==== 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 TRANSFERASE 12-DEC-03 1RV4 . COMPND 2 MOLECULE: SERINE HYDROXYMETHYLTRANSFERASE, CYTOSOLIC; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR D.M.SZEBENYI,F.N.MUSAYEV,M.L.DI SALVO,M.K.SAFO,V.SCHIRCH . 929 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 666 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 45 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 350 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.9 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 4 6 0 2 0 4 3 3 2 0 2 0 2 2 0 2 0 0 0 3 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 2 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 PARALLEL BRIDGES PER LADDER . 6 4 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 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 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 15 A W > 0 0 162 0, 0.0 4,-0.6 0, 0.0 770,-0.0 0.000 360.0 360.0 360.0 169.9 6.4 72.2 65.6 2 16 A S T 4 + 0 0 90 2,-0.2 4,-0.5 3,-0.1 0, 0.0 0.739 360.0 37.8 -87.1 -26.9 5.2 75.6 64.2 3 17 A S T > S+ 0 0 37 2,-0.2 4,-2.0 3,-0.1 5,-0.1 0.763 110.5 58.6 -93.1 -32.9 7.3 77.6 66.7 4 18 A H H > S+ 0 0 11 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.850 100.4 60.7 -64.4 -32.6 10.3 75.3 66.7 5 19 A E H < S+ 0 0 110 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.915 114.2 33.7 -60.6 -42.6 10.5 76.0 63.0 6 20 A Q H >> S+ 0 0 132 -4,-0.5 4,-2.3 1,-0.2 3,-1.9 0.660 101.9 74.4 -89.1 -17.0 11.0 79.7 63.6 7 21 A M H 3< S+ 0 0 16 -4,-2.0 504,-0.3 1,-0.3 -1,-0.2 0.912 98.6 51.3 -58.9 -40.6 13.0 79.3 66.9 8 22 A L T 3< S+ 0 0 3 -4,-1.3 502,-2.1 1,-0.2 920,-0.8 0.410 115.4 42.7 -74.1 -0.6 15.8 78.3 64.6 9 23 A A T <4 S+ 0 0 46 -3,-1.9 -2,-0.2 500,-0.2 -1,-0.2 0.580 81.3 114.0-118.0 -22.5 15.2 81.4 62.5 10 24 A Q S < S- 0 0 80 -4,-2.3 501,-0.4 1,-0.1 -3,-0.0 -0.281 73.6-114.3 -52.8 125.8 14.7 84.0 65.2 11 25 A P >> - 0 0 37 0, 0.0 4,-3.2 0, 0.0 3,-0.6 -0.226 24.4-108.8 -62.2 159.2 17.6 86.6 65.0 12 26 A L H 3> S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 8,-0.3 0.890 115.5 60.8 -55.5 -44.6 20.0 86.7 67.9 13 27 A K H 34 S+ 0 0 116 1,-0.2 -1,-0.2 2,-0.2 8,-0.1 0.859 118.0 28.7 -52.1 -42.5 18.7 90.1 69.1 14 28 A D H <4 S+ 0 0 106 -3,-0.6 3,-0.4 2,-0.1 -2,-0.2 0.912 121.9 52.5 -83.7 -50.5 15.1 88.7 69.6 15 29 A S H < S+ 0 0 10 -4,-3.2 2,-0.5 1,-0.2 -3,-0.2 0.952 127.3 9.3 -49.9 -66.7 16.1 85.2 70.4 16 30 A D X + 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 -0.844 62.5 171.3-125.7 96.0 18.7 85.8 73.2 17 31 A A H > S+ 0 0 60 -2,-0.5 4,-2.8 -3,-0.4 5,-0.2 0.808 75.4 63.0 -72.7 -31.5 18.9 89.4 74.4 18 32 A E H > S+ 0 0 99 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.877 110.7 38.7 -62.0 -38.9 21.2 88.7 77.4 19 33 A V H > S+ 0 0 0 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.873 113.9 55.2 -77.8 -40.0 24.0 87.6 75.1 20 34 A Y H X S+ 0 0 43 -4,-1.6 4,-2.1 -8,-0.3 -2,-0.2 0.920 105.9 52.6 -57.3 -45.3 23.2 90.2 72.5 21 35 A D H X S+ 0 0 83 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.890 108.9 50.1 -57.8 -43.2 23.6 92.9 75.2 22 36 A I H X S+ 0 0 9 -4,-1.1 4,-2.5 2,-0.2 5,-0.2 0.928 108.1 51.7 -63.3 -47.1 27.0 91.5 76.2 23 37 A I H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.890 111.4 49.2 -58.2 -39.4 28.2 91.6 72.6 24 38 A K H X S+ 0 0 80 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.965 110.7 48.0 -64.3 -53.5 27.1 95.2 72.3 25 39 A K H X S+ 0 0 73 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.866 114.4 47.6 -56.3 -37.8 28.8 96.3 75.5 26 40 A E H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.932 108.5 53.1 -69.6 -46.0 32.0 94.5 74.4 27 41 A S H X S+ 0 0 25 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.876 111.8 48.0 -56.2 -37.0 31.9 96.1 70.9 28 42 A N H X S+ 0 0 78 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.894 108.2 52.1 -70.8 -42.5 31.6 99.4 72.6 29 43 A R H X S+ 0 0 52 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.899 107.8 53.3 -60.3 -40.5 34.5 98.8 75.0 30 44 A Q H < S+ 0 0 5 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.845 109.4 51.9 -61.7 -33.8 36.7 97.8 72.0 31 45 A R H < S+ 0 0 96 -4,-1.1 -2,-0.2 -5,-0.2 425,-0.2 0.955 110.3 40.7 -69.9 -56.2 35.8 101.2 70.4 32 46 A V H < S+ 0 0 18 -4,-2.1 421,-0.3 422,-0.1 2,-0.2 0.376 105.9 78.7 -80.1 6.3 36.6 103.7 73.1 33 47 A G S < S- 0 0 11 -4,-0.6 2,-0.7 -3,-0.3 329,-0.2 -0.700 78.6-116.4-114.3 168.2 39.8 102.1 74.3 34 48 A L E -a 362 0A 3 327,-2.9 329,-2.7 -2,-0.2 2,-1.0 -0.892 23.8-154.0-104.7 109.7 43.4 101.9 73.1 35 49 A E E +a 363 0A 7 -2,-0.7 353,-0.7 -5,-0.2 329,-0.1 -0.724 31.1 154.0 -86.4 103.4 44.4 98.3 72.2 36 50 A L + 0 0 0 327,-1.7 348,-3.2 -2,-1.0 2,-0.6 0.245 28.0 126.3-111.1 11.1 48.2 98.1 72.6 37 51 A I > - 0 0 3 346,-0.2 3,-1.6 327,-0.2 350,-0.3 -0.610 59.0-139.4 -75.5 119.0 48.3 94.3 73.2 38 52 A A T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 347,-0.1 0.688 96.5 48.8 -50.0 -27.6 50.8 92.8 70.8 39 53 A S T 3 S+ 0 0 4 204,-0.1 204,-0.3 345,-0.1 -1,-0.3 0.614 94.1 85.9 -94.2 -11.7 48.6 89.7 70.1 40 54 A E < + 0 0 9 -3,-1.6 347,-0.6 202,-0.1 2,-0.3 -0.551 44.9 153.7 -92.0 156.5 45.2 91.3 69.4 41 55 A N - 0 0 12 481,-0.3 2,-0.5 -2,-0.2 346,-0.1 -0.941 42.3 -99.4-162.4 174.3 43.9 92.7 66.1 42 56 A F - 0 0 4 -2,-0.3 2,-0.2 344,-0.1 418,-0.1 -0.937 30.5-138.9-112.8 123.7 40.6 93.3 64.4 43 57 A A - 0 0 2 -2,-0.5 204,-0.1 416,-0.1 479,-0.1 -0.529 27.9-106.9 -79.5 145.2 39.3 90.8 61.8 44 58 A S > - 0 0 0 202,-0.7 4,-1.7 -2,-0.2 430,-0.2 -0.191 25.7-110.8 -67.1 162.6 37.7 92.2 58.6 45 59 A R H > S+ 0 0 60 428,-1.9 4,-1.8 415,-0.3 432,-0.2 0.879 115.4 54.8 -60.9 -43.5 34.0 92.0 58.0 46 60 A A H > S+ 0 0 0 429,-0.5 4,-1.6 426,-0.3 -1,-0.2 0.919 106.2 51.4 -59.1 -46.6 34.3 89.5 55.2 47 61 A V H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.908 110.6 48.9 -57.4 -43.9 36.2 87.1 57.4 48 62 A L H X S+ 0 0 3 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.808 105.5 58.3 -67.1 -29.7 33.5 87.3 60.1 49 63 A E H < S+ 0 0 50 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.861 104.1 51.9 -69.1 -34.2 30.8 86.7 57.5 50 64 A A H >< S+ 0 0 0 -4,-1.6 3,-2.3 -3,-0.2 5,-0.3 0.905 100.1 62.5 -68.5 -41.2 32.3 83.4 56.6 51 65 A L H 3< S+ 0 0 2 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.802 103.8 48.8 -54.0 -34.5 32.5 82.2 60.2 52 66 A G T 3< S+ 0 0 4 -4,-0.9 -1,-0.3 -3,-0.3 877,-0.2 0.158 90.8 120.4 -93.8 20.9 28.7 82.3 60.5 53 67 A S S X S- 0 0 0 -3,-2.3 3,-1.4 1,-0.1 4,-0.2 -0.150 83.9 -99.9 -77.6 175.8 28.1 80.4 57.3 54 68 A C G > S+ 0 0 9 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.332 107.1 92.5 -76.8 9.1 26.3 77.1 56.7 55 69 A L G > + 0 0 0 -5,-0.3 3,-0.7 1,-0.2 231,-0.3 0.675 68.8 72.7 -75.4 -17.0 29.8 75.6 56.7 56 70 A N G < S+ 0 0 9 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.822 92.2 57.7 -63.4 -32.1 29.4 75.1 60.4 57 71 A N G < S+ 0 0 11 -3,-0.7 2,-0.6 -4,-0.2 449,-0.4 0.690 83.0 93.7 -75.7 -20.3 26.9 72.3 59.6 58 72 A K < - 0 0 0 -3,-0.7 2,-0.7 -4,-0.3 228,-0.4 -0.660 57.7-159.4 -84.3 120.0 29.2 70.1 57.4 59 73 A Y + 0 0 15 -2,-0.6 2,-0.3 226,-0.1 446,-0.1 -0.862 18.5 169.6 -97.2 114.3 31.0 67.3 59.3 60 74 A S - 0 0 1 -2,-0.7 2,-0.2 224,-0.3 -2,-0.0 -0.711 13.4-168.0-131.1 84.2 34.1 66.2 57.2 61 75 A L + 0 0 17 -2,-0.3 7,-2.2 222,-0.1 8,-0.5 -0.482 59.2 14.2 -70.1 137.8 36.5 63.8 58.9 62 76 A G E S-B 67 0B 1 220,-0.3 5,-0.3 5,-0.2 -2,-0.1 -0.693 91.2 -64.0 105.9-155.7 39.8 63.5 57.0 63 77 A Y E > -B 66 0B 16 3,-1.3 3,-3.1 -2,-0.3 2,-0.2 -0.868 62.1 -67.5-134.3 166.2 41.4 65.4 54.2 64 78 A P T 3 S+ 0 0 37 0, 0.0 -2,-0.0 0, 0.0 12,-0.0 -0.374 129.2 10.3 -56.4 119.5 40.6 66.1 50.5 65 79 A G T 3 S+ 0 0 80 -2,-0.2 -3,-0.0 -3,-0.0 11,-0.0 0.301 127.3 66.9 91.2 -11.4 41.0 62.8 48.7 66 80 A Q E < S+B 63 0B 125 -3,-3.1 -3,-1.3 -5,-0.0 2,-0.1 -0.248 72.1 148.6-134.1 43.3 41.2 61.1 52.1 67 81 A R E -B 62 0B 38 -5,-0.3 -5,-0.2 1,-0.1 3,-0.1 -0.452 38.9-157.1 -81.7 153.6 37.6 61.8 53.4 68 82 A Y S S+ 0 0 111 -7,-2.2 2,-0.2 -2,-0.1 -1,-0.1 0.824 77.9 41.3 -95.5 -42.9 35.6 59.5 55.7 69 83 A Y S S- 0 0 29 -8,-0.5 3,-0.1 764,-0.1 2,-0.1 -0.684 82.5-117.8-106.3 160.8 32.1 60.7 54.8 70 84 A G S S+ 0 0 10 762,-0.5 -1,-0.1 -2,-0.2 -2,-0.1 -0.386 81.5 62.5 -91.3 172.6 30.6 61.5 51.5 71 85 A G + 0 0 13 -2,-0.1 -1,-0.2 760,-0.0 3,-0.2 0.887 61.2 127.2 80.8 40.7 29.1 64.7 50.2 72 86 A T > + 0 0 14 1,-0.1 4,-2.2 -3,-0.1 5,-0.3 0.093 21.2 121.2-116.2 23.7 32.3 66.7 50.4 73 87 A E H > S+ 0 0 126 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.912 87.5 31.3 -51.4 -48.1 32.5 68.2 46.9 74 88 A H H > S+ 0 0 13 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.765 114.2 57.9 -84.1 -29.1 32.5 71.8 48.2 75 89 A I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.834 109.8 48.7 -69.3 -29.8 34.3 71.3 51.5 76 90 A D H X S+ 0 0 35 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.902 108.6 51.5 -73.2 -43.4 37.1 69.8 49.3 77 91 A E H X S+ 0 0 65 -4,-1.3 4,-2.7 -5,-0.3 -2,-0.2 0.961 115.1 45.4 -56.5 -47.7 37.0 72.8 47.0 78 92 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.920 113.6 44.6 -62.6 -50.8 37.2 75.0 50.1 79 93 A E H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.951 116.4 48.6 -62.1 -45.0 40.0 73.2 51.9 80 94 A T H X S+ 0 0 72 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.928 110.6 50.2 -59.3 -47.2 42.0 72.9 48.7 81 95 A L H X S+ 0 0 9 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.943 110.6 50.7 -56.3 -47.2 41.5 76.6 47.9 82 96 A C H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.865 110.1 49.1 -59.4 -39.4 42.6 77.5 51.4 83 97 A Q H X S+ 0 0 49 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.908 110.9 50.3 -68.6 -40.4 45.8 75.3 51.1 84 98 A K H X S+ 0 0 111 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.942 111.2 47.6 -63.0 -48.1 46.6 76.9 47.7 85 99 A R H X S+ 0 0 10 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.824 108.0 56.9 -63.4 -31.5 46.2 80.5 49.0 86 100 A A H X S+ 0 0 0 -4,-1.6 4,-1.2 -5,-0.2 -1,-0.2 0.948 111.0 41.5 -65.5 -46.9 48.4 79.7 52.0 87 101 A L H <>S+ 0 0 14 -4,-1.9 5,-3.3 2,-0.2 3,-0.2 0.905 116.5 50.9 -65.8 -40.4 51.3 78.5 49.9 88 102 A Q H ><5S+ 0 0 112 -4,-2.4 3,-2.7 3,-0.2 -2,-0.2 0.962 104.0 56.0 -61.6 -54.3 50.8 81.4 47.5 89 103 A A H 3<5S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.799 115.2 39.1 -50.1 -34.1 50.7 84.1 50.2 90 104 A Y T 3<5S- 0 0 19 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.274 115.3-115.6-102.0 10.4 54.1 83.0 51.5 91 105 A G T < 5 + 0 0 66 -3,-2.7 2,-0.4 1,-0.2 -3,-0.2 0.898 57.1 161.7 58.5 48.3 55.5 82.4 48.0 92 106 A L < - 0 0 19 -5,-3.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.818 41.1-128.4-105.8 139.3 56.0 78.7 48.4 93 107 A D >> - 0 0 84 -2,-0.4 3,-3.2 1,-0.1 4,-2.2 -0.741 16.0-140.5 -84.7 114.5 56.4 76.1 45.7 94 108 A P T 34 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.520 102.2 62.2 -53.7 -4.1 53.9 73.3 46.2 95 109 A Q T 34 S+ 0 0 155 1,-0.1 3,-0.1 162,-0.1 -2,-0.0 0.684 116.0 29.4 -92.1 -22.1 56.6 70.9 45.1 96 110 A C T <4 S+ 0 0 51 -3,-3.2 161,-3.2 1,-0.1 2,-0.3 0.597 124.2 43.7-109.4 -19.7 58.8 72.0 48.1 97 111 A W E < -C 256 0C 15 -4,-2.2 2,-0.3 159,-0.3 159,-0.2 -0.950 55.1-176.2-132.5 152.5 56.2 72.9 50.6 98 112 A G E -C 255 0C 0 157,-2.3 157,-1.9 -2,-0.3 2,-0.3 -0.829 11.0-151.4-134.0 171.4 52.9 71.6 51.9 99 113 A V E -C 254 0C 4 -2,-0.3 2,-0.5 155,-0.2 155,-0.2 -0.985 11.3-156.5-155.2 140.6 50.3 72.8 54.4 100 114 A N E -C 253 0C 0 153,-2.6 153,-2.1 -2,-0.3 -2,-0.0 -0.955 10.4-179.3-113.1 130.5 47.7 71.5 56.8 101 115 A V + 0 0 7 -2,-0.5 150,-0.1 151,-0.2 191,-0.1 0.177 58.0 90.5-117.5 18.8 44.9 74.0 57.6 102 116 A Q + 0 0 3 151,-0.1 183,-0.4 148,-0.1 150,-0.1 0.684 48.8 120.6 -89.4 -18.3 42.9 71.9 60.1 103 117 A P - 0 0 4 0, 0.0 148,-1.6 0, 0.0 3,-0.1 -0.136 59.7-140.2 -47.6 140.1 44.5 73.0 63.4 104 118 A Y S S- 0 0 7 146,-0.2 2,-0.3 1,-0.1 3,-0.1 0.793 73.0 -24.9 -74.5 -27.4 41.9 74.6 65.7 105 119 A S S > S- 0 0 5 145,-0.2 4,-1.7 1,-0.1 146,-0.2 -0.913 80.4 -72.9-165.0-173.3 44.3 77.2 67.0 106 120 A G H > S+ 0 0 8 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.973 124.4 47.4 -61.7 -56.4 48.0 78.0 67.5 107 121 A S H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.946 110.4 51.6 -51.2 -57.1 48.6 75.7 70.5 108 122 A P H > S+ 0 0 22 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.885 108.9 53.3 -48.9 -42.2 46.9 72.7 68.9 109 123 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.955 109.7 46.0 -59.3 -52.9 49.1 73.2 65.8 110 124 A N H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 3,-0.2 0.940 111.9 52.1 -55.0 -49.0 52.3 73.2 67.7 111 125 A F H X S+ 0 0 20 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.848 105.4 54.9 -58.4 -36.3 51.3 70.2 69.7 112 126 A A H X S+ 0 0 3 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.907 107.5 50.1 -65.7 -40.0 50.5 68.3 66.5 113 127 A V H X>S+ 0 0 0 -4,-1.8 4,-2.8 -3,-0.2 5,-0.5 0.920 110.4 48.8 -64.1 -44.4 54.0 68.8 65.2 114 128 A Y H X>S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 5,-1.7 0.929 110.8 51.8 -59.7 -44.9 55.6 67.6 68.4 115 129 A T H <5S+ 0 0 11 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.779 115.9 41.2 -62.8 -26.7 53.4 64.6 68.3 116 130 A A H <5S+ 0 0 8 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.861 128.9 22.4 -90.4 -40.3 54.4 63.8 64.7 117 131 A L H <5S+ 0 0 9 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.770 130.0 36.6 -98.8 -32.2 58.1 64.5 64.7 118 132 A V T < < - 0 0 111 -5,-1.7 3,-2.2 3,-0.1 -3,-0.1 0.274 46.8 -32.8 76.5 150.1 57.1 61.4 69.9 120 134 A P T 3 S+ 0 0 42 0, 0.0 33,-0.2 0, 0.0 3,-0.1 -0.024 131.8 3.2 -40.7 128.3 56.5 60.9 73.6 121 135 A H T 3 S+ 0 0 81 31,-2.6 32,-0.2 1,-0.2 -2,-0.1 0.543 94.0 148.0 68.3 10.1 59.3 62.0 75.9 122 136 A G < - 0 0 10 -3,-2.2 32,-3.0 30,-0.3 2,-0.4 -0.313 53.3-100.7 -69.4 158.5 61.3 63.2 72.9 123 137 A R E +d 154 0C 102 57,-0.2 59,-2.7 30,-0.2 60,-1.0 -0.704 40.3 178.6 -92.1 134.2 63.5 66.2 73.5 124 138 A I E -de 155 183C 0 30,-2.2 32,-1.8 -2,-0.4 2,-0.5 -0.967 12.6-156.4-129.0 143.0 62.5 69.7 72.5 125 139 A M E +de 156 184C 1 58,-2.0 60,-3.2 -2,-0.3 2,-0.3 -0.980 22.5 160.5-124.7 124.3 64.4 73.0 72.9 126 140 A G E -d 157 0C 3 30,-0.8 32,-1.9 -2,-0.5 2,-0.2 -0.871 46.3 -76.7-136.6 170.3 62.6 76.4 73.0 127 141 A L E -d 158 0C 1 60,-0.4 7,-0.2 -2,-0.3 32,-0.2 -0.477 57.6-105.9 -68.0 131.9 63.1 80.0 74.1 128 142 A D > > - 0 0 47 30,-2.3 5,-1.3 -2,-0.2 3,-1.0 -0.284 26.2-123.6 -58.0 139.7 62.7 80.3 77.9 129 143 A L G >>5S+ 0 0 37 1,-0.3 3,-2.2 9,-0.2 4,-0.6 0.923 109.4 50.0 -53.3 -54.5 59.4 82.0 78.9 130 144 A P G 345S+ 0 0 52 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.708 108.0 57.6 -60.4 -15.8 60.8 84.9 80.9 131 145 A D G <45S- 0 0 9 -3,-1.0 -2,-0.2 27,-0.1 -3,-0.1 0.172 137.8 -80.1 -97.7 15.8 63.1 85.6 77.9 132 146 A G T <45S+ 0 0 2 -3,-2.2 57,-2.4 1,-0.2 58,-1.4 0.715 85.8 138.6 95.7 24.7 60.1 86.0 75.6 133 147 A G << - 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0 0 19 -4,-0.9 -2,-0.1 1,-0.1 -1,-0.1 0.130 34.9 -71.7 95.7 145.0 55.9 103.9 100.2 421 441 A P S S+ 0 0 127 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.686 125.1 47.6 -42.0 -26.6 58.9 102.3 98.5 422 442 A R S S+ 0 0 200 -3,-0.2 2,-0.3 -6,-0.0 0, 0.0 -0.976 72.9 124.5-126.4 121.1 57.8 98.9 100.0 423 443 A A - 0 0 15 -2,-0.5 -3,-0.1 4,-0.0 -4,-0.1 -0.892 54.9-105.0-170.7 140.2 54.2 97.7 99.7 424 444 A T > - 0 0 75 -2,-0.3 4,-1.6 1,-0.1 3,-0.2 -0.088 35.0-110.6 -64.5 170.3 52.4 94.6 98.3 425 445 A L H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.858 116.6 58.8 -71.8 -36.7 50.5 94.8 95.1 426 446 A K H > S+ 0 0 118 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.770 105.4 51.8 -64.8 -25.7 47.1 94.4 96.8 427 447 A E H > S+ 0 0 78 2,-0.2 4,-2.3 -3,-0.2 3,-0.3 0.959 106.2 53.4 -72.0 -53.0 48.0 97.6 98.7 428 448 A F H X S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.3 -2,-0.2 0.874 109.6 47.3 -47.1 -49.2 48.8 99.5 95.5 429 449 A K H X S+ 0 0 111 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.866 108.7 55.6 -65.0 -35.9 45.5 98.6 93.9 430 450 A E H X S+ 0 0 102 -4,-1.2 4,-1.6 -3,-0.3 -2,-0.2 0.923 108.9 46.6 -61.2 -45.2 43.6 99.6 97.1 431 451 A K H < S+ 0 0 76 -4,-2.3 8,-0.3 2,-0.2 -1,-0.2 0.762 110.4 54.4 -68.5 -26.9 45.2 103.1 97.0 432 452 A L H < S+ 0 0 15 -4,-1.4 3,-0.4 -5,-0.3 -2,-0.2 0.908 118.4 32.6 -73.2 -43.4 44.4 103.5 93.3 433 453 A A H < S+ 0 0 69 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.603 120.1 54.7 -88.9 -14.8 40.7 102.8 93.8 434 454 A G S < S+ 0 0 54 -4,-1.6 2,-0.3 -5,-0.2 -1,-0.2 -0.385 87.7 82.2-120.6 58.1 40.5 104.3 97.2 435 455 A D >> - 0 0 13 -3,-0.4 4,-1.8 1,-0.2 5,-0.5 -0.934 62.7-141.8-158.8 130.5 41.8 107.9 96.9 436 456 A E H >5S+ 0 0 118 -2,-0.3 4,-1.4 1,-0.2 5,-0.2 0.981 103.7 44.0 -55.7 -66.0 40.2 111.1 95.8 437 457 A K H >5S+ 0 0 133 3,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.781 122.4 41.7 -51.9 -31.9 43.2 112.6 93.9 438 458 A H H >>5S+ 0 0 7 2,-0.2 4,-2.0 -7,-0.2 3,-1.9 0.977 111.6 43.9 -84.8 -72.5 43.9 109.2 92.4 439 459 A Q H 3X5S+ 0 0 63 -4,-1.8 4,-2.1 1,-0.3 -3,-0.2 0.792 118.0 56.9 -42.8 -22.7 40.7 107.5 91.2 440 460 A R H 3X< S+ 0 0 15 -4,-1.9 3,-0.9 1,-0.2 4,-0.2 0.886 112.7 52.6 -60.9 -41.4 41.1 110.2 71.2 453 473 A A H >< S+ 0 0 1 -4,-2.4 3,-2.1 -421,-0.3 -1,-0.2 0.903 100.0 60.5 -62.8 -44.6 40.1 106.6 70.6 454 474 A A H 3< S+ 0 0 45 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.672 87.5 75.7 -60.3 -17.4 36.6 107.4 69.3 455 475 A L T << S+ 0 0 137 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.682 91.8 67.3 -68.1 -16.2 38.2 109.5 66.5 456 476 A F S < S- 0 0 30 -3,-2.1 -64,-0.1 -4,-0.2 -65,-0.1 -0.784 87.2-110.1-110.3 151.9 39.1 106.2 64.7 457 477 A P - 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.234 19.5-136.9 -71.5 163.2 36.9 103.5 63.1 458 478 A L - 0 0 44 -4,-0.1 -67,-0.1 2,-0.1 -427,-0.1 -0.925 23.3-135.1-125.3 102.3 36.5 100.0 64.6 459 479 A P + 0 0 22 0, 0.0 2,-0.3 0, 0.0 -416,-0.1 -0.006 58.2 69.0 -52.9 160.7 36.7 97.3 61.9 460 480 A G S S- 0 0 14 13,-0.9 -415,-0.3 -418,-0.1 -414,-0.1 -0.798 88.0 -6.7 125.9-170.0 34.1 94.4 61.8 461 481 A L S S- 0 0 43 56,-0.3 3,-0.3 -2,-0.3 58,-0.0 -0.362 82.7 -95.7 -61.6 140.5 30.5 93.9 61.1 462 482 A P S S- 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.730 90.3 -35.5 -19.1 -76.6 28.5 97.1 60.5 463 483 A G 0 0 61 1,-0.1 -439,-0.1 0, 0.0 -3,-0.0 -0.842 360.0 360.0-163.8 121.8 27.3 97.5 64.1 464 484 A F 0 0 54 -2,-0.3 -440,-0.2 -3,-0.3 -1,-0.1 0.988 360.0 360.0 -75.8 360.0 26.2 94.9 66.7 465 !* 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 0.0 466 15 B W 0 0 210 0, 0.0 4,-0.2 0, 0.0 -163,-0.0 0.000 360.0 360.0 360.0 -33.2 46.8 102.0 50.8 467 16 B S > + 0 0 94 1,-0.2 3,-0.6 2,-0.1 4,-0.3 0.663 360.0 59.5 -91.3 -21.8 43.8 104.3 51.4 468 17 B S T 3> S+ 0 0 53 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.542 79.3 91.1 -82.0 -9.6 41.4 101.6 50.2 469 18 B H H >> S+ 0 0 13 1,-0.3 4,-1.3 2,-0.2 3,-0.7 0.862 86.0 50.9 -53.6 -38.4 42.7 99.3 53.0 470 19 B E H <4 S+ 0 0 103 -3,-0.6 4,-0.3 1,-0.3 -1,-0.3 0.842 106.4 52.7 -69.6 -33.6 40.0 100.7 55.3 471 20 B Q H 3> S+ 0 0 141 -3,-0.4 4,-0.8 -4,-0.3 -1,-0.3 0.537 104.7 61.5 -77.6 -5.2 37.4 99.9 52.6 472 21 B M H << S+ 0 0 14 -3,-0.7 -426,-0.3 -4,-0.6 -2,-0.2 0.866 98.6 50.7 -85.4 -42.1 38.9 96.4 52.7 473 22 B L T < S+ 0 0 5 -4,-1.3 -428,-1.9 1,-0.2 -13,-0.9 0.486 119.5 39.1 -74.4 -2.5 38.1 95.7 56.4 474 23 B A T 4 S+ 0 0 50 -4,-0.3 -1,-0.2 -430,-0.2 -2,-0.2 0.585 83.9 113.9-117.8 -23.6 34.4 96.7 55.8 475 24 B Q S < S- 0 0 60 -4,-0.8 -429,-0.5 -5,-0.1 -3,-0.0 -0.294 73.6-113.3 -53.0 125.4 33.8 95.3 52.3 476 25 B P >> - 0 0 32 0, 0.0 4,-3.3 0, 0.0 3,-0.5 -0.202 24.1-110.4 -60.2 157.1 31.2 92.5 52.6 477 26 B L H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 8,-0.3 0.892 115.2 60.9 -55.9 -43.7 32.2 89.0 51.8 478 27 B K H 34 S+ 0 0 124 1,-0.2 -1,-0.2 2,-0.2 8,-0.1 0.859 118.1 28.3 -52.9 -42.1 30.2 88.9 48.6 479 28 B D H <4 S+ 0 0 103 -3,-0.5 3,-0.4 2,-0.1 -2,-0.2 0.908 122.2 52.6 -84.1 -50.1 32.2 91.7 47.1 480 29 B S H < S+ 0 0 9 -4,-3.3 2,-0.5 1,-0.2 -3,-0.2 0.954 127.5 9.1 -50.0 -66.7 35.5 91.1 49.0 481 30 B D X + 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 -0.843 62.7 170.9-125.4 96.8 36.0 87.5 48.2 482 31 B A H > S+ 0 0 62 -2,-0.5 4,-2.9 -3,-0.4 5,-0.2 0.807 75.5 63.3 -73.9 -31.0 33.7 86.0 45.5 483 32 B E H > S+ 0 0 96 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.888 110.7 38.2 -61.7 -40.1 35.5 82.7 45.1 484 33 B V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 114.3 55.5 -76.6 -40.7 34.7 81.7 48.8 485 34 B Y H X S+ 0 0 45 -4,-1.6 4,-2.2 -8,-0.3 -2,-0.2 0.931 105.6 52.8 -55.9 -47.2 31.3 83.2 48.6 486 35 B D H X S+ 0 0 86 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.888 108.9 49.8 -56.1 -43.5 30.5 81.1 45.6 487 36 B I H X S+ 0 0 10 -4,-1.2 4,-2.5 2,-0.2 5,-0.2 0.929 107.9 52.2 -63.3 -46.9 31.6 77.9 47.5 488 37 B I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.894 111.3 48.7 -57.6 -40.0 29.4 78.8 50.6 489 38 B K H X S+ 0 0 70 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.967 110.6 48.2 -65.5 -52.1 26.4 79.2 48.3 490 39 B K H X S+ 0 0 74 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.862 114.3 48.2 -56.8 -36.4 27.0 75.9 46.4 491 40 B E H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.928 108.2 53.1 -69.9 -45.7 27.4 74.1 49.8 492 41 B S H X S+ 0 0 9 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.879 111.9 47.4 -55.9 -38.6 24.2 75.7 51.2 493 42 B N H X S+ 0 0 80 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.896 108.4 53.0 -70.0 -42.6 22.3 74.5 48.2 494 43 B R H X S+ 0 0 46 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.907 107.8 52.7 -59.2 -41.7 23.8 71.0 48.4 495 44 B Q H < S+ 0 0 4 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.838 109.5 51.8 -61.3 -34.3 22.6 70.9 52.0 496 45 B R H < S+ 0 0 94 -4,-1.1 -2,-0.2 -5,-0.2 428,-0.2 0.951 110.4 40.6 -71.4 -53.8 19.1 71.8 51.0 497 46 B V H < S+ 0 0 17 -4,-2.0 424,-0.3 425,-0.1 2,-0.2 0.363 106.0 78.4 -81.8 7.7 18.3 69.3 48.2 498 47 B G S < S- 0 0 10 -4,-0.5 2,-0.7 -3,-0.3 332,-0.2 -0.713 79.1-116.6-114.4 167.8 19.8 66.3 50.0 499 48 B L E -o 830 0H 2 330,-2.9 332,-2.6 -2,-0.2 2,-1.0 -0.889 23.5-153.6-105.6 109.2 18.8 64.0 52.8 500 49 B E E +o 831 0H 8 -2,-0.7 356,-0.7 -5,-0.2 332,-0.1 -0.717 31.2 154.3 -84.9 103.0 21.1 64.2 55.8 501 50 B L + 0 0 0 330,-1.8 351,-3.0 -2,-1.0 2,-0.6 0.225 28.1 126.6-111.3 12.0 21.0 60.9 57.6 502 51 B I > - 0 0 1 349,-0.2 3,-1.5 330,-0.2 353,-0.3 -0.619 58.9-139.5 -76.0 118.5 24.4 61.2 59.2 503 52 B A T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 350,-0.1 0.680 96.3 48.3 -49.2 -28.1 24.1 60.6 63.0 504 53 B S T 3 S+ 0 0 2 204,-0.1 204,-0.3 348,-0.1 -1,-0.3 0.618 94.3 85.7 -94.7 -12.1 26.6 63.4 63.9 505 54 B E < + 0 0 7 -3,-1.5 350,-0.6 202,-0.1 2,-0.3 -0.545 45.0 153.7 -91.8 156.2 25.4 66.2 61.8 506 55 B N - 0 0 11 -449,-0.4 2,-0.5 -2,-0.2 202,-0.1 -0.941 42.4 -98.3-161.7 174.9 22.7 68.8 62.5 507 56 B F - 0 0 5 -2,-0.3 2,-0.2 347,-0.1 421,-0.1 -0.937 31.0-138.2-112.4 123.1 21.7 72.4 61.6 508 57 B A - 0 0 1 -2,-0.5 204,-0.1 419,-0.1 -451,-0.1 -0.513 27.9-106.3 -77.9 145.4 22.6 75.2 63.9 509 58 B S > - 0 0 0 202,-0.7 4,-1.7 -2,-0.2 -500,-0.2 -0.207 25.5-112.7 -65.9 160.3 20.0 77.9 64.6 510 59 B R H > S+ 0 0 68 -502,-2.1 4,-1.8 418,-0.3 -498,-0.2 0.880 115.2 55.7 -60.9 -42.4 20.4 81.4 63.0 511 60 B A H > S+ 0 0 0 -501,-0.4 4,-1.6 -504,-0.3 3,-0.2 0.925 105.9 50.6 -57.7 -48.5 21.0 83.0 66.4 512 61 B V H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.910 110.7 49.2 -57.8 -43.6 23.9 80.8 67.2 513 62 B L H X S+ 0 0 3 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.809 105.3 58.4 -67.4 -28.9 25.5 81.5 63.9 514 63 B E H < S+ 0 0 55 -4,-1.8 3,-0.2 -3,-0.2 -1,-0.2 0.864 104.2 52.1 -69.0 -34.4 25.0 85.3 64.5 515 64 B A H >< S+ 0 0 0 -4,-1.6 3,-2.4 -3,-0.2 5,-0.3 0.920 100.2 62.2 -67.6 -42.7 27.1 85.1 67.7 516 65 B L H 3< S+ 0 0 2 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.822 103.5 48.9 -52.7 -36.5 30.0 83.3 66.0 517 66 B G T 3< S+ 0 0 5 -4,-1.0 -1,-0.3 -3,-0.2 -56,-0.3 0.158 91.1 121.3 -91.7 21.9 30.6 86.3 63.7 518 67 B S S X S- 0 0 0 -3,-2.4 3,-1.4 1,-0.1 4,-0.2 -0.133 83.6-100.4 -77.6 176.4 30.5 88.7 66.6 519 68 B C G > S+ 0 0 8 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.341 107.5 91.8 -77.2 8.4 33.2 91.2 67.7 520 69 B L G > + 0 0 0 -5,-0.3 3,-0.8 1,-0.2 234,-0.3 0.681 69.9 71.6 -75.1 -17.1 33.9 88.6 70.4 521 70 B N G < S+ 0 0 8 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.834 92.8 58.3 -63.2 -34.5 36.5 87.1 67.9 522 71 B N G < S+ 0 0 10 -3,-0.6 2,-0.6 -4,-0.2 -481,-0.3 0.614 83.0 91.3 -74.9 -17.0 38.6 90.1 68.7 523 72 B K < - 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