==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-OCT-03 1R7I . COMPND 2 MOLECULE: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS MEVALONII; . AUTHOR J.M.WATSON,C.N.STEUSSY,J.W.BURGNER,C.M.LAWRENCE,L.TABERNERO, . 747 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 16.3 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 . 32 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 37.8 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 1 1 2 2 1 4 2 3 2 0 0 0 2 0 2 0 2 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 4 4 0 0 4 3 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 0 105 0, 0.0 2,-0.5 0, 0.0 71,-0.5 0.000 360.0 360.0 360.0 137.8 62.3 114.6 126.2 2 4 A D - 0 0 61 21,-0.1 3,-0.4 69,-0.1 69,-0.0 -0.975 360.0-167.7-120.3 113.6 62.0 114.7 122.4 3 5 A S + 0 0 0 -2,-0.5 62,-4.0 63,-0.2 63,-0.2 0.166 54.5 111.1 -90.1 20.0 64.5 117.0 120.6 4 6 A R - 0 0 119 60,-0.2 -1,-0.2 61,-0.1 3,-0.2 0.865 49.1-171.5 -52.4 -51.4 62.9 116.9 117.1 5 7 A L > - 0 0 8 -3,-0.4 3,-2.4 1,-0.2 4,-0.3 0.856 18.1-151.7 52.7 42.1 61.8 120.5 117.2 6 8 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.194 74.3 2.4 -46.6 127.4 59.7 120.1 114.0 7 9 A A T >> S+ 0 0 66 -3,-0.2 3,-2.3 1,-0.1 4,-0.8 0.397 92.0 131.9 74.2 -0.0 59.4 123.3 112.0 8 10 A F G X4 + 0 0 2 -3,-2.4 3,-1.2 1,-0.3 8,-0.1 0.870 61.5 64.0 -47.1 -46.0 61.6 124.9 114.6 9 11 A R G 34 S+ 0 0 168 -4,-0.3 -1,-0.3 1,-0.3 415,-0.2 0.736 110.1 38.7 -54.0 -23.8 63.7 126.4 111.9 10 12 A N G <4 S+ 0 0 139 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.510 90.7 102.1-108.4 -5.8 60.7 128.5 110.7 11 13 A L S << S- 0 0 50 -3,-1.2 413,-0.1 -4,-0.8 -4,-0.0 -0.368 81.8-103.5 -72.4 157.0 59.1 129.5 114.0 12 14 A S > - 0 0 60 1,-0.1 4,-3.4 -2,-0.1 5,-0.2 -0.374 35.0-104.4 -74.7 165.1 59.7 133.0 115.1 13 15 A P H > S+ 0 0 24 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.906 124.9 50.9 -57.1 -39.7 62.2 133.3 118.0 14 16 A A H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.930 112.2 45.0 -62.6 -48.1 59.2 133.9 120.3 15 17 A A H > S+ 0 0 37 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.905 113.3 51.5 -63.2 -42.7 57.5 130.8 119.1 16 18 A R H X S+ 0 0 11 -4,-3.4 4,-2.8 1,-0.2 -2,-0.2 0.925 110.5 48.8 -59.5 -46.0 60.7 128.9 119.3 17 19 A L H X S+ 0 0 7 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.923 111.0 48.9 -60.5 -47.1 61.3 130.0 122.9 18 20 A D H X S+ 0 0 93 -4,-2.5 4,-2.1 1,-0.3 5,-0.3 0.896 111.5 51.4 -59.3 -43.3 57.7 129.1 123.9 19 21 A H H X S+ 0 0 69 -4,-2.5 4,-2.2 1,-0.2 3,-0.3 0.938 110.7 45.6 -59.0 -49.4 58.3 125.8 122.4 20 22 A I H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 6,-0.3 0.843 111.7 57.7 -62.2 -32.4 61.5 125.3 124.2 21 23 A G H X>S+ 0 0 7 -4,-2.8 5,-2.3 -5,-0.2 4,-1.3 0.855 111.2 37.2 -65.1 -37.7 59.6 126.5 127.3 22 24 A Q H <5S+ 0 0 140 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.876 113.6 55.5 -73.5 -53.4 56.8 123.9 127.2 23 25 A L H <5S+ 0 0 61 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.832 120.1 31.6 -51.5 -38.3 58.9 121.1 126.1 24 26 A L H <5S- 0 0 53 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.672 104.6-121.8 -98.7 -19.9 61.2 121.7 129.1 25 27 A G T <5 + 0 0 62 -4,-1.3 -3,-0.2 1,-0.2 -4,-0.1 0.830 46.5 176.3 81.2 33.2 58.7 122.9 131.6 26 28 A L < - 0 0 31 -5,-2.3 -1,-0.2 -6,-0.3 2,-0.1 -0.352 28.4-113.4 -70.4 153.0 60.5 126.2 132.1 27 29 A S > - 0 0 51 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.352 25.4-108.6 -81.9 166.4 59.0 128.9 134.4 28 30 A H H > S+ 0 0 150 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.890 122.5 56.3 -61.7 -35.9 57.7 132.2 133.2 29 31 A D H > S+ 0 0 122 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.905 107.2 47.4 -63.2 -41.4 60.7 133.7 135.0 30 32 A D H >4 S+ 0 0 31 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.908 112.3 48.0 -67.0 -42.1 63.1 131.5 133.0 31 33 A V H >X S+ 0 0 27 -4,-2.3 3,-1.8 1,-0.2 4,-1.4 0.860 103.1 64.2 -65.9 -33.0 61.4 132.3 129.6 32 34 A S H 3X S+ 0 0 36 -4,-2.2 4,-1.1 1,-0.3 -1,-0.2 0.803 91.3 67.4 -60.7 -28.5 61.5 136.0 130.6 33 35 A L H << S+ 0 0 47 -4,-0.8 -1,-0.3 -3,-0.7 6,-0.2 0.762 111.2 29.6 -67.5 -25.8 65.3 135.7 130.5 34 36 A L H <4 S+ 0 0 13 -3,-1.8 -1,-0.2 -4,-0.3 394,-0.2 0.486 112.7 65.4-108.1 -9.1 65.4 135.1 126.7 35 37 A A H < S+ 0 0 58 -4,-1.4 2,-0.4 1,-0.1 -2,-0.2 0.669 105.8 39.5 -83.3 -19.3 62.3 137.1 125.9 36 38 A N S < S- 0 0 112 -4,-1.1 3,-0.2 -5,-0.2 392,-0.1 -0.986 86.7-113.9-131.9 145.4 63.7 140.5 126.9 37 39 A A S S+ 0 0 55 -2,-0.4 373,-0.1 1,-0.2 -2,-0.1 -0.175 87.7 54.3 -68.8 165.1 67.2 141.9 126.5 38 40 A G + 0 0 31 371,-0.1 -1,-0.2 -4,-0.0 4,-0.1 0.787 49.0 149.1 83.0 29.5 69.4 142.6 129.4 39 41 A A + 0 0 13 -6,-0.2 -2,-0.1 -3,-0.2 -5,-0.0 0.762 65.1 70.7 -65.3 -20.6 69.5 139.3 131.2 40 42 A L S S- 0 0 4 293,-0.1 -1,-0.2 294,-0.1 293,-0.1 -0.808 86.6-140.2-103.2 91.9 73.0 140.2 132.3 41 43 A P >> - 0 0 54 0, 0.0 4,-3.5 0, 0.0 3,-1.5 -0.207 13.4-126.6 -48.9 137.1 72.8 143.0 134.9 42 44 A M H 3> S+ 0 0 71 1,-0.3 4,-5.0 2,-0.2 5,-0.3 0.876 111.6 53.8 -55.2 -43.1 75.5 145.7 134.6 43 45 A D H 34 S+ 0 0 126 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.706 112.1 44.9 -70.0 -17.3 76.5 145.3 138.2 44 46 A I H X> S+ 0 0 56 -3,-1.5 3,-1.3 2,-0.1 4,-1.3 0.914 118.0 44.2 -82.0 -52.3 77.0 141.6 137.5 45 47 A A H >X S+ 0 0 0 -4,-3.5 4,-1.4 1,-0.3 3,-0.8 0.898 110.8 54.6 -51.2 -48.2 78.8 142.5 134.2 46 48 A N H 3< S+ 0 0 55 -4,-5.0 -1,-0.3 1,-0.3 6,-0.2 0.731 109.8 47.4 -61.7 -23.9 80.8 145.2 136.0 47 49 A G H <4 S+ 0 0 67 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.649 103.0 65.5 -92.8 -16.4 82.0 142.7 138.5 48 50 A M H << S- 0 0 13 -4,-1.3 2,-0.3 -3,-0.8 -2,-0.2 0.966 115.7 -1.6 -69.6 -57.4 82.9 140.1 135.9 49 51 A I S < S- 0 0 3 -4,-1.4 3,-0.4 406,-0.1 2,-0.2 -0.781 82.2 -92.3-128.7 178.9 85.7 141.9 134.1 50 52 A E S S+ 0 0 29 -2,-0.3 385,-0.1 1,-0.2 408,-0.1 -0.498 94.0 19.4 -94.5 161.6 87.5 145.3 134.4 51 53 A N S S+ 0 0 4 331,-0.2 384,-1.6 1,-0.2 -1,-0.2 0.793 79.5 179.0 54.9 36.9 86.9 148.7 132.6 52 54 A V E +A 434 0A 0 -3,-0.4 382,-0.3 -6,-0.2 337,-0.2 -0.416 22.8 166.7 -70.2 139.2 83.3 147.7 131.7 53 55 A I E - 0 0 3 380,-2.8 2,-0.3 1,-0.3 381,-0.2 0.236 65.5 -42.9-133.3 5.0 81.2 150.3 129.8 54 56 A G E -A 433 0A 0 379,-1.0 379,-3.0 -12,-0.1 2,-0.3 -0.994 66.4 -71.9 164.1-159.7 78.4 148.0 128.7 55 57 A T E -A 432 0A 19 -2,-0.3 2,-0.4 377,-0.3 357,-0.1 -0.821 24.9-146.8-127.1 168.5 77.5 144.6 127.3 56 58 A F E -A 431 0A 4 375,-2.5 375,-1.6 -2,-0.3 2,-0.3 -0.995 17.9-147.8-138.0 127.8 77.7 142.9 123.9 57 59 A E E -A 430 0A 4 -2,-0.4 373,-0.2 373,-0.2 651,-0.1 -0.699 14.8-178.1-103.0 154.9 75.2 140.4 122.5 58 60 A L E -A 429 0A 12 371,-1.7 371,-2.4 -2,-0.3 22,-0.1 -0.930 44.6 -84.3-139.6 149.5 75.4 137.4 120.3 59 61 A P E -A 428 0A 0 0, 0.0 20,-0.7 0, 0.0 2,-0.6 -0.317 35.2-146.7 -57.2 143.6 72.5 135.2 119.1 60 62 A Y E +AB 427 78A 0 367,-3.0 366,-2.8 18,-0.2 367,-1.0 -0.969 30.1 168.3-114.9 115.2 71.4 132.5 121.5 61 63 A A E -AB 425 77A 0 16,-3.0 16,-2.4 -2,-0.6 2,-0.4 -0.704 29.8-134.7-123.4 174.7 70.2 129.4 119.6 62 64 A V E - B 0 76A 0 362,-1.4 2,-0.3 14,-0.3 27,-0.0 -0.993 14.5-142.8-134.6 124.0 69.3 125.8 120.2 63 65 A A E - B 0 75A 0 12,-2.9 12,-1.6 -2,-0.4 3,-0.2 -0.664 25.3-141.1 -83.5 142.8 70.4 123.0 118.0 64 66 A S + 0 0 10 -2,-0.3 -60,-0.2 21,-0.3 28,-0.2 -0.523 63.6 29.0-104.5 167.8 67.8 120.2 117.5 65 67 A N + 0 0 13 -62,-4.0 -61,-0.1 1,-0.2 -1,-0.1 0.222 68.9 152.7 75.3 -12.8 67.7 116.4 117.3 66 68 A F - 0 0 0 7,-0.3 7,-2.0 -63,-0.2 2,-0.4 -0.167 21.4-171.9 -57.2 142.3 70.8 115.6 119.4 67 69 A Q E -D 72 0B 27 5,-0.2 34,-3.1 25,-0.1 2,-0.5 -0.964 4.6-165.7-140.8 117.1 70.8 112.3 121.2 68 70 A I E > S-De 71 101B 18 3,-3.2 3,-2.8 -2,-0.4 34,-0.2 -0.931 74.5 -24.5-110.1 119.2 73.4 111.3 123.7 69 71 A N T 3 S- 0 0 68 32,-3.1 -1,-0.2 -2,-0.5 33,-0.1 0.886 130.1 -46.1 45.2 46.7 73.7 107.7 124.7 70 72 A G T 3 S+ 0 0 50 29,-0.5 2,-0.5 31,-0.4 -1,-0.3 0.257 119.5 105.3 85.8 -10.2 70.1 107.1 123.7 71 73 A R E < -D 68 0B 191 -3,-2.8 -3,-3.2 -69,-0.0 -1,-0.2 -0.882 68.9-120.6-112.5 137.1 68.7 110.2 125.4 72 74 A D E -D 67 0B 32 -2,-0.5 2,-0.3 -71,-0.5 -5,-0.2 -0.362 30.4-176.7 -69.4 143.5 67.5 113.3 123.7 73 75 A V - 0 0 12 -7,-2.0 2,-0.4 -2,-0.1 -7,-0.3 -0.999 22.4-140.1-143.4 140.6 69.1 116.7 124.5 74 76 A L - 0 0 0 268,-0.6 -10,-0.2 -2,-0.3 -71,-0.0 -0.847 24.9-149.6 -99.6 137.1 68.5 120.3 123.4 75 77 A V E -B 63 0A 0 -12,-1.6 -12,-2.9 -2,-0.4 2,-0.2 -0.913 2.9-150.3-117.9 113.0 71.8 122.2 122.9 76 78 A P E -B 62 0A 0 0, 0.0 2,-0.3 0, 0.0 -14,-0.3 -0.525 19.4-176.7 -77.8 144.2 72.2 126.0 123.4 77 79 A L E -B 61 0A 1 -16,-2.4 -16,-3.0 -2,-0.2 2,-0.5 -0.998 17.1-162.8-144.6 137.3 74.8 127.8 121.2 78 80 A V E +B 60 0A 1 195,-1.3 2,-0.3 -2,-0.3 198,-0.2 -0.969 37.6 122.3-124.6 113.7 76.0 131.4 121.0 79 81 A V - 0 0 0 -20,-0.7 343,-0.1 -2,-0.5 -2,-0.1 -0.972 53.8-134.7-162.5 164.7 77.9 132.4 117.9 80 82 A E S S+ 0 0 17 -2,-0.3 574,-0.1 -22,-0.1 -1,-0.0 0.552 74.1 94.0-104.4 -12.0 77.8 134.9 115.0 81 83 A E > - 0 0 54 188,-0.1 3,-0.5 620,-0.1 4,-0.3 -0.675 69.0-129.0 -89.7 131.9 78.5 132.7 112.0 82 84 A P T 3 S+ 0 0 67 0, 0.0 2,-0.2 0, 0.0 340,-0.1 -0.266 82.4 33.4 -75.7 165.3 75.6 131.2 109.9 83 85 A S T 3> S+ 0 0 76 1,-0.1 4,-3.1 4,-0.0 5,-0.3 -0.080 89.2 97.0 83.9 -31.1 75.1 127.5 109.0 84 86 A I H <> S+ 0 0 3 -3,-0.5 4,-2.3 -2,-0.2 5,-0.2 0.945 86.6 41.7 -52.7 -58.2 76.7 126.1 112.2 85 87 A V H > S+ 0 0 0 -4,-0.3 4,-2.1 1,-0.2 -21,-0.3 0.894 117.8 46.9 -58.9 -43.9 73.4 125.6 114.0 86 88 A A H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.932 112.5 48.7 -65.3 -48.4 71.6 124.2 111.0 87 89 A A H X S+ 0 0 27 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.897 112.4 49.0 -57.9 -44.0 74.4 121.8 110.0 88 90 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.907 113.0 47.3 -63.3 -44.4 74.7 120.5 113.6 89 91 A S H X S+ 0 0 7 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.887 111.9 49.8 -65.9 -41.5 71.0 119.9 113.8 90 92 A Y H X S+ 0 0 90 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.918 113.0 44.7 -66.2 -44.0 70.8 118.2 110.4 91 93 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.848 110.3 55.3 -69.5 -32.1 73.7 115.8 111.1 92 94 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.905 106.6 53.5 -63.2 -39.4 72.3 115.1 114.6 93 95 A K H X S+ 0 0 125 -4,-1.8 4,-0.8 1,-0.2 3,-0.2 0.911 108.6 46.4 -61.3 -45.7 69.1 114.1 112.8 94 96 A L H < S+ 0 0 18 -4,-1.8 4,-0.5 1,-0.2 3,-0.4 0.860 109.3 58.5 -65.7 -32.6 70.8 111.7 110.5 95 97 A A H ><>S+ 0 0 1 -4,-2.1 5,-3.3 1,-0.2 3,-1.2 0.841 93.8 64.2 -65.6 -34.7 72.6 110.3 113.6 96 98 A R H ><5S+ 0 0 45 -4,-1.6 3,-1.9 1,-0.3 -1,-0.2 0.852 92.0 64.2 -57.4 -39.4 69.3 109.4 115.4 97 99 A A T 3<5S+ 0 0 73 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.779 109.5 38.8 -56.6 -29.5 68.5 106.8 112.8 98 100 A N T < 5S- 0 0 30 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.052 139.4 -72.2-111.5 24.4 71.5 104.8 113.8 99 101 A G T < 5 - 0 0 40 -3,-1.9 -29,-0.5 -29,-0.0 -3,-0.3 0.445 66.3-111.3 103.9 0.7 71.3 105.3 117.5 100 102 A G < - 0 0 5 -5,-3.3 2,-0.4 126,-0.2 126,-0.3 -0.403 69.0 -21.3 73.1-152.5 72.4 108.9 117.8 101 103 A F B -e 68 0B 0 -34,-3.1 -32,-3.1 124,-0.1 2,-0.6 -0.789 53.2-153.6 -99.7 137.8 75.7 109.7 119.5 102 104 A T E +F 224 0C 71 122,-1.6 122,-1.9 -2,-0.4 2,-0.2 -0.945 26.1 175.8-108.5 121.2 77.6 107.4 121.8 103 105 A T E +F 223 0C 11 -2,-0.6 2,-0.3 120,-0.2 120,-0.2 -0.764 16.4 163.1-125.3 169.7 79.9 109.2 124.3 104 106 A S E -F 222 0C 51 118,-1.6 118,-3.3 -2,-0.2 2,-0.3 -0.949 12.2-164.2-170.0 169.0 82.2 108.6 127.2 105 107 A S E -F 221 0C 29 -2,-0.3 116,-0.2 116,-0.2 2,-0.1 -0.989 22.2-107.4-160.8 163.8 84.9 110.5 129.1 106 108 A S - 0 0 31 114,-2.4 113,-0.1 -2,-0.3 116,-0.0 -0.272 57.6 -73.8 -84.9 177.4 87.8 110.1 131.5 107 109 A A - 0 0 45 1,-0.1 2,-2.7 111,-0.1 -1,-0.2 -0.413 61.0 -90.8 -69.8 152.4 87.6 111.4 135.1 108 110 A P + 0 0 10 0, 0.0 71,-2.2 0, 0.0 2,-0.4 -0.372 66.7 167.5 -66.7 72.4 87.9 115.2 135.4 109 111 A L E +I 178 0D 38 -2,-2.7 109,-0.3 109,-0.5 2,-0.3 -0.791 11.6 178.4 -97.8 129.1 91.7 115.2 135.7 110 112 A M E -I 177 0D 1 67,-2.6 67,-2.8 -2,-0.4 2,-0.3 -0.907 21.7-129.0-125.9 152.2 93.8 118.4 135.4 111 113 A H E -I 176 0D 1 102,-0.4 102,-1.5 -2,-0.3 2,-0.5 -0.780 10.4-162.4 -99.9 148.6 97.5 119.1 135.7 112 114 A A E -IJ 175 212D 0 63,-1.4 63,-2.6 -2,-0.3 2,-0.3 -1.000 20.2-141.8-124.9 123.3 99.1 121.8 137.9 113 115 A Q E -IJ 174 211D 0 98,-3.1 98,-1.8 -2,-0.5 2,-0.5 -0.711 15.7-171.1 -91.6 139.7 102.7 122.5 136.8 114 116 A V E -IJ 173 210D 0 59,-2.4 59,-2.8 -2,-0.3 2,-0.4 -0.880 12.4-159.2-130.8 97.4 105.3 123.3 139.4 115 117 A Q E -I 172 0D 0 94,-2.2 93,-3.0 -2,-0.5 2,-0.4 -0.640 6.9-166.1 -80.5 129.6 108.5 124.4 137.6 116 118 A I E +IJ 171 207D 0 55,-3.7 55,-2.6 -2,-0.4 91,-0.2 -0.970 13.9 162.5-122.2 130.9 111.7 124.1 139.6 117 119 A V E + J 0 206D 14 89,-2.4 89,-2.6 -2,-0.4 53,-0.1 -0.653 42.8 69.9-129.5-173.5 115.0 125.7 138.8 118 120 A G S S+ 0 0 57 51,-0.3 2,-0.3 87,-0.2 -1,-0.1 0.865 73.7 114.1 67.1 39.3 118.3 126.5 140.5 119 121 A I - 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0 0 41 -84,-0.1 -4,-3.0 1,-0.1 2,-0.4 -0.493 52.8-116.7 -78.5 146.1 78.8 102.4 107.1 313 315 A L E -GH 227 307C 0 -86,-2.6 -86,-2.5 -6,-0.2 2,-0.4 -0.677 35.8-175.1 -81.5 128.9 80.5 105.7 107.7 314 316 A V E -GH 226 306C 30 -8,-2.9 -8,-2.1 -2,-0.4 2,-0.3 -0.989 3.7-177.4-132.3 127.3 81.8 105.9 111.3 315 317 A G E -GH 225 305C 1 -90,-1.6 -90,-1.6 -2,-0.4 2,-0.3 -0.835 4.5-166.4-121.1 157.9 83.5 108.9 112.9 316 318 A T E -GH 224 304C 43 -12,-1.8 -12,-1.6 -2,-0.3 2,-0.3 -0.950 8.7-164.3-138.5 159.9 85.0 109.6 116.3 317 319 A L E +GH 223 303C 1 -94,-1.7 -94,-1.7 -2,-0.3 2,-0.4 -0.887 14.2 168.6-146.4 110.1 86.1 112.6 118.3 318 320 A E E +G 222 0C 72 -16,-0.9 -96,-0.2 -2,-0.3 -213,-0.1 -0.997 22.2 132.1-122.4 128.7 88.4 112.2 121.3 319 321 A M E -G 221 0C 0 -98,-1.6 -98,-2.2 -2,-0.4 2,-0.2 -0.988 59.9 -77.3-166.7 163.4 89.9 115.4 122.7 320 322 A P E -G 220 0C 0 0, 0.0 -100,-0.3 0, 0.0 -103,-0.1 -0.496 41.4-177.5 -71.0 143.5 90.6 117.2 126.0 321 323 A M - 0 0 0 -102,-2.5 2,-0.9 -105,-0.3 31,-0.1 -0.574 3.8-179.2-142.7 76.2 87.5 119.0 127.2 322 324 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 -139,-0.1 -0.672 26.3 143.3 -81.3 105.0 88.1 121.0 130.4 323 325 A V - 0 0 0 -2,-0.9 2,-0.3 -141,-0.2 29,-0.1 -0.905 32.2-143.4-135.8 167.2 84.7 122.6 131.3 324 326 A G - 0 0 1 -2,-0.3 -142,-0.2 2,-0.1 -143,-0.1 -0.941 22.6-161.8-136.0 157.5 82.8 123.4 134.4 325 327 A L S S+ 0 0 24 -144,-3.2 -143,-0.2 -2,-0.3 -1,-0.1 0.567 96.4 30.1-102.4 -20.0 79.3 123.5 135.9 326 328 A V S S+ 0 0 59 -145,-1.2 4,-0.3 5,-0.0 -2,-0.1 -0.057 87.4 85.1-113.5-146.6 80.4 125.8 138.7 327 329 A G S > S- 0 0 46 3,-0.1 3,-2.0 1,-0.1 4,-0.4 0.716 86.3 -24.9 58.3 135.3 83.3 128.3 138.5 328 330 A G T >> S+ 0 0 63 1,-0.3 4,-1.5 2,-0.2 3,-0.9 0.001 126.8 1.5 40.1-120.5 83.3 131.9 137.2 329 331 A A H 3> S+ 0 0 7 -50,-0.5 4,-1.3 1,-0.2 -1,-0.3 0.520 116.1 79.7 -76.4 -10.1 80.7 133.1 134.7 330 332 A T H <4 S+ 0 0 3 -3,-2.0 -1,-0.2 -51,-0.3 -2,-0.2 0.811 107.8 27.7 -69.4 -25.9 79.1 129.7 134.8 331 333 A K H <4 S+ 0 0 115 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.1 0.834 120.9 49.8 -99.6 -43.8 77.4 130.7 138.0 332 334 A T H < S+ 0 0 63 -4,-1.5 -3,-0.2 -53,-0.1 -2,-0.1 0.652 93.1 82.3 -72.8 -18.6 77.1 134.5 137.8 333 335 A H >X - 0 0 1 -4,-1.3 4,-2.3 1,-0.2 3,-0.6 -0.816 67.2-154.1 -94.2 114.3 75.6 134.6 134.3 334 336 A P H 3> S+ 0 0 38 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.799 97.2 50.0 -52.2 -34.0 71.8 134.0 134.4 335 337 A L H 3> S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.815 106.3 54.2 -77.6 -29.8 71.9 132.6 130.9 336 338 A A H <> S+ 0 0 0 -3,-0.6 4,-2.2 -7,-0.2 5,-0.2 0.943 110.4 47.4 -66.5 -45.8 74.7 130.3 131.6 337 339 A Q H X S+ 0 0 48 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.887 112.9 49.6 -61.7 -37.6 72.7 128.8 134.5 338 340 A L H X S+ 0 0 1 -4,-1.6 4,-2.6 -5,-0.2 -2,-0.2 0.909 106.2 55.2 -68.3 -41.1 69.7 128.6 132.1 339 341 A S H X S+ 0 0 0 -4,-2.9 4,-2.8 -62,-0.4 5,-0.2 0.924 107.3 50.2 -56.5 -45.5 71.8 126.9 129.4 340 342 A L H X>S+ 0 0 20 -4,-2.2 4,-2.5 1,-0.2 5,-0.7 0.866 109.1 53.5 -61.6 -32.6 72.8 124.2 131.9 341 343 A R H <5S+ 0 0 113 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.957 109.8 46.1 -66.2 -48.7 69.1 123.9 132.7 342 344 A I H <5S+ 0 0 4 -4,-2.6 -268,-0.6 1,-0.2 -2,-0.2 0.896 114.5 48.8 -60.4 -41.2 68.2 123.3 129.1 343 345 A L H <5S- 0 0 10 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.905 94.1-146.9 -65.6 -43.2 71.0 120.8 128.7 344 346 A G T <5 + 0 0 44 -4,-2.5 2,-0.2 1,-0.2 -3,-0.1 0.648 35.6 164.2 82.1 17.1 70.0 118.9 131.9 345 347 A V < - 0 0 19 -5,-0.7 -1,-0.2 1,-0.1 3,-0.1 -0.466 25.8-174.1 -71.6 136.5 73.6 118.1 132.7 346 348 A K + 0 0 175 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.527 70.0 33.3-106.7 -11.6 74.4 116.9 136.2 347 349 A T S > S- 0 0 64 1,-0.1 4,-1.3 -23,-0.0 3,-0.3 -0.971 77.2-119.3-141.4 157.7 78.2 116.7 135.9 348 350 A A H > S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.2 3,-0.1 0.873 115.4 55.4 -63.4 -37.4 80.9 118.7 134.1 349 351 A Q H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.798 102.3 56.9 -67.7 -25.8 82.0 115.5 132.2 350 352 A A H > S+ 0 0 30 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.884 107.9 47.1 -69.5 -38.7 78.4 115.1 131.0 351 353 A L H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.881 109.9 54.6 -67.6 -37.9 78.6 118.6 129.4 352 354 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.886 105.7 51.7 -62.8 -40.4 82.0 117.7 128.0 353 355 A E H X S+ 0 0 32 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.869 109.0 50.1 -66.2 -36.0 80.5 114.6 126.3 354 356 A I H X S+ 0 0 8 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.893 106.4 58.5 -68.4 -38.2 77.8 116.7 124.7 355 357 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.927 107.6 43.4 -57.5 -48.5 80.5 119.1 123.5 356 358 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.839 110.1 55.9 -69.6 -29.9 82.4 116.5 121.5 357 359 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.900 111.2 44.5 -66.8 -37.9 79.2 115.1 120.0 358 360 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.873 113.7 50.1 -72.7 -37.4 78.3 118.5 118.7 359 361 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.866 111.2 49.2 -67.4 -35.2 81.8 119.0 117.5 360 362 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.885 111.4 49.0 -69.3 -41.2 81.7 115.7 115.7 361 363 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.884 109.6 52.3 -66.6 -38.0 78.4 116.5 114.1 362 364 A Q H X S+ 0 0 13 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.916 109.2 48.7 -65.6 -42.6 79.7 119.9 113.0 363 365 A N H X S+ 0 0 3 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.923 110.2 53.8 -62.1 -42.7 82.7 118.3 111.3 364 366 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.944 108.3 47.6 -56.5 -53.8 80.5 115.8 109.6 365 367 A G H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.922 109.3 53.0 -55.8 -46.5 78.2 118.4 108.1 366 368 A A H X S+ 0 0 36 -4,-2.1 4,-2.2 1,-0.3 -1,-0.2 0.879 114.1 43.7 -56.3 -42.1 81.1 120.4 106.8 367 369 A M H X S+ 0 0 2 -4,-2.0 4,-1.5 2,-0.2 -1,-0.3 0.733 110.5 52.9 -75.4 -31.0 82.5 117.4 105.1 368 370 A R H X S+ 0 0 57 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.871 110.3 50.9 -71.0 -37.5 79.2 116.1 103.7 369 371 A A H >< S+ 0 0 51 -4,-2.6 3,-1.0 -5,-0.2 -2,-0.2 0.976 111.2 45.2 -61.4 -56.7 78.7 119.6 102.2 370 372 A L H 3< S+ 0 0 36 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.796 115.3 46.0 -60.5 -32.3 82.1 119.8 100.5 371 373 A A H 3< 0 0 20 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.508 360.0 360.0 -87.6 -5.6 81.9 116.2 99.0 372 374 A T << 0 0 47 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.474 360.0 360.0 -99.7 360.0 78.4 116.8 97.9 373 !* 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 0.0 374 503 B L 0 0 177 0, 0.0 2,-0.6 0, 0.0 71,-0.4 0.000 360.0 360.0 360.0 -20.0 94.1 161.0 121.1 375 504 B D + 0 0 65 21,-0.1 3,-0.5 1,-0.1 21,-0.0 -0.898 360.0 176.8-122.2 107.7 95.0 160.2 124.7 376 505 B S + 0 0 1 -2,-0.6 62,-4.5 63,-0.2 63,-0.2 0.282 50.5 106.7 -89.8 11.8 94.4 156.6 125.9 377 506 B R - 0 0 132 60,-0.2 -1,-0.2 61,-0.2 4,-0.2 0.653 55.8-168.3 -66.9 -13.8 95.7 157.0 129.4 378 507 B L > - 0 0 12 -3,-0.5 3,-1.3 1,-0.1 4,-0.4 0.774 11.8-149.4 24.3 72.4 92.2 156.9 131.0 379 508 B P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.400 76.4 1.1 -66.9 141.2 93.1 158.0 134.6 380 509 B A T >> S+ 0 0 68 1,-0.1 3,-2.6 -2,-0.1 4,-0.6 0.474 91.4 131.6 61.6 1.4 90.9 156.6 137.3 381 510 B F G X4 + 0 0 1 -3,-1.3 3,-1.4 1,-0.3 -1,-0.1 0.877 62.1 63.5 -49.6 -42.8 89.0 154.7 134.5 382 511 B R G 34 S+ 0 0 147 -4,-0.4 -1,-0.3 1,-0.3 -331,-0.2 0.629 110.4 38.1 -60.6 -13.6 89.2 151.5 136.5 383 512 B N G <4 S+ 0 0 145 -3,-2.6 -1,-0.3 2,-0.1 2,-0.2 0.389 89.5 105.9-120.0 2.6 87.1 153.1 139.2 384 513 B L S << S- 0 0 44 -3,-1.4 -333,-0.1 -4,-0.6 -4,-0.0 -0.608 80.2-105.6 -80.7 144.1 84.6 155.1 137.2 385 514 B S > - 0 0 64 -2,-0.2 4,-3.6 1,-0.1 5,-0.2 -0.183 35.2-104.7 -62.2 165.0 81.1 153.6 137.0 386 515 B P H > S+ 0 0 25 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.919 124.7 49.9 -57.2 -41.9 80.3 152.0 133.7 387 516 B A H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.933 112.6 45.9 -61.1 -49.6 78.1 155.1 132.9 388 517 B A H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.927 112.8 51.0 -60.4 -45.5 80.9 157.4 133.8 389 518 B R H X S+ 0 0 12 -4,-3.6 4,-2.7 1,-0.2 -2,-0.2 0.924 110.9 48.9 -58.5 -44.9 83.4 155.3 131.8 390 519 B L H X S+ 0 0 10 -4,-3.1 4,-3.0 2,-0.2 -1,-0.2 0.920 109.7 50.9 -60.0 -47.9 81.1 155.4 128.8 391 520 B D H X S+ 0 0 102 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.918 111.1 50.9 -54.2 -47.0 80.6 159.2 129.0 392 521 B H H >X S+ 0 0 85 -4,-2.5 4,-1.8 1,-0.2 3,-0.7 0.946 109.9 45.4 -54.1 -56.8 84.3 159.4 129.1 393 522 B I H 3X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.889 109.6 61.4 -59.4 -34.2 84.9 157.3 126.1 394 523 B G H 3<>S+ 0 0 8 -4,-3.0 5,-3.6 -5,-0.2 -1,-0.2 0.806 108.6 40.1 -57.3 -38.5 82.2 159.4 124.6 395 524 B Q H <<5S+ 0 0 148 -4,-1.6 3,-0.2 -3,-0.7 -2,-0.2 0.872 111.4 48.9 -78.3 -50.0 84.1 162.7 124.9 396 525 B L H <5S+ 0 0 57 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.789 122.0 40.0 -69.4 -21.4 87.8 161.9 124.0 397 526 B L T <5S- 0 0 57 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.540 107.3-127.6-102.8 -11.1 86.4 160.1 120.9 398 527 B G T 5 - 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0 0 6 50,-0.3 -1,-0.3 -3,-0.2 85,-0.1 -0.818 43.7-162.7 -98.3 135.6 95.5 111.7 88.6 493 622 B Q S S+ 0 0 192 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.622 92.9 44.5 -88.3 -17.5 98.1 109.0 88.1 494 623 B D > + 0 0 71 82,-0.2 4,-3.5 1,-0.1 3,-0.3 -0.480 64.9 155.4-123.3 58.0 100.8 111.6 87.5 495 624 B P H > S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.893 77.4 52.8 -52.2 -41.8 100.2 114.1 90.2 496 625 B L H > S+ 0 0 112 2,-0.2 4,-1.0 1,-0.2 -2,-0.1 0.887 114.6 41.4 -62.2 -39.4 103.8 115.3 90.0 497 626 B N H > S+ 0 0 96 -3,-0.3 4,-1.6 2,-0.2 3,-0.5 0.914 111.1 56.1 -73.5 -42.8 103.5 115.8 86.3 498 627 B A H X S+ 0 0 1 -4,-3.5 4,-2.0 1,-0.2 -2,-0.2 0.878 101.3 60.6 -55.6 -38.2 100.0 117.4 86.6 499 628 B R H X S+ 0 0 87 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.911 103.2 48.6 -57.6 -43.9 101.6 119.9 89.0 500 629 B L H X S+ 0 0 101 -4,-1.0 4,-2.3 -3,-0.5 -1,-0.2 0.844 106.5 56.9 -66.7 -32.8 103.9 121.2 86.4 501 630 B S H X S+ 0 0 40 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.911 109.1 46.8 -63.9 -40.0 101.1 121.5 83.9 502 631 B L H < S+ 0 0 0 -4,-2.0 3,-0.3 2,-0.2 7,-0.2 0.954 112.5 47.9 -65.9 -48.7 99.3 123.8 86.4 503 632 B L H >< S+ 0 0 47 -4,-2.4 3,-1.3 1,-0.2 4,-0.3 0.867 106.6 60.2 -58.7 -34.7 102.4 125.8 87.0 504 633 B R H 3< S+ 0 0 214 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.921 115.2 32.9 -58.5 -45.2 102.9 126.0 83.3 505 634 B R T >X S+ 0 0 94 -4,-1.6 4,-2.2 -3,-0.3 3,-1.1 0.053 81.8 127.0-102.7 25.5 99.5 127.8 82.9 506 635 B K H <> S+ 0 0 60 -3,-1.3 4,-2.8 1,-0.3 -1,-0.2 0.874 73.5 49.1 -45.3 -51.8 99.7 129.6 86.3 507 636 B D H 3> S+ 0 0 117 -3,-0.3 4,-1.2 -4,-0.3 -1,-0.3 0.735 108.8 53.5 -65.1 -26.0 99.0 133.0 84.7 508 637 B E H <> S+ 0 0 84 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.892 111.9 44.6 -76.2 -39.9 96.1 131.7 82.8 509 638 B I H X S+ 0 0 0 -4,-2.2 4,-2.1 -7,-0.2 -2,-0.2 0.908 111.2 53.9 -69.1 -42.0 94.6 130.3 86.1 510 639 B I H X S+ 0 0 20 -4,-2.8 4,-1.7 -5,-0.2 17,-0.2 0.840 109.7 48.6 -61.0 -34.7 95.4 133.5 87.9 511 640 B E H X S+ 0 0 115 -4,-1.2 4,-0.7 2,-0.2 -1,-0.2 0.832 107.2 52.6 -75.4 -36.9 93.5 135.6 85.3 512 641 B L H >< S+ 0 0 32 -4,-1.5 3,-1.2 2,-0.2 -2,-0.2 0.949 112.1 47.2 -63.4 -47.7 90.4 133.5 85.2 513 642 B A H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.3 -2,-0.2 0.890 111.7 52.1 -60.2 -40.3 90.2 133.8 89.0 514 643 B N H 3< S+ 0 0 34 -4,-1.7 3,-0.4 1,-0.2 -1,-0.3 0.512 98.2 63.0 -76.4 -7.8 90.8 137.6 88.7 515 644 B R T << S+ 0 0 139 -3,-1.2 -1,-0.2 -4,-0.7 3,-0.2 0.311 91.3 70.4 -97.7 10.4 88.0 138.2 86.1 516 645 B K S < S+ 0 0 104 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.452 110.5 24.4-101.2 -3.8 85.5 137.0 88.7 517 646 B D > + 0 0 55 -3,-0.4 4,-1.2 -4,-0.1 3,-0.3 -0.421 60.8 163.9-161.8 76.2 85.9 140.1 91.0 518 647 B Q H > S+ 0 0 133 -3,-0.2 4,-2.5 1,-0.2 5,-0.2 0.798 74.0 65.6 -67.8 -31.7 87.1 143.2 89.2 519 648 B L H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.927 102.4 48.7 -56.2 -46.8 86.1 145.6 92.1 520 649 B L H >>S+ 0 0 11 -3,-0.3 5,-3.0 2,-0.2 4,-0.6 0.907 109.0 53.1 -59.4 -44.3 88.6 144.0 94.4 521 650 B N H ><5S+ 0 0 46 -4,-1.2 3,-0.9 1,-0.2 -1,-0.2 0.913 112.1 44.5 -59.5 -42.7 91.3 144.3 91.7 522 651 B S H 3<5S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.869 108.7 57.8 -69.5 -34.0 90.5 148.0 91.4 523 652 B L H 3<5S- 0 0 101 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.587 130.2 -98.6 -71.1 -8.5 90.4 148.1 95.2 524 653 B G T <<5S+ 0 0 29 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.665 90.2 92.0 100.9 19.4 94.0 146.8 95.1 525 654 B G < + 0 0 2 -5,-3.0 -1,-0.3 -6,-0.1 27,-0.2 -0.405 33.7 112.8-124.9-158.7 93.5 143.1 95.8 526 655 B G E S-S 551 0G 1 25,-2.8 25,-2.3 -2,-0.1 2,-0.2 -0.458 71.6 -31.4 116.5 170.2 93.0 139.9 93.9 527 656 B C E +S 550 0G 5 23,-0.3 23,-0.3 -17,-0.2 3,-0.1 -0.432 52.0 174.9 -62.8 130.0 94.7 136.6 93.1 528 657 B R E - 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0 0 0 -2,-0.9 2,-0.3 -141,-0.2 29,-0.1 -0.923 31.9-143.5-141.0 162.4 90.4 139.5 110.3 697 826 B G - 0 0 0 -2,-0.3 -142,-0.2 -46,-0.1 -143,-0.1 -0.931 22.0-160.7-134.1 157.9 87.9 141.8 108.5 698 827 B L S S+ 0 0 21 -144,-3.2 2,-0.2 -2,-0.3 -143,-0.2 0.545 94.2 31.4-102.0 -19.5 86.4 145.3 108.6 699 828 B V S S+ 0 0 61 -145,-1.1 -143,-0.2 5,-0.0 4,-0.1 -0.542 86.2 83.7-121.9-176.0 83.5 144.3 106.4 700 829 B G S > S- 0 0 44 -2,-0.2 3,-2.0 1,-0.2 4,-0.4 0.504 83.9 -21.9 87.9 130.9 81.9 140.9 106.2 701 830 B G T >> S- 0 0 62 1,-0.3 4,-1.8 2,-0.2 3,-0.9 -0.033 127.4 -1.9 43.1-121.9 79.2 139.1 108.3 702 831 B A H 3> S+ 0 0 6 -50,-0.5 4,-1.4 1,-0.2 -1,-0.3 0.575 119.9 78.3 -78.1 -11.4 78.5 140.3 111.8 703 832 B T H <4 S+ 0 0 2 -3,-2.0 -1,-0.2 -51,-0.4 -2,-0.2 0.856 110.0 25.9 -68.3 -28.7 81.3 142.9 111.4 704 833 B K H <4 S+ 0 0 115 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.1 0.842 123.3 49.1 -97.5 -45.1 78.7 144.9 109.4 705 834 B T H < S+ 0 0 68 -4,-1.8 -3,-0.2 -53,-0.1 -2,-0.1 0.640 93.4 82.7 -72.3 -16.4 75.3 143.8 110.7 706 835 B H >X - 0 0 0 -4,-1.4 4,-2.4 1,-0.2 3,-0.7 -0.816 67.1-153.8 -96.7 115.7 76.2 144.1 114.4 707 836 B P H 3> S+ 0 0 40 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.805 97.1 49.6 -53.5 -34.8 75.8 147.8 115.6 708 837 B L H 3> S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.800 106.7 54.2 -77.3 -28.7 78.4 147.2 118.4 709 838 B A H <> S+ 0 0 0 -3,-0.7 4,-2.2 -7,-0.2 5,-0.2 0.953 110.4 47.6 -67.3 -46.8 80.9 145.7 116.0 710 839 B Q H X S+ 0 0 43 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.884 113.3 48.7 -60.3 -37.4 80.5 148.8 113.8 711 840 B L H X S+ 0 0 2 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.891 106.1 55.8 -70.0 -39.1 80.9 150.9 117.0 712 841 B S H X S+ 0 0 0 -4,-2.7 4,-2.4 -62,-0.3 -2,-0.2 0.914 108.2 48.8 -58.0 -43.7 84.0 149.0 118.1 713 842 B L H X>S+ 0 0 20 -4,-2.2 4,-2.0 1,-0.2 5,-0.6 0.835 109.8 52.9 -64.3 -32.3 85.6 149.8 114.7 714 843 B R H <5S+ 0 0 120 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.877 110.5 47.1 -69.3 -38.0 84.6 153.4 115.4 715 844 B I H <5S+ 0 0 5 -4,-2.6 -268,-0.6 1,-0.2 -2,-0.2 0.847 113.5 47.9 -69.9 -34.7 86.3 153.3 118.8 716 845 B L H <5S- 0 0 9 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.843 94.7-143.3 -74.7 -36.4 89.5 151.7 117.3 717 846 B G T <5 + 0 0 46 -4,-2.0 -3,-0.1 1,-0.2 2,-0.1 0.606 37.5 166.1 81.5 13.7 89.7 154.1 114.5 718 847 B V < - 0 0 18 -5,-0.6 -1,-0.2 1,-0.1 -2,-0.1 -0.393 25.5-176.2 -69.3 134.9 91.0 151.4 112.1 719 848 B K + 0 0 175 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.580 69.9 31.2-104.5 -14.2 91.0 152.2 108.4 720 849 B T S > S- 0 0 65 1,-0.1 4,-1.4 -23,-0.0 3,-0.3 -0.964 76.8-118.7-140.5 157.9 92.1 148.8 107.2 721 850 B A H > S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.863 115.7 55.4 -62.5 -36.8 91.8 145.1 108.3 722 851 B Q H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.817 102.2 56.8 -68.2 -27.3 95.6 144.8 108.6 723 852 B A H > S+ 0 0 31 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.883 108.2 47.3 -68.0 -37.9 95.5 147.8 111.0 724 853 B L H X S+ 0 0 2 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.882 109.8 54.2 -69.0 -37.9 93.1 145.9 113.2 725 854 B A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.901 105.8 52.0 -62.4 -42.0 95.3 142.9 112.9 726 855 B E H X S+ 0 0 30 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.871 108.7 50.4 -64.3 -36.6 98.3 144.9 114.2 727 856 B I H X S+ 0 0 6 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.897 106.1 58.4 -68.0 -37.3 96.3 146.1 117.2 728 857 B A H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.925 107.3 43.8 -58.9 -48.1 95.3 142.4 117.9 729 858 B V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.844 110.1 56.2 -69.9 -29.8 98.9 141.2 118.2 730 859 B A H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.913 111.1 44.6 -66.2 -38.8 100.0 144.2 120.3 731 860 B V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.888 113.6 50.0 -71.1 -37.9 97.2 143.3 122.8 732 861 B G H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.865 111.0 49.5 -67.0 -35.9 98.1 139.7 122.6 733 862 B L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.909 111.6 48.6 -68.4 -43.2 101.7 140.5 123.3 734 863 B A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.899 109.7 52.3 -64.6 -41.4 100.8 142.7 126.2 735 864 B Q H X S+ 0 0 13 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.904 109.6 48.5 -62.2 -42.4 98.5 140.0 127.7 736 865 B N H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.925 110.7 53.0 -62.4 -44.7 101.3 137.4 127.6 737 866 B L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.935 108.6 48.1 -54.9 -53.6 103.6 139.9 129.2 738 867 B G H X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.913 110.3 52.0 -55.0 -46.8 101.3 140.6 132.1 739 868 B A H X S+ 0 0 35 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.919 114.3 42.4 -57.0 -46.6 100.7 136.9 132.7 740 869 B M H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.881 111.5 53.9 -70.9 -38.4 104.4 136.2 132.9 741 870 B R H X S+ 0 0 54 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.928 110.5 49.1 -61.1 -42.1 105.2 139.2 135.0 742 871 B A H X S+ 0 0 42 -4,-2.5 4,-1.1 -5,-0.2 3,-0.4 0.972 115.1 40.7 -61.5 -57.3 102.6 138.1 137.5 743 872 B L H < S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.846 116.2 52.1 -60.0 -36.2 103.9 134.5 137.7 744 873 B A H < S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.788 112.4 44.8 -71.6 -30.4 107.5 135.7 137.7 745 874 B T H < S+ 0 0 17 -4,-1.9 2,-0.2 -3,-0.4 -1,-0.2 0.560 87.4 106.7 -92.5 -9.3 106.9 138.2 140.5 746 875 B E < - 0 0 109 -4,-1.1 2,-0.1 -3,-0.2 -4,-0.0 -0.520 63.4-134.2 -76.3 137.1 104.9 135.9 142.9 747 876 B G 0 0 21 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.391 360.0 360.0 -90.8 164.0 106.6 134.7 146.0 748 877 B I 0 0 102 -2,-0.1 -1,-0.1 -552,-0.1 -555,-0.0 -0.515 360.0 360.0 -78.1 360.0 106.7 131.2 147.5