9-148.4 48.9 62.2 61.3 120.0 116.9 6 8 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.304 78.7 9.6 -60.5 143.8 59.8 119.8 113.4 7 9 A A T >> S+ 0 0 56 1,-0.1 3,-1.5 3,-0.0 4,-0.7 0.467 88.5 130.8 65.5 6.0 59.4 123.2 111.7 8 10 A F G X4 + 0 0 3 -3,-1.8 3,-1.1 1,-0.3 8,-0.1 0.878 64.7 59.0 -53.2 -44.6 61.5 124.8 114.5 9 11 A R G 34 S+ 0 0 164 -4,-0.3 416,-0.3 1,-0.2 -1,-0.3 0.716 108.2 47.0 -61.5 -20.6 63.8 126.6 112.0 10 12 A N G <4 S+ 0 0 125 -3,-1.5 -1,-0.2 415,-0.1 -2,-0.2 0.513 90.5 95.5-103.1 -7.5 60.7 128.4 110.6 11 13 A L S << S- 0 0 63 -3,-1.1 414,-0.1 -4,-0.7 -4,-0.0 -0.405 83.8-101.3 -71.6 158.2 59.0 129.6 113.8 12 14 A S > - 0 0 63 1,-0.1 4,-3.0 -2,-0.1 5,-0.2 -0.366 35.6-104.2 -70.6 161.0 59.7 133.1 115.1 13 15 A P H > S+ 0 0 26 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.905 124.0 50.6 -52.9 -41.5 62.1 133.5 118.0 14 16 A A H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.906 112.4 45.2 -64.0 -43.2 59.2 134.0 120.3 15 17 A A H > S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 112.0 52.3 -68.9 -38.7 57.4 130.9 119.1 16 18 A R H X S+ 0 0 11 -4,-3.0 4,-2.6 410,-0.2 -2,-0.2 0.951 111.7 47.4 -58.1 -48.6 60.6 128.9 119.3 17 19 A L H X S+ 0 0 5 -4,-2.5 4,-3.0 -5,-0.2 -2,-0.2 0.917 110.2 50.8 -61.8 -45.1 61.1 130.0 122.9 18 20 A D H X S+ 0 0 98 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.894 111.1 50.1 -61.5 -37.6 57.6 129.2 123.9 19 21 A H H X S+ 0 0 79 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.938 111.3 47.2 -65.3 -48.3 57.9 125.7 122.4 20 22 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 6,-0.2 0.921 111.4 52.9 -55.5 -46.8 61.2 125.1 124.3 21 23 A G H X>S+ 0 0 2 -4,-3.0 5,-2.1 1,-0.2 4,-1.2 0.900 111.9 44.6 -58.2 -43.5 59.6 126.4 127.5 22 24 A Q H <5S+ 0 0 163 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.914 112.6 51.5 -67.7 -44.5 56.6 124.0 127.1 23 25 A L H <5S+ 0 0 62 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.871 120.7 33.2 -58.0 -41.3 58.9 121.0 126.2 24 26 A L H <5S- 0 0 51 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.546 106.3-120.2 -94.6 -11.7 61.1 121.5 129.2 25 27 A G T <5 - 0 0 65 -4,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.883 46.5-179.8 66.6 39.5 58.5 122.8 131.6 26 28 A L < - 0 0 28 -5,-2.1 -1,-0.2 -6,-0.2 2,-0.0 -0.440 27.7-112.0 -67.5 145.5 60.4 126.1 132.1 27 29 A S > - 0 0 61 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.324 24.5-110.2 -71.5 160.0 58.9 128.6 134.4 28 30 A H H > S+ 0 0 143 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.896 121.8 52.8 -54.0 -42.4 57.5 131.9 133.2 29 31 A D H > S+ 0 0 120 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.857 107.3 50.0 -66.5 -37.0 60.4 133.6 134.9 30 32 A D H >4 S+ 0 0 30 2,-0.2 3,-0.9 1,-0.2 4,-0.4 0.932 111.4 48.7 -64.3 -45.1 63.0 131.4 133.2 31 33 A V H >X S+ 0 0 22 -4,-2.5 4,-2.1 1,-0.2 3,-1.6 0.880 103.5 62.4 -61.6 -37.0 61.4 132.1 129.8 32 34 A S H 3X S+ 0 0 35 -4,-2.2 4,-1.2 1,-0.3 -1,-0.2 0.781 91.1 67.7 -58.0 -29.7 61.5 135.8 130.6 33 35 A L H << S+ 0 0 45 -3,-0.9 6,-0.3 -4,-0.8 -1,-0.3 0.716 113.4 28.7 -63.9 -25.4 65.3 135.6 130.7 34 36 A L H <4 S+ 0 0 10 -3,-1.6 395,-0.3 -4,-0.4 -2,-0.2 0.646 113.3 63.7-105.3 -24.3 65.4 135.0 127.0 35 37 A A H < S+ 0 0 61 -4,-2.1 2,-0.4 393,-0.1 -2,-0.2 0.662 107.5 44.7 -74.6 -16.2 62.2 136.9 126.0 36 38 A N S < S- 0 0 102 -4,-1.2 3,-0.3 -5,-0.2 393,-0.1 -0.979 87.1-114.4-130.4 141.7 63.7 140.2 127.2 37 39 A A S S+ 0 0 54 -2,-0.4 374,-0.1 1,-0.2 -3,-0.1 -0.273 88.0 50.6 -65.0 156.8 67.1 141.8 126.7 38 40 A G + 0 0 29 372,-0.1 -1,-0.2 -4,-0.1 4,-0.1 0.731 48.4 148.2 91.3 26.4 69.4 142.3 129.7 39 41 A A S S+ 0 0 15 -3,-0.3 -2,-0.1 -6,-0.3 -5,-0.1 0.703 70.9 64.5 -62.7 -22.0 69.6 139.0 131.5 40 42 A L S S- 0 0 2 293,-0.1 -1,-0.2 294,-0.1 293,-0.1 -0.853 90.0-147.3-101.2 95.2 73.1 139.9 132.5 41 43 A P >> - 0 0 52 0, 0.0 4,-2.4 0, 0.0 3,-0.9 -0.270 19.3-114.4 -68.7 152.5 72.6 142.9 134.7 42 44 A M H 3> S+ 0 0 73 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.787 113.8 58.3 -58.4 -32.0 75.3 145.6 134.7 43 45 A D H 3> S+ 0 0 123 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.876 111.3 43.5 -67.3 -33.0 76.3 145.1 138.3 44 46 A I H X> S+ 0 0 51 -3,-0.9 4,-0.9 2,-0.2 3,-0.6 0.941 115.6 47.3 -72.0 -49.0 77.1 141.4 137.4 45 47 A A H >X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 3,-0.9 0.909 109.6 54.2 -57.6 -42.8 78.9 142.4 134.2 46 48 A N H 3< S+ 0 0 55 -4,-2.9 -1,-0.2 1,-0.3 6,-0.2 0.757 110.9 46.4 -65.7 -25.4 80.9 145.1 135.9 47 49 A G H << S+ 0 0 67 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.544 104.0 63.2 -91.5 -10.0 82.1 142.6 138.5 48 50 A M H << S+ 0 0 14 -3,-0.9 2,-0.2 -4,-0.9 -2,-0.2 0.926 115.9 3.1 -81.3 -48.3 83.0 139.9 135.9 49 51 A I S < S- 0 0 3 -4,-1.4 3,-0.4 407,-0.1 2,-0.2 -0.787 82.2 -95.7-131.8 175.7 85.8 141.8 134.0 50 52 A E S S+ 0 0 24 -2,-0.2 386,-0.1 1,-0.2 333,-0.1 -0.562 93.0 19.5 -97.4 158.7 87.5 145.1 134.3 51 53 A N S S- 0 0 4 332,-0.3 385,-1.8 -2,-0.2 -1,-0.2 0.788 79.1-179.9 59.9 34.8 86.9 148.5 132.5 52 54 A V E +A 435 0A 0 -3,-0.4 383,-0.3 383,-0.2 338,-0.2 -0.428 22.3 169.0 -72.4 134.2 83.3 147.5 131.6 53 55 A I E - 0 0 4 381,-3.2 2,-0.3 1,-0.2 382,-0.2 0.397 65.7 -44.1-120.5 -1.7 81.2 150.1 129.6 54 56 A G E -A 434 0A 1 380,-1.3 380,-2.5 -12,-0.1 2,-0.3 -0.957 67.9 -74.1 170.2-158.7 78.3 147.9 128.6 55 57 A T E -A 433 0A 18 -2,-0.3 2,-0.4 378,-0.3 358,-0.1 -0.905 26.9-143.4-129.0 164.0 77.4 144.4 127.3 56 58 A F E -A 432 0A 2 376,-2.8 376,-2.2 -2,-0.3 2,-0.3 -0.994 17.0-145.6-133.3 123.2 77.6 142.8 123.9 57 59 A E E -A 431 0A 6 -2,-0.4 374,-0.2 374,-0.2 652,-0.1 -0.693 14.7-177.0 -92.8 139.6 75.0 140.3 122.6 58 60 A L E -A 430 0A 13 372,-2.3 372,-2.9 -2,-0.3 22,-0.1 -0.927 43.7 -89.2-117.9 156.7 75.4 137.3 120.4 59 61 A P E -A 429 0A 0 0, 0.0 20,-0.9 0, 0.0 2,-0.5 -0.337 33.6-144.6 -61.9 144.2 72.4 135.2 119.2 60 62 A Y E +AB 428 78A 0 368,-2.6 367,-3.2 18,-0.2 368,-1.2 -0.969 29.0 171.1-112.7 117.3 71.3 132.4 121.5 61 63 A A E -AB 426 77A 0 16,-3.0 16,-2.5 -2,-0.5 2,-0.4 -0.760 27.4-136.0-123.4 166.3 70.0 129.4 119.5 62 64 A V E - B 0 76A 0 363,-1.6 2,-0.3 -2,-0.3 27,-0.0 -0.991 13.8-144.7-127.8 123.1 69.0 125.8 120.1 63 65 A A E - B 0 75A 0 12,-2.7 12,-1.6 -2,-0.4 3,-0.2 -0.672 22.0-147.2 -80.6 141.1 70.1 122.9 117.9 64 66 A S + 0 0 9 -2,-0.3 -60,-0.2 21,-0.2 28,-0.2 -0.484 63.1 36.7-103.0 171.5 67.5 120.1 117.5 65 67 A N + 0 0 15 -62,-3.0 -61,-0.2 1,-0.2 -1,-0.1 0.183 69.1 147.5 79.7 -14.3 67.6 116.3 117.1 66 68 A F - 0 0 0 7,-0.3 7,-2.2 -63,-0.3 2,-0.4 -0.242 20.7-179.5 -61.6 141.5 70.6 115.5 119.3 67 69 A Q E -D 72 0B 30 5,-0.3 34,-2.8 25,-0.1 2,-0.5 -0.979 6.7-167.3-143.9 124.9 70.5 112.2 121.1 68 70 A I E > S-De 71 101B 16 3,-2.9 3,-2.2 -2,-0.4 34,-0.2 -0.978 74.3 -19.7-121.5 120.1 73.3 111.1 123.5 69 71 A N T 3 S- 0 0 80 32,-2.9 -1,-0.2 -2,-0.5 33,-0.1 0.871 130.9 -48.7 47.8 41.6 73.5 107.5 124.7 70 72 A G T 3 S+ 0 0 53 29,-0.4 2,-0.5 31,-0.4 -1,-0.3 0.336 117.5 109.1 87.4 -5.3 69.9 107.0 123.8 71 73 A R E < -D 68 0B 199 -3,-2.2 -3,-2.9 -69,-0.0 -1,-0.2 -0.910 67.8-125.6-109.6 127.1 68.6 110.2 125.5 72 74 A D E -D 67 0B 23 -71,-0.5 2,-0.4 -2,-0.5 -5,-0.3 -0.422 30.9-173.4 -67.1 139.3 67.4 113.2 123.6 73 75 A V - 0 0 15 -7,-2.2 2,-0.4 -2,-0.1 -7,-0.3 -0.999 21.2-139.0-136.4 138.7 69.1 116.5 124.5 74 76 A L - 0 0 0 268,-0.5 -10,-0.2 -2,-0.4 -70,-0.0 -0.849 23.4-150.5 -93.9 134.8 68.5 120.1 123.5 75 77 A V E -B 63 0A 0 -12,-1.6 -12,-2.7 -2,-0.4 2,-0.2 -0.892 2.4-151.2-117.9 109.1 71.7 122.0 122.8 76 78 A P E -B 62 0A 0 0, 0.0 2,-0.3 0, 0.0 -14,-0.2 -0.525 18.6-174.2 -75.6 144.3 72.1 125.8 123.3 77 79 A L E -B 61 0A 0 -16,-2.5 -16,-3.0 -2,-0.2 2,-0.5 -0.999 15.7-165.0-145.3 134.1 74.6 127.6 121.1 78 80 A V E +B 60 0A 1 195,-1.5 2,-0.3 -2,-0.3 198,-0.2 -0.980 36.7 120.8-125.4 115.8 75.9 131.2 121.1 79 81 A V - 0 0 0 -20,-0.9 -2,-0.1 -2,-0.5 576,-0.1 -0.970 55.8-130.5-166.5 167.0 77.8 132.3 117.9 80 82 A E S S+ 0 0 14 -2,-0.3 623,-0.2 -22,-0.1 575,-0.1 0.536 74.4 95.2-103.8 -12.6 77.8 134.8 115.1 81 83 A E > - 0 0 52 188,-0.1 3,-0.6 621,-0.1 4,-0.4 -0.699 67.6-129.5 -95.9 131.2 78.3 132.6 112.0 82 84 A P T 3 S+ 0 0 66 0, 0.0 2,-0.2 0, 0.0 341,-0.1 -0.218 83.8 32.4 -70.7 164.2 75.4 131.2 109.9 83 85 A S T 3> S+ 0 0 81 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.034 90.0 96.5 84.0 -27.1 75.0 127.5 108.9 84 86 A I H <> S+ 0 0 2 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.944 86.9 41.2 -58.1 -53.6 76.5 126.1 112.2 85 87 A V H > S+ 0 0 0 -4,-0.4 4,-2.4 1,-0.2 -21,-0.2 0.918 116.8 48.4 -66.8 -42.6 73.2 125.6 114.0 86 88 A A H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.910 113.1 48.0 -62.1 -42.6 71.4 124.2 110.9 87 89 A A H X S+ 0 0 26 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.905 111.1 51.3 -65.3 -42.5 74.3 121.8 110.2 88 90 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.936 113.8 44.4 -56.6 -49.2 74.4 120.6 113.8 89 91 A S H X S+ 0 0 9 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.879 114.5 47.7 -66.6 -42.1 70.6 119.9 113.8 90 92 A Y H X S+ 0 0 100 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.917 113.0 47.0 -70.4 -42.6 70.6 118.2 110.4 91 93 A M H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.880 110.4 53.8 -66.0 -35.8 73.6 115.9 111.1 92 94 A A H X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.895 105.7 54.9 -61.0 -39.7 72.0 115.1 114.5 93 95 A K H X S+ 0 0 126 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.924 109.4 45.6 -59.5 -46.6 68.9 114.1 112.6 94 96 A L H >< S+ 0 0 16 -4,-1.9 3,-0.8 1,-0.2 4,-0.4 0.920 110.5 54.3 -62.5 -42.4 70.8 111.7 110.4 95 97 A A H ><>S+ 0 0 1 -4,-2.4 5,-2.4 1,-0.2 3,-1.6 0.859 98.0 65.2 -59.7 -38.3 72.6 110.3 113.5 96 98 A R H ><5S+ 0 0 41 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.808 90.9 63.2 -51.7 -40.4 69.3 109.5 115.2 97 99 A A T <<5S+ 0 0 73 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.722 109.2 41.1 -61.2 -22.4 68.3 106.9 112.6 98 100 A N T < 5S- 0 0 31 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.018 137.3 -71.0-119.5 24.4 71.3 104.8 113.6 99 101 A G T < 5 - 0 0 45 -3,-1.5 -29,-0.4 126,-0.0 -3,-0.2 0.427 69.0-109.9 105.7 1.2 71.2 105.2 117.4 100 102 A G < - 0 0 5 -5,-2.4 2,-0.4 126,-0.2 126,-0.3 -0.351 66.6 -25.7 73.7-157.0 72.3 108.8 117.8 101 103 A F B -e 68 0B 0 -34,-2.8 -32,-2.9 124,-0.1 2,-0.5 -0.752 54.7-151.7 -93.9 138.5 75.7 109.7 119.3 102 104 A T E -F 224 0C 71 122,-1.8 122,-2.2 -2,-0.4 2,-0.3 -0.956 24.3-179.7-109.8 127.6 77.5 107.3 121.7 103 105 A T E +F 223 0C 12 -2,-0.5 2,-0.3 120,-0.2 120,-0.2 -0.895 17.5 168.2-130.8 155.4 79.8 109.0 124.2 104 106 A S E -F 222 0C 50 118,-1.7 118,-3.0 -2,-0.3 2,-0.3 -0.929 11.3-165.8-149.4 171.8 82.2 108.3 127.0 105 107 A S E -F 221 0C 28 -2,-0.3 116,-0.2 116,-0.2 2,-0.1 -0.992 20.5-113.4-157.3 158.6 84.8 110.3 129.0 106 108 A S - 0 0 32 114,-2.6 113,-0.1 -2,-0.3 112,-0.0 -0.286 54.9 -74.5 -77.3 174.5 87.6 109.9 131.4 107 109 A A - 0 0 46 1,-0.1 2,-2.4 111,-0.1 113,-0.2 -0.336 60.1 -94.3 -58.9 153.4 87.6 111.2 135.0 108 110 A P + 0 0 5 0, 0.0 71,-2.6 0, 0.0 2,-0.5 -0.428 64.6 167.2 -76.1 72.1 87.9 115.0 135.1 109 111 A L E -I 178 0D 37 -2,-2.4 109,-0.3 109,-0.7 2,-0.3 -0.777 12.1-176.9 -97.0 128.3 91.7 115.0 135.6 110 112 A M E -I 177 0D 0 67,-2.7 67,-2.8 -2,-0.5 2,-0.4 -0.880 21.4-125.2-120.7 151.0 93.7 118.2 135.2 111 113 A H E -I 176 0D 0 102,-0.5 102,-2.0 -2,-0.3 2,-0.5 -0.822 13.1-163.4 -93.7 134.5 97.5 118.9 135.4 112 114 A A E -IJ 175 212D 0 63,-2.1 63,-2.6 -2,-0.4 2,-0.3 -0.977 17.6-147.9-110.1 116.8 99.0 121.4 137.7 113 115 A Q E -IJ 174 211D 0 98,-3.1 98,-2.3 -2,-0.5 2,-0.5 -0.673 14.4-172.5 -85.8 135.4 102.5 122.3 136.6 114 116 A V E -IJ 173 210D 0 59,-2.5 59,-2.6 -2,-0.3 2,-0.4 -0.942 13.7-155.6-125.0 105.6 105.2 123.2 139.2 115 117 A Q E -I 172 0D 0 94,-2.8 93,-3.1 -2,-0.5 2,-0.4 -0.681 8.6-165.6 -85.6 130.9 108.4 124.4 137.4 116 118 A I E +IJ 171 207D 1 55,-3.5 55,-2.4 -2,-0.4 91,-0.2 -0.974 13.2 165.2-122.8 129.6 111.6 124.0 139.4 117 119 A V E + J 0 206D 10 89,-3.0 89,-3.1 -2,-0.4 53,-0.1 -0.670 42.8 63.7-125.7-179.2 114.9 125.7 138.6 118 120 A G S S+ 0 0 62 51,-0.4 2,-0.4 87,-0.2 -1,-0.1 0.641 73.0 111.0 78.5 15.4 118.3 126.5 140.2 119 121 A I - 0 0 12 50,-0.3 -1,-0.2 -3,-0.1 86,-0.1 -0.973 55.6-153.0-122.8 143.3 119.6 122.9 140.8 120 122 A Q S S+ 0 0 174 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.588 93.6 55.1 -83.6 -9.4 122.5 121.2 139.0 121 123 A D > + 0 0 69 82,-0.2 4,-2.8 1,-0.1 -1,-0.2 -0.428 56.4 149.2-122.8 58.2 120.9 117.8 139.6 122 124 A P H > S+ 0 0 7 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.843 74.9 53.9 -61.3 -33.7 117.3 117.8 138.1 123 125 A L H > S+ 0 0 103 2,-0.2 4,-1.1 1,-0.2 -2,-0.1 0.908 113.5 42.7 -69.4 -40.6 117.3 114.1 137.2 124 126 A N H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.919 110.9 55.8 -65.8 -45.0 118.2 113.2 140.8 125 127 A A H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.848 100.8 60.2 -58.0 -34.6 115.7 115.7 142.2 126 128 A R H X S+ 0 0 86 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.920 104.9 47.4 -59.3 -46.5 113.0 114.1 140.2 127 129 A L H X S+ 0 0 106 -4,-1.1 4,-2.4 -3,-0.4 -1,-0.2 0.852 107.5 57.0 -65.4 -32.5 113.6 110.8 142.0 128 130 A S H X S+ 0 0 41 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.914 109.2 46.4 -62.3 -40.7 113.5 112.6 145.3 129 131 A L H >< S+ 0 0 0 -4,-2.1 3,-0.5 2,-0.2 7,-0.2 0.935 112.0 49.3 -66.1 -47.1 110.1 114.0 144.5 130 132 A L H >< S+ 0 0 50 -4,-2.4 3,-1.5 1,-0.2 4,-0.2 0.874 106.6 56.7 -60.6 -37.5 108.8 110.6 143.4 131 133 A R H 3< S+ 0 0 220 -4,-2.4 3,-0.2 1,-0.3 -1,-0.2 0.836 115.7 37.4 -61.1 -32.7 110.1 109.0 146.6 132 134 A R T S+ 0 0 66 -3,-1.5 4,-2.9 1,-0.2 5,-0.2 0.869 70.7 55.8 -60.8 -39.9 105.0 111.5 146.3 134 136 A D H > S+ 0 0 110 -3,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.898 107.6 49.9 -57.4 -43.2 102.5 110.4 149.0 135 137 A E H > S+ 0 0 79 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.871 112.7 46.5 -63.3 -40.6 103.6 113.3 151.2 136 138 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 -7,-0.2 -2,-0.2 0.912 113.2 48.6 -67.6 -45.9 103.1 115.8 148.3 137 139 A I H X S+ 0 0 22 -4,-2.9 4,-2.2 1,-0.2 17,-0.2 0.901 111.1 50.7 -62.1 -43.0 99.7 114.3 147.4 138 140 A E H X S+ 0 0 132 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.900 110.1 49.9 -62.5 -40.9 98.6 114.5 151.0 139 141 A L H X S+ 0 0 40 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.937 109.8 51.0 -63.9 -45.7 99.7 118.1 151.3 140 142 A A H >< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 4,-0.3 0.905 112.8 46.7 -55.8 -42.8 97.8 119.0 148.1 141 143 A N H >< S+ 0 0 27 -4,-2.2 3,-1.1 1,-0.2 7,-0.2 0.789 101.0 63.3 -76.4 -27.4 94.6 117.3 149.4 142 144 A R H 3< S+ 0 0 164 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.796 98.2 61.5 -61.2 -27.1 94.8 119.0 152.8 143 145 A K T << S+ 0 0 103 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.657 113.9 30.3 -76.1 -19.1 94.3 122.2 150.9 144 146 A D <> + 0 0 44 -3,-1.1 4,-1.5 -4,-0.3 -1,-0.3 -0.570 62.2 158.2-143.3 75.6 90.9 121.2 149.5 145 147 A Q H > S+ 0 0 130 -3,-0.5 4,-2.2 1,-0.2 5,-0.2 0.853 76.9 57.7 -69.9 -33.9 89.0 118.9 151.9 146 148 A L H > S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.941 104.5 51.6 -59.1 -48.2 85.7 119.8 150.3 147 149 A L H 4>S+ 0 0 10 1,-0.2 5,-2.8 2,-0.2 4,-0.3 0.898 109.1 50.6 -56.5 -42.4 86.8 118.6 146.9 148 150 A N H ><5S+ 0 0 55 -4,-1.5 3,-1.3 -7,-0.2 -1,-0.2 0.905 109.2 50.7 -64.9 -39.3 88.0 115.3 148.4 149 151 A S H 3<5S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.820 105.8 56.9 -65.1 -29.8 84.6 114.8 150.1 150 152 A L T 3<5S- 0 0 112 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.500 129.4 -97.5 -78.6 -4.7 82.9 115.5 146.7 151 153 A G T < 5S+ 0 0 31 -3,-1.3 -3,-0.2 -4,-0.3 29,-0.1 0.501 93.0 98.1 99.2 8.8 84.9 112.6 145.2 152 154 A G < + 0 0 1 -5,-2.8 -1,-0.3 -6,-0.2 27,-0.2 -0.236 35.6 115.5-103.9-161.1 87.8 114.7 143.7 153 155 A G E -K 178 0D 0 25,-2.8 25,-2.9 -2,-0.1 2,-0.3 -0.527 69.4 -37.9 126.0 171.0 91.3 115.5 144.8 154 156 A C E +K 177 0D 4 23,-0.3 23,-0.3 -17,-0.2 3,-0.1 -0.531 51.1 175.5 -66.9 125.8 95.0 115.0 143.9 155 157 A R E - 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0 0 6 -2,-0.5 3,-2.0 -3,-0.2 461,-0.1 -0.851 63.9-108.2-116.0 161.6 117.5 124.2 128.0 166 168 A P T 3 S+ 0 0 135 0, 0.0 459,-0.0 0, 0.0 -2,-0.0 0.665 123.6 50.8 -61.5 -13.3 119.2 127.5 126.8 167 169 A R T 3 S- 0 0 84 1,-0.4 459,-0.0 455,-0.1 455,-0.0 0.158 123.0 -98.5-108.1 15.9 118.1 128.8 130.3 168 170 A G < - 0 0 27 -3,-2.0 -1,-0.4 -51,-0.1 -3,-0.1 -0.266 65.1 -22.7 95.1 178.4 119.7 125.9 132.2 169 171 A P - 0 0 33 0, 0.0 -51,-0.4 0, 0.0 2,-0.3 -0.330 60.3-173.1 -67.6 139.2 118.3 122.7 133.8 170 172 A M E - K 0 162D 1 -8,-2.1 -8,-2.9 -53,-0.1 2,-0.4 -0.972 14.6-163.0-132.3 149.5 114.6 122.5 134.6 171 173 A L E -IK 116 161D 0 -55,-2.4 -55,-3.5 -2,-0.3 2,-0.4 -0.976 8.4-164.2-125.7 141.3 112.3 120.1 136.4 172 174 A V E -IK 115 160D 0 -12,-3.2 -12,-2.9 -2,-0.4 2,-0.3 -0.947 1.6-162.1-131.9 113.5 108.5 120.2 136.1 173 175 A A E -IK 114 159D 0 -59,-2.6 -59,-2.5 -2,-0.4 2,-0.5 -0.726 7.0-153.8 -88.7 141.7 106.2 118.3 138.5 174 176 A H E -IK 113 158D 0 -16,-3.5 -16,-2.1 -2,-0.3 2,-0.5 -0.978 2.8-153.4-113.3 120.9 102.6 117.7 137.5 175 177 A L E -IK 112 157D 0 -63,-2.6 -63,-2.1 -2,-0.5 2,-0.7 -0.787 14.4-146.2 -79.9 132.4 99.9 117.3 140.1 176 178 A I E -IK 111 156D 9 -20,-2.9 -21,-3.3 -2,-0.5 -20,-1.2 -0.917 25.8-176.0-104.1 113.4 97.2 115.1 138.6 177 179 A V E -IK 110 154D 0 -67,-2.8 -67,-2.7 -2,-0.7 2,-0.7 -0.940 29.7-142.2-124.7 125.5 93.9 116.3 140.1 178 180 A D E -IK 109 153D 4 -25,-2.9 -25,-2.8 -2,-0.5 -69,-0.2 -0.756 21.2-177.4 -77.7 116.8 90.3 115.2 139.8 179 181 A V > - 0 0 3 -71,-2.6 3,-2.1 -2,-0.7 2,-0.1 0.264 14.8-157.8-105.4 10.0 88.4 118.4 139.8 180 182 A R T 3 S- 0 0 87 1,-0.3 -1,-0.3 -72,-0.2 169,-0.1 -0.269 72.6 -2.7 51.9-113.0 84.8 117.0 139.7 181 183 A D T 3 S+ 0 0 57 -2,-0.1 144,-3.2 167,-0.1 145,-1.2 0.334 113.7 91.3 -97.1 8.9 82.4 119.6 138.2 182 184 A A B < S-l 326 0E 13 -3,-2.1 141,-0.3 142,-0.3 145,-0.1 -0.630 80.2-125.3 -94.9 157.2 84.9 122.5 137.7 183 185 A M - 0 0 25 143,-0.6 -1,-0.1 -2,-0.2 -4,-0.1 0.922 52.9-133.7 -60.2 -44.7 87.0 123.3 134.7 184 186 A G > + 0 0 4 -5,-0.1 4,-2.9 138,-0.1 5,-0.3 0.272 68.3 118.1 119.5 -11.3 89.8 123.1 137.2 185 187 A A H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.948 86.0 36.1 -55.2 -60.9 92.1 126.2 136.9 186 188 A N H > S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 117.5 55.7 -61.9 -38.2 91.6 127.8 140.3 187 189 A T H > S+ 0 0 30 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.949 115.0 35.1 -57.4 -54.0 91.3 124.4 141.9 188 190 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.852 112.4 59.1 -76.2 -33.3 94.7 123.0 140.7 189 191 A N H X S+ 0 0 33 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.910 104.3 53.3 -58.8 -41.8 96.5 126.4 140.9 190 192 A T H X S+ 0 0 62 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.895 110.0 46.7 -59.5 -42.8 95.8 126.4 144.6 191 193 A M H X S+ 0 0 1 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.887 108.9 54.9 -67.2 -40.6 97.3 123.0 145.1 192 194 A A H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.911 109.4 47.7 -60.0 -42.5 100.3 123.9 143.0 193 195 A E H < S+ 0 0 38 -4,-2.3 557,-0.3 1,-0.2 3,-0.3 0.900 110.5 53.0 -62.1 -40.9 100.9 126.9 145.3 194 196 A A H < S+ 0 0 7 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.868 111.9 42.6 -65.0 -39.1 100.5 124.7 148.4 195 197 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-0.3 0.643 91.4 89.1 -84.1 -15.0 103.0 122.0 147.4 196 198 A A H X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.3 5,-0.2 0.894 85.9 48.1 -53.7 -50.8 105.7 124.5 146.2 197 199 A P H > S+ 0 0 48 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.894 113.2 49.5 -59.9 -36.8 107.5 125.0 149.5 198 200 A L H > S+ 0 0 26 -4,-0.4 4,-2.3 -3,-0.3 -2,-0.2 0.909 109.1 51.6 -66.3 -41.9 107.7 121.3 150.1 199 201 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 6,-0.4 0.868 109.2 51.1 -63.9 -34.9 109.0 120.7 146.6 200 202 A E H X S+ 0 0 43 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.916 110.3 49.0 -64.0 -43.6 111.7 123.3 147.3 201 203 A A H < S+ 0 0 77 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.868 114.8 45.3 -63.6 -38.3 112.6 121.5 150.5 202 204 A I H < S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.900 124.8 29.5 -72.6 -42.4 112.8 118.2 148.7 203 205 A T H < S- 0 0 12 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.709 92.1-130.6 -94.1 -24.0 114.8 119.3 145.7 204 206 A G S < S+ 0 0 58 -4,-2.5 -3,-0.1 1,-0.3 -4,-0.1 0.530 71.4 118.5 77.1 8.7 116.9 122.2 147.0 205 207 A G - 0 0 1 -6,-0.4 2,-0.5 -5,-0.3 -1,-0.3 -0.308 69.8-101.3-101.0-178.0 115.6 124.1 144.0 206 208 A Q E -J 117 0D 109 -89,-3.1 -89,-3.0 -2,-0.1 2,-0.3 -0.922 27.9-137.2-109.4 121.5 113.6 127.3 143.3 207 209 A V E +J 116 0D 7 -2,-0.5 -91,-0.2 -91,-0.2 3,-0.1 -0.619 30.5 165.6 -75.6 132.5 110.0 127.0 142.3 208 210 A R E + 0 0 72 -93,-3.1 -1,-0.1 1,-0.4 2,-0.1 0.489 54.1 30.5-108.1-100.3 109.0 129.3 139.5 209 211 A L E - 0 0 2 -95,-0.1 -94,-2.8 1,-0.0 2,-0.4 -0.384 52.5-177.4 -68.9 134.4 105.7 128.8 137.6 210 212 A R E +J 114 0D 10 -96,-0.2 2,-0.3 -2,-0.1 -96,-0.2 -0.949 36.4 126.8-127.0 106.5 102.8 127.2 139.5 211 213 A I E -J 113 0D 18 -98,-2.3 -98,-3.1 -2,-0.4 425,-0.1 -0.988 58.1-101.5-165.9 142.4 100.0 126.9 136.9 212 214 A L E -J 112 0D 12 -2,-0.3 2,-0.5 -100,-0.3 -100,-0.2 -0.206 35.8-122.7 -58.8 159.4 97.5 124.5 135.3 213 215 A S - 0 0 0 -102,-2.0 -102,-0.5 1,-0.1 420,-0.1 -0.947 8.1-155.6-101.8 131.4 98.2 123.0 131.9 214 216 A N S S+ 0 0 5 -2,-0.5 2,-1.9 418,-0.5 77,-0.1 0.553 79.7 91.2 -76.0 -8.6 95.6 123.7 129.2 215 217 A L - 0 0 10 417,-0.5 2,-2.1 1,-0.1 -1,-0.2 -0.587 62.7-179.8 -84.0 78.5 96.8 120.6 127.4 216 218 A A > + 0 0 0 -2,-1.9 3,-1.8 1,-0.2 105,-0.4 -0.346 19.6 151.4 -85.8 60.1 94.2 118.6 129.3 217 219 A D T 3 + 0 0 32 -2,-2.1 -1,-0.2 1,-0.3 3,-0.2 0.447 68.3 58.1 -78.8 0.7 95.1 115.2 127.8 218 220 A L T 3 S+ 0 0 60 -109,-0.3 -109,-0.7 1,-0.2 2,-0.3 0.297 97.2 66.1-103.4 4.0 93.9 113.3 130.9 219 221 A R S < S+ 0 0 0 -3,-1.8 102,-2.5 -111,-0.2 2,-0.3 -0.597 75.2 165.0-121.9 68.4 90.5 114.8 130.6 220 222 A L E - G 0 320C 22 -2,-0.3 -114,-2.6 100,-0.2 2,-0.4 -0.611 22.8-163.6 -93.4 144.0 89.3 113.3 127.4 221 223 A A E -FG 105 319C 0 98,-2.4 98,-1.9 -2,-0.3 2,-0.4 -0.964 11.8-157.5-122.5 146.8 85.7 113.1 126.0 222 224 A R E -FG 104 318C 77 -118,-3.0 -118,-1.7 -2,-0.4 2,-0.3 -0.963 11.0-178.0-131.1 138.0 84.7 110.7 123.2 223 225 A A E -FG 103 317C 2 94,-2.1 94,-1.9 -2,-0.4 2,-0.3 -0.995 4.6-167.3-136.8 143.4 81.9 110.6 120.7 224 226 A Q E -FG 102 316C 115 -122,-2.2 -122,-1.8 -2,-0.3 2,-0.3 -0.961 6.2-179.5-124.9 147.5 80.9 108.1 118.0 225 227 A V E - G 0 315C 5 90,-1.9 90,-2.3 -2,-0.3 2,-0.4 -0.981 9.8-158.2-141.7 151.6 78.5 108.5 115.0 226 228 A R E - G 0 314C 86 -2,-0.3 2,-0.4 -126,-0.3 -128,-0.2 -0.999 8.8-178.2-134.9 135.5 77.3 106.1 112.3 227 229 A I E - G 0 313C 0 86,-2.6 86,-2.6 -2,-0.4 -132,-0.1 -0.994 17.5-138.9-134.2 136.0 75.7 107.1 108.9 228 230 A T >> - 0 0 15 -2,-0.4 3,-0.8 84,-0.2 4,-0.7 -0.617 24.2-115.9 -94.7 155.9 74.5 104.8 106.2 229 231 A P H >> S+ 0 0 15 0, 0.0 3,-1.0 0, 0.0 4,-0.7 0.868 113.5 63.6 -57.3 -36.2 74.9 105.2 102.4 230 232 A Q H >4 S+ 0 0 168 1,-0.2 3,-0.7 2,-0.2 9,-0.1 0.868 100.7 52.1 -53.1 -40.4 71.1 105.6 102.0 231 233 A Q H <4 S+ 0 0 41 -3,-0.8 -1,-0.2 1,-0.2 -137,-0.0 0.718 109.5 48.4 -70.3 -23.9 71.2 108.8 104.1 232 234 A L H << S+ 0 0 3 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.430 79.2 122.6-101.5 -3.2 73.9 110.5 102.1 233 235 A E << - 0 0 135 -4,-0.7 2,-0.2 -3,-0.7 5,-0.2 -0.372 38.6-176.0 -61.7 135.1 72.5 109.9 98.6 234 236 A T - 0 0 39 3,-3.2 5,-0.1 -2,-0.1 -2,-0.0 -0.661 43.6 -97.2-118.3 179.2 72.0 113.1 96.6 235 237 A A S S+ 0 0 112 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.881 126.7 33.6 -61.3 -39.5 70.5 113.8 93.1 236 238 A E S S+ 0 0 147 136,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.870 121.5 42.5 -83.8 -41.9 74.1 113.8 91.7 237 239 A F S S- 0 0 79 -5,-0.1 -3,-3.2 135,-0.1 2,-0.1 -0.869 71.7-125.8-120.7 141.8 75.8 111.2 93.9 238 240 A S > - 0 0 54 -2,-0.4 4,-1.9 -5,-0.2 3,-0.3 -0.468 34.4-114.2 -71.2 153.0 75.1 107.8 95.3 239 241 A G H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.840 117.0 54.9 -59.1 -36.9 75.5 107.4 99.1 240 242 A E H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.879 107.6 50.1 -63.6 -38.8 78.4 105.0 98.6 241 243 A A H > S+ 0 0 46 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.872 108.9 51.6 -67.5 -38.8 80.2 107.6 96.5 242 244 A V H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.905 108.6 51.5 -63.9 -43.7 79.6 110.3 99.1 243 245 A I H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.930 110.8 47.7 -59.0 -47.5 81.1 108.0 101.8 244 246 A E H X S+ 0 0 56 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.889 110.9 52.7 -59.0 -40.3 84.2 107.5 99.6 245 247 A G H X S+ 0 0 6 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.886 109.0 49.2 -60.9 -41.8 84.4 111.3 99.1 246 248 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.901 109.6 50.8 -65.2 -43.3 84.3 111.8 102.8 247 249 A L H X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.866 110.2 51.0 -62.1 -36.9 87.1 109.3 103.4 248 250 A D H X S+ 0 0 14 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.896 109.5 50.2 -65.0 -42.1 89.1 111.1 100.8 249 251 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.880 110.8 49.9 -63.0 -40.8 88.5 114.4 102.6 250 252 A Y H X S+ 0 0 55 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.920 108.2 51.3 -63.7 -46.1 89.6 112.9 105.9 251 253 A A H X S+ 0 0 8 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.896 108.3 54.2 -58.1 -40.4 92.8 111.5 104.4 252 254 A F H >X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 3,-0.5 0.936 109.8 46.0 -58.0 -50.4 93.5 115.0 103.0 253 255 A A H 3< S+ 0 0 0 -4,-2.1 7,-0.3 1,-0.2 -2,-0.2 0.865 108.9 57.2 -60.3 -35.9 93.1 116.5 106.5 254 256 A A H 3< S+ 0 0 38 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.770 117.3 31.3 -69.8 -25.6 95.3 113.7 108.0 255 257 A V H << S+ 0 0 43 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.739 114.2 58.0-101.7 -28.7 98.3 114.5 105.7 256 258 A D >X - 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0 0 17 -5,-0.7 -1,-0.2 1,-0.1 3,-0.1 -0.405 24.6-175.1 -68.9 138.9 73.6 117.9 132.6 346 348 A K + 0 0 174 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.534 69.0 35.4-111.8 -13.0 74.4 116.7 136.1 347 349 A T S > S- 0 0 66 1,-0.1 4,-1.4 -23,-0.0 -1,-0.1 -0.950 78.1-120.5-135.7 158.2 78.2 116.5 135.9 348 350 A A H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.865 114.7 56.9 -64.7 -35.9 80.8 118.4 134.0 349 351 A Q H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.856 101.7 56.5 -66.6 -31.2 81.9 115.3 132.1 350 352 A A H > S+ 0 0 31 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 108.6 47.0 -61.7 -41.5 78.3 114.9 130.9 351 353 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.915 109.8 54.1 -64.1 -42.2 78.6 118.4 129.4 352 354 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.874 106.3 52.1 -57.4 -40.9 82.0 117.4 127.9 353 355 A E H X S+ 0 0 32 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.880 109.0 49.3 -67.1 -38.7 80.4 114.4 126.2 354 356 A I H X S+ 0 0 7 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.916 107.8 56.6 -63.6 -41.7 77.7 116.6 124.7 355 357 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.920 108.4 44.8 -55.8 -48.7 80.4 119.0 123.5 356 358 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.859 110.4 55.3 -68.4 -32.8 82.3 116.3 121.5 357 359 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.941 110.8 44.9 -60.9 -45.6 79.0 115.0 120.1 358 360 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.867 112.3 52.1 -67.0 -36.9 78.3 118.4 118.7 359 361 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.921 111.0 47.2 -62.9 -43.8 81.9 118.8 117.4 360 362 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.911 111.3 51.5 -64.5 -44.0 81.6 115.5 115.6 361 363 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.897 109.7 49.9 -58.5 -43.1 78.2 116.5 114.1 362 364 A Q H X S+ 0 0 14 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.926 110.4 48.7 -65.8 -45.1 79.6 119.8 112.8 363 365 A N H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.911 110.3 52.1 -60.1 -42.7 82.6 118.1 111.2 364 366 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.913 110.6 48.7 -58.0 -44.1 80.3 115.6 109.5 365 367 A G H X S+ 0 0 7 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.904 110.0 51.3 -63.3 -42.9 78.1 118.4 108.2 366 368 A A H X S+ 0 0 32 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.926 115.1 41.4 -59.1 -47.6 81.2 120.3 106.8 367 369 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.838 109.8 56.0 -76.4 -33.6 82.5 117.3 105.0 368 370 A R H X S+ 0 0 56 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.906 111.6 46.8 -59.1 -40.9 79.1 116.1 103.7 369 371 A A H X S+ 0 0 43 -4,-1.9 4,-0.8 -5,-0.2 3,-0.5 0.926 115.0 44.8 -65.8 -46.1 78.8 119.6 102.2 370 372 A L H < S+ 0 0 28 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.815 114.1 49.5 -69.2 -32.0 82.3 119.6 100.7 371 373 A A H < S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.612 114.9 43.5 -82.6 -13.5 81.9 116.0 99.4 372 374 A T H < 0 0 15 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.471 360.0 360.0-109.8 -4.7 78.6 116.6 97.7 373 375 A E < 0 0 126 -4,-0.8 -2,-0.1 -3,-0.2 -3,-0.1 0.889 360.0 360.0 -77.3 360.0 79.2 120.0 96.0 374 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 375 503 B L 0 0 107 0, 0.0 2,-0.6 0, 0.0 71,-0.5 0.000 360.0 360.0 360.0 141.4 93.9 160.8 121.0 376 504 B D - 0 0 61 1,-0.1 3,-0.4 69,-0.1 21,-0.0 -0.957 360.0-179.3-114.9 109.5 95.1 160.1 124.5 377 505 B S + 0 0 0 -2,-0.6 62,-3.3 1,-0.2 63,-0.3 0.338 54.6 101.7 -92.3 8.1 94.3 156.5 125.5 378 506 B R - 0 0 136 60,-0.2 4,-0.2 61,-0.2 -1,-0.2 0.828 57.5-170.1 -64.8 -33.5 95.7 156.7 129.1 379 507 B L > - 0 0 10 -3,-0.4 3,-2.0 1,-0.1 4,-0.3 0.904 18.8-138.9 44.2 64.7 92.3 157.0 130.7 380 508 B P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.263 79.3 1.0 -56.8 134.4 93.3 157.9 134.2 381 509 B A T >> S+ 0 0 68 1,-0.1 3,-1.3 3,-0.0 4,-0.7 0.527 86.7 139.8 67.3 12.2 91.3 156.1 137.0 382 510 B F G X4 + 0 0 4 -3,-2.0 3,-1.4 1,-0.3 8,-0.1 0.882 63.6 59.2 -52.0 -48.0 89.2 154.3 134.3 383 511 B R G 34 S+ 0 0 136 1,-0.3 -332,-0.3 -4,-0.3 -1,-0.3 0.784 109.5 44.0 -53.1 -32.8 89.2 151.0 136.3 384 512 B N G <4 S+ 0 0 141 -3,-1.3 -1,-0.3 -333,-0.1 -2,-0.2 0.493 93.0 96.3 -99.1 -3.5 87.5 152.6 139.3 385 513 B L S << S- 0 0 43 -3,-1.4 -334,-0.1 -4,-0.7 -4,-0.0 -0.421 82.9 -96.8 -79.4 159.7 84.9 154.7 137.5 386 514 B S > - 0 0 62 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.338 35.2-109.7 -65.6 155.8 81.3 153.6 137.0 387 515 B P H > S+ 0 0 24 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.896 122.0 52.0 -54.2 -38.9 80.4 151.9 133.7 388 516 B A H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.928 111.6 44.7 -63.1 -45.4 78.3 155.1 132.9 389 517 B A H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.861 111.8 53.7 -67.4 -36.7 81.3 157.4 133.6 390 518 B R H X S+ 0 0 11 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.937 109.5 47.8 -59.0 -48.4 83.6 155.1 131.7 391 519 B L H X S+ 0 0 11 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.863 110.9 51.9 -63.7 -38.1 81.3 155.3 128.6 392 520 B D H X S+ 0 0 89 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.909 108.5 49.9 -62.8 -44.6 81.1 159.1 129.0 393 521 B H H X S+ 0 0 71 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.880 112.7 47.6 -63.0 -41.0 84.9 159.5 129.1 394 522 B I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.915 110.2 52.7 -62.8 -46.9 85.2 157.3 126.0 395 523 B G H X>S+ 0 0 9 -4,-2.4 5,-2.0 1,-0.2 4,-1.4 0.884 110.5 47.6 -57.1 -43.0 82.5 159.4 124.2 396 524 B Q H <5S+ 0 0 137 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.914 111.9 49.0 -64.2 -47.5 84.3 162.6 124.9 397 525 B L H <5S+ 0 0 71 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.886 122.5 32.7 -60.4 -42.9 87.7 161.4 123.8 398 526 B L H <5S- 0 0 28 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.583 103.2-124.2 -92.0 -13.8 86.3 160.0 120.5 399 527 B G T <5 - 0 0 52 -4,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.921 40.8-169.7 64.0 44.9 83.6 162.6 119.9 400 528 B L < - 0 0 21 -5,-2.0 -1,-0.2 -6,-0.2 -5,-0.0 -0.409 19.4-114.9 -66.9 141.8 81.0 159.8 119.7 401 529 B S > - 0 0 57 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.200 25.3-107.9 -67.7 165.7 77.5 160.8 118.6 402 530 B H H > S+ 0 0 154 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.899 121.6 53.1 -60.8 -42.7 74.4 160.5 120.8 403 531 B D H > S+ 0 0 118 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.904 108.3 50.8 -59.0 -44.2 73.2 157.5 118.8 404 532 B D H >> S+ 0 0 39 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.910 111.1 46.8 -61.5 -45.7 76.6 155.8 119.3 405 533 B V H >X S+ 0 0 43 -4,-2.0 3,-1.2 1,-0.2 4,-1.2 0.890 107.3 57.4 -64.5 -39.6 76.6 156.3 123.1 406 534 B S H 3X S+ 0 0 43 -4,-2.3 4,-1.0 1,-0.3 -1,-0.2 0.713 92.7 71.1 -66.5 -19.5 73.0 155.1 123.4 407 535 B L H << S+ 0 0 43 -4,-0.9 -1,-0.3 -3,-0.6 6,-0.2 0.829 110.1 30.8 -61.8 -34.0 74.0 151.8 121.7 408 536 B L H << S+ 0 0 13 -3,-1.2 -353,-0.3 -4,-0.5 -2,-0.2 0.635 110.1 66.4-100.1 -18.8 75.8 150.8 124.9 409 537 B A H < S+ 0 0 61 -4,-1.2 2,-0.4 -355,-0.1 -2,-0.2 0.697 102.1 46.9 -81.3 -21.6 73.7 152.6 127.5 410 538 B N S < S- 0 0 114 -4,-1.0 3,-0.2 0, 0.0 -1,-0.1 -0.979 89.2-114.4-121.8 136.9 70.6 150.5 127.0 411 539 B A S S+ 0 0 60 -2,-0.4 -374,-0.1 1,-0.2 -2,-0.1 -0.260 90.8 49.9 -63.2 150.6 70.5 146.7 126.8 412 540 B G + 0 0 31 -376,-0.1 -1,-0.2 -4,-0.1 4,-0.1 0.800 51.8 154.1 91.2 33.6 69.5 145.0 123.5 413 541 B A + 0 0 15 -6,-0.2 -2,-0.1 -3,-0.2 -5,-0.1 0.714 63.6 72.7 -63.8 -22.6 71.7 146.8 121.0 414 542 B L S S- 0 0 3 293,-0.1 -1,-0.1 294,-0.1 293,-0.1 -0.845 88.9-137.2 -95.7 102.1 71.4 143.7 118.7 415 543 B P >> - 0 0 61 0, 0.0 4,-2.6 0, 0.0 3,-0.7 -0.300 13.3-124.0 -61.7 142.0 67.8 143.8 117.4 416 544 B M H 3> S+ 0 0 70 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.792 111.2 59.5 -60.0 -30.9 66.1 140.5 117.3 417 545 B D H 3> S+ 0 0 143 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.896 110.3 42.4 -61.1 -40.4 65.4 140.8 113.6 418 546 B I H <> S+ 0 0 64 -3,-0.7 4,-0.9 2,-0.2 3,-0.4 0.940 115.3 48.8 -71.1 -47.3 69.2 141.0 113.0 419 547 B A H >X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 3,-0.9 0.921 109.6 52.9 -58.0 -44.4 70.0 138.3 115.5 420 548 B N H 3< S+ 0 0 53 -4,-3.0 -1,-0.2 1,-0.3 6,-0.2 0.784 111.5 46.7 -62.8 -28.9 67.3 136.0 113.9 421 549 B G H 3< S+ 0 0 68 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.588 104.0 64.5 -86.3 -11.4 69.0 136.6 110.5 422 550 B M H << S+ 0 0 14 -4,-0.9 2,-0.2 -3,-0.9 -2,-0.2 0.924 115.3 0.5 -81.4 -48.7 72.5 136.0 111.8 423 551 B I S < S- 0 0 4 -4,-1.3 3,-0.4 -341,-0.1 2,-0.2 -0.816 82.4 -94.2-133.7 174.1 72.2 132.3 112.8 424 552 B E S S+ 0 0 46 -2,-0.2 -362,-0.1 1,-0.2 -415,-0.1 -0.527 94.8 19.6 -93.7 157.7 69.5 129.5 112.7 425 553 B N S S- 0 0 7 -416,-0.3 -363,-1.6 1,-0.2 -1,-0.2 0.796 78.9-178.8 60.3 34.9 67.0 128.5 115.4 426 554 B V E +A 61 0A 0 -3,-0.4 -365,-0.3 -6,-0.2 -410,-0.2 -0.438 20.6 167.8 -70.7 132.4 67.4 131.7 117.4 427 555 B I E - 0 0 4 -367,-3.2 2,-0.3 1,-0.2 -366,-0.2 0.401 65.1 -42.4-121.9 -1.2 65.4 132.0 120.6 428 556 B G E -A 60 0A 1 -368,-1.2 -368,-2.6 -12,-0.1 2,-0.3 -0.960 68.5 -76.1 170.5-159.1 67.0 135.1 122.2 429 557 B T E -A 59 0A 14 -2,-0.3 2,-0.4 -370,-0.3 -393,-0.1 -0.884 24.9-142.2-129.0 166.2 70.4 136.7 122.8 430 558 B F E -A 58 0A 3 -372,-2.9 -372,-2.3 -2,-0.3 2,-0.3 -0.995 17.9-146.5-132.3 123.9 73.3 136.1 125.1 431 559 B E E -A 57 0A 5 -2,-0.4 -374,-0.2 -374,-0.2 -96,-0.1 -0.696 14.5-177.6 -95.1 141.5 75.4 139.0 126.7 432 560 B L E -A 56 0A 14 -376,-2.2 -376,-2.8 -2,-0.3 22,-0.1 -0.951 43.8 -88.5-121.0 154.6 79.0 139.2 127.6 433 561 B P E -A 55 0A 0 0, 0.0 20,-0.8 0, 0.0 2,-0.5 -0.268 35.6-146.4 -58.0 145.7 80.6 142.2 129.2 434 562 B Y E +AC 54 452A 0 -380,-2.5 -381,-3.2 18,-0.2 -380,-1.3 -0.978 28.5 168.3-118.2 117.6 81.9 144.8 126.8 435 563 B A E -AC 52 451A 0 16,-2.9 16,-2.5 -2,-0.5 2,-0.4 -0.748 30.1-132.3-126.2 168.6 85.1 146.6 128.1 436 564 B V E - C 0 450A 0 -385,-1.8 2,-0.3 -2,-0.2 27,-0.0 -0.989 15.1-144.1-127.3 122.3 87.8 148.9 126.9 437 565 B A E - C 0 449A 0 12,-2.7 12,-1.6 -2,-0.4 3,-0.2 -0.667 24.3-145.7 -77.4 139.4 91.5 148.3 127.5 438 566 B S + 0 0 9 -2,-0.3 -60,-0.2 21,-0.2 28,-0.2 -0.502 63.2 35.1-100.9 168.9 93.4 151.6 128.1 439 567 B N + 0 0 12 -62,-3.3 -61,-0.2 1,-0.2 -1,-0.1 0.240 69.0 149.4 80.5 -9.0 97.0 152.8 127.3 440 568 B F - 0 0 0 7,-0.4 7,-2.3 -63,-0.3 2,-0.4 -0.293 20.1-178.5 -65.9 141.0 97.5 151.1 124.0 441 569 B Q E -M 446 0F 29 5,-0.3 34,-2.7 25,-0.1 2,-0.5 -0.989 7.2-166.1-141.2 128.5 99.8 152.8 121.5 442 570 B I E > S-Mn 445 475F 17 3,-3.0 3,-2.0 -2,-0.4 34,-0.2 -0.981 74.7 -21.8-124.6 116.9 100.5 151.4 118.0 443 571 B N T 3 S- 0 0 84 32,-2.8 -1,-0.1 -2,-0.5 33,-0.1 0.870 130.8 -46.9 47.3 43.4 103.3 152.9 115.9 444 572 B G T 3 S+ 0 0 52 29,-0.4 2,-0.5 31,-0.4 -1,-0.3 0.377 118.0 109.8 86.9 -2.6 103.2 156.1 118.0 445 573 B R E < -M 442 0F 197 -3,-2.0 -3,-3.0 -69,-0.0 -1,-0.2 -0.917 66.7-126.8-111.7 127.4 99.4 156.5 117.8 446 574 B D E -M 441 0F 25 -2,-0.5 2,-0.3 -71,-0.5 -5,-0.3 -0.446 31.1-176.4 -69.1 139.6 97.1 156.0 120.8 447 575 B V - 0 0 17 -7,-2.3 2,-0.4 -2,-0.1 -7,-0.4 -0.992 22.7-136.4-136.9 146.3 94.2 153.5 120.3 448 576 B L - 0 0 0 268,-0.6 -10,-0.1 -2,-0.3 -71,-0.0 -0.871 22.4-150.2-100.6 136.0 91.3 152.4 122.5 449 577 B V E -C 437 0A 0 -12,-1.6 -12,-2.7 -2,-0.4 2,-0.2 -0.888 1.8-152.7-117.6 107.6 90.6 148.6 122.4 450 578 B P E -C 436 0A 0 0, 0.0 2,-0.3 0, 0.0 -14,-0.2 -0.527 18.6-174.9 -76.0 144.1 87.2 147.1 122.9 451 579 B L E -C 435 0A 0 -16,-2.5 -16,-2.9 -2,-0.2 2,-0.5 -1.000 17.4-162.9-144.5 136.0 87.0 143.6 124.3 452 580 B V E +C 434 0A 1 195,-1.5 2,-0.3 -2,-0.3 198,-0.2 -0.976 37.1 123.4-124.6 116.1 84.2 141.1 125.0 453 581 B V - 0 0 0 -20,-0.8 -2,-0.1 -2,-0.5 -405,-0.0 -0.971 53.8-134.6-165.2 164.5 85.0 138.2 127.4 454 582 B E S S+ 0 0 15 -2,-0.3 -173,-0.1 -22,-0.1 -1,-0.0 0.578 73.4 95.2-103.5 -14.4 83.8 136.5 130.6 455 583 B E > - 0 0 53 188,-0.1 3,-0.6 1,-0.1 4,-0.4 -0.649 68.4-126.7 -94.1 132.3 87.2 136.0 132.4 456 584 B P T 3 S+ 0 0 71 0, 0.0 2,-0.2 0, 0.0 -407,-0.1 -0.197 83.8 29.2 -68.4 163.7 88.6 138.4 135.0 457 585 B S T 3> S+ 0 0 78 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.001 90.5 97.5 80.5 -25.1 92.1 140.0 134.9 458 586 B I H <> S+ 0 0 2 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.947 86.9 40.7 -57.9 -53.8 92.4 140.0 131.1 459 587 B V H > S+ 0 0 0 -4,-0.4 4,-2.4 1,-0.2 -21,-0.2 0.926 117.6 48.5 -67.3 -43.4 91.4 143.6 130.6 460 588 B A H > S+ 0 0 21 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.908 112.7 48.0 -58.8 -46.0 93.4 144.9 133.6 461 589 B A H X S+ 0 0 22 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.912 111.8 49.7 -63.9 -43.5 96.5 143.0 132.5 462 590 B A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.936 113.9 46.0 -57.7 -48.7 96.3 144.3 129.0 463 591 B S H X S+ 0 0 8 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.899 113.9 46.9 -63.3 -46.7 95.8 147.9 130.2 464 592 B Y H X S+ 0 0 112 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.915 113.4 47.6 -66.6 -43.5 98.7 147.7 132.7 465 593 B M H X S+ 0 0 3 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.903 110.7 52.5 -64.9 -38.1 101.1 146.1 130.3 466 594 B A H X S+ 0 0 1 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.890 106.4 55.0 -60.8 -38.8 100.2 148.7 127.7 467 595 B K H X S+ 0 0 126 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.933 109.9 44.9 -59.1 -47.3 100.9 151.4 130.3 468 596 B L H >< S+ 0 0 17 -4,-2.0 3,-1.0 1,-0.2 4,-0.4 0.911 109.6 56.6 -63.2 -41.3 104.4 150.1 130.8 469 597 B A H ><>S+ 0 0 1 -4,-2.5 5,-2.2 1,-0.2 3,-1.7 0.846 95.3 66.7 -58.9 -37.6 104.9 149.7 127.0 470 598 B R H ><5S+ 0 0 49 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.793 90.0 63.3 -52.5 -37.7 104.1 153.5 126.5 471 599 B A T <<5S+ 0 0 73 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.727 108.3 42.2 -63.9 -22.4 107.3 154.5 128.4 472 600 B N T < 5S- 0 0 32 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 -0.033 137.3 -73.0-117.8 27.1 109.4 152.8 125.7 473 601 B G T < 5 - 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0 0 2 -210,-0.1 -94,-2.8 -95,-0.0 2,-0.4 -0.406 52.2-179.4 -72.0 134.3 87.5 119.9 98.1 584 712 B R E +S 488 0H 36 -96,-0.2 2,-0.3 -2,-0.1 -96,-0.2 -0.938 35.6 127.8-129.4 106.1 87.4 123.6 97.1 585 713 B I E -S 487 0H 28 -98,-2.1 -98,-2.9 -2,-0.4 -323,-0.1 -0.984 58.5-100.0-165.8 140.4 87.9 125.5 100.4 586 714 B L E -S 486 0H 5 -2,-0.3 2,-0.5 -100,-0.3 -100,-0.2 -0.182 36.5-124.0 -54.3 154.0 89.9 128.1 102.1 587 715 B S - 0 0 0 -102,-2.1 -102,-0.5 1,-0.1 -328,-0.1 -0.942 7.6-154.9-100.1 132.6 92.7 127.1 104.5 588 716 B N S S+ 0 0 6 -2,-0.5 2,-1.9 -330,-0.5 77,-0.1 0.544 80.1 90.6 -77.9 -7.5 92.6 128.5 108.0 589 717 B L + 0 0 10 -331,-0.5 2,-2.1 1,-0.1 -1,-0.2 -0.600 62.3 179.4 -85.7 77.4 96.3 128.1 108.3 590 718 B A > + 0 0 0 -2,-1.9 3,-1.8 1,-0.2 105,-0.4 -0.380 18.5 152.2 -85.6 62.3 96.7 131.7 107.0 591 719 B D T 3 + 0 0 32 -2,-2.1 -1,-0.2 1,-0.3 3,-0.2 0.416 68.6 58.9 -80.9 3.8 100.5 131.8 107.1 592 720 B L T 3 S+ 0 0 57 -109,-0.4 -109,-0.7 1,-0.2 2,-0.3 0.327 97.0 65.8-102.1 2.0 100.7 134.4 104.3 593 721 B R S < S+ 0 0 0 -3,-1.8 102,-2.6 -111,-0.2 2,-0.3 -0.608 75.4 163.8-120.8 69.4 98.5 136.8 106.3 594 722 B L E - 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0 0 0 -2,-0.7 2,-0.3 -141,-0.3 29,-0.1 -0.937 30.3-143.0-140.3 160.9 90.1 139.5 110.3 698 826 B G - 0 0 0 -2,-0.3 -142,-0.2 -46,-0.1 -143,-0.1 -0.899 22.4-163.2-127.3 155.8 87.6 141.6 108.4 699 827 B L S S+ 0 0 24 -144,-3.0 2,-0.3 -2,-0.3 -143,-0.2 0.391 91.9 40.8-101.5 -9.3 86.1 145.1 108.5 700 828 B V S S+ 0 0 64 -145,-1.0 -143,-0.4 -3,-0.0 4,-0.1 -0.814 82.2 66.2-128.9 169.3 83.3 143.8 106.3 701 829 B G S > S- 0 0 35 -2,-0.3 3,-1.3 1,-0.2 4,-0.5 0.463 87.9 -15.3 91.1 132.6 81.2 140.6 106.1 702 830 B G T >> S- 0 0 52 1,-0.2 4,-2.1 2,-0.2 3,-1.3 -0.048 126.7 -0.1 50.4-134.7 78.6 139.0 108.3 703 831 B A H 3> S+ 0 0 3 -50,-0.3 4,-2.3 1,-0.3 7,-0.3 0.716 122.6 70.0 -63.7 -24.6 78.3 140.2 111.9 704 832 B T H <4 S+ 0 0 1 -3,-1.3 -1,-0.3 -51,-0.6 -2,-0.2 0.891 113.4 30.8 -58.6 -38.2 81.1 142.8 111.5 705 833 B K H <4 S+ 0 0 123 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.894 125.6 42.5 -79.9 -48.6 78.7 144.7 109.3 706 834 B T H < S+ 0 0 67 -4,-2.1 -3,-0.2 -53,-0.1 -2,-0.2 0.709 92.1 82.8 -84.5 -25.2 75.3 143.7 110.8 707 835 B H >X - 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 3,-0.7 -0.738 68.5-149.5 -81.6 116.4 76.0 143.9 114.6 708 836 B P H 3> S+ 0 0 35 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.822 98.6 50.4 -54.9 -31.3 75.6 147.6 115.6 709 837 B L H 3> S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.764 104.2 55.9 -80.0 -25.4 78.2 147.1 118.4 710 838 B A H <> S+ 0 0 0 -3,-0.7 4,-2.0 -7,-0.3 -1,-0.2 0.919 110.7 46.9 -66.5 -40.4 80.7 145.5 116.0 711 839 B Q H X S+ 0 0 87 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.904 111.8 50.0 -62.9 -43.5 80.4 148.7 114.0 712 840 B L H X S+ 0 0 3 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.911 107.3 54.9 -61.2 -42.8 80.8 150.7 117.2 713 841 B S H X S+ 0 0 0 -4,-2.6 4,-2.7 -62,-0.3 -2,-0.2 0.923 107.8 48.6 -56.5 -45.4 83.9 148.7 118.1 714 842 B L H X>S+ 0 0 19 -4,-2.0 4,-2.0 1,-0.2 5,-0.7 0.866 110.8 51.5 -63.2 -37.4 85.5 149.6 114.7 715 843 B R H <5S+ 0 0 102 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.905 110.7 47.9 -62.2 -45.2 84.6 153.3 115.3 716 844 B I H <5S+ 0 0 2 -4,-2.8 -268,-0.6 1,-0.2 -2,-0.2 0.932 114.2 47.0 -61.3 -45.9 86.2 153.1 118.7 717 845 B L H <5S- 0 0 8 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.813 94.4-145.7 -65.2 -35.7 89.3 151.5 117.2 718 846 B G T <5 + 0 0 46 -4,-2.0 -3,-0.1 1,-0.2 2,-0.1 0.603 36.7 163.8 76.4 14.3 89.6 153.9 114.3 719 847 B V < - 0 0 19 -5,-0.7 -1,-0.2 1,-0.1 3,-0.1 -0.406 25.1-175.1 -71.4 138.0 90.9 151.2 112.0 720 848 B K + 0 0 177 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.571 69.7 32.5-108.1 -15.3 90.8 151.9 108.2 721 849 B T S > S- 0 0 65 1,-0.1 4,-1.3 -23,-0.0 3,-0.2 -0.955 77.9-118.7-136.1 157.4 92.0 148.5 106.9 722 850 B A H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.869 115.4 57.5 -60.8 -37.3 91.6 144.9 108.1 723 851 B Q H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.861 101.6 55.8 -65.2 -31.2 95.4 144.6 108.4 724 852 B A H > S+ 0 0 31 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.891 108.5 47.5 -64.1 -39.9 95.4 147.6 110.8 725 853 B L H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.892 109.6 54.5 -64.8 -40.8 92.9 145.7 113.0 726 854 B A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.886 106.0 52.0 -58.2 -41.7 95.2 142.6 112.7 727 855 B E H X S+ 0 0 31 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.884 109.2 48.7 -67.0 -38.0 98.1 144.7 114.0 728 856 B I H X S+ 0 0 7 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.925 107.8 57.1 -65.3 -41.7 96.1 145.8 117.0 729 857 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.911 108.3 44.6 -55.2 -47.0 95.1 142.2 117.7 730 858 B V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.855 110.3 55.4 -71.7 -30.8 98.7 141.0 117.9 731 859 B A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.922 110.9 45.2 -61.1 -44.2 99.7 144.0 120.1 732 860 B V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.896 112.3 51.4 -67.9 -39.9 96.9 143.0 122.6 733 861 B G H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.912 111.5 47.8 -61.5 -42.1 98.0 139.3 122.4 734 862 B L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.916 111.5 49.9 -65.4 -45.3 101.6 140.2 123.2 735 863 B A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.897 110.7 50.6 -58.5 -42.3 100.5 142.5 126.1 736 864 B Q H X S+ 0 0 13 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.928 109.4 49.1 -66.1 -45.2 98.4 139.7 127.5 737 865 B N H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.929 111.8 50.2 -57.8 -46.0 101.1 137.2 127.4 738 866 B L H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.925 110.4 49.8 -57.6 -46.4 103.5 139.6 129.1 739 867 B G H X S+ 0 0 7 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.917 112.2 47.9 -59.0 -45.7 101.0 140.3 131.8 740 868 B A H X S+ 0 0 32 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.925 114.3 44.5 -62.6 -48.1 100.5 136.6 132.4 741 869 B M H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.883 111.9 53.0 -66.0 -39.2 104.2 135.8 132.6 742 870 B R H X S+ 0 0 56 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.932 110.9 47.1 -60.7 -45.8 105.0 138.8 134.8 743 871 B A H X S+ 0 0 43 -4,-2.2 4,-1.0 1,-0.2 3,-0.3 0.927 115.4 45.1 -62.7 -45.3 102.3 137.7 137.3 744 872 B L H < S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.839 114.2 49.9 -67.6 -32.3 103.5 134.1 137.3 745 873 B A H < S+ 0 0 16 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.696 114.1 42.6 -81.5 -19.4 107.2 135.2 137.6 746 874 B T H < S+ 0 0 16 -4,-1.4 2,-0.4 -3,-0.3 -1,-0.2 0.530 81.0 114.8-105.8 -9.1 106.7 137.6 140.5 747 875 B E < - 0 0 115 -4,-1.0 3,-0.1 -5,-0.2 -4,-0.0 -0.504 66.4-126.2 -69.3 119.9 104.3 135.6 142.7 748 876 B G - 0 0 34 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 -0.197 23.6-102.4 -62.9 154.3 106.1 134.7 146.0 749 877 B I 0 0 56 1,-0.1 -1,-0.1 -542,-0.1 -555,-0.1 -0.674 360.0 360.0 -78.2 131.2 106.4 131.1 147.2 750 878 B Q 0 0 130 -2,-0.4 -1,-0.1 -557,-0.3 -556,-0.1 0.563 360.0 360.0 -83.6 360.0 103.9 130.5 150.0