==== 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 ISOMERASE 29-SEP-03 1R2T . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR R.APARICIO,S.T.FERREIRA,I.POLIKARPOV . 493 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19266.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 38 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 0 6 6 2 0 0 0 0 0 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 3 4 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 S 0 0 172 0, 0.0 2,-0.3 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 123.8 -2.8 7.2 -23.4 2 4 A R - 0 0 58 198,-0.2 2,-0.3 200,-0.1 200,-0.1 -0.517 360.0-112.9 -73.1 130.6 -2.3 9.9 -20.8 3 5 A K - 0 0 98 -2,-0.3 32,-0.1 198,-0.2 -1,-0.1 -0.516 36.2-108.7 -64.9 121.9 -0.1 12.8 -21.9 4 6 A F E -a 35 0A 11 30,-0.7 32,-3.1 -2,-0.3 2,-0.4 -0.235 37.7-157.5 -49.5 135.4 3.2 12.9 -19.8 5 7 A F E -ab 36 226A 0 220,-2.2 222,-1.7 30,-0.2 2,-0.5 -0.983 14.2-174.4-132.8 121.7 3.1 15.9 -17.4 6 8 A V E -ab 37 227A 0 30,-2.8 32,-2.4 -2,-0.4 2,-0.4 -0.945 6.0-175.1-122.4 112.6 6.1 17.6 -15.8 7 9 A G E -ab 38 228A 1 220,-3.0 222,-3.5 -2,-0.5 2,-0.6 -0.858 12.7-152.7-105.6 140.0 5.5 20.3 -13.2 8 10 A G E -ab 39 229A 1 30,-3.1 32,-3.4 -2,-0.4 2,-0.9 -0.930 5.7-163.2-114.7 109.3 8.3 22.4 -11.7 9 11 A N E -a 40 0A 1 220,-3.1 224,-0.2 -2,-0.6 225,-0.1 -0.790 7.6-176.1 -92.2 100.6 7.5 23.7 -8.3 10 12 A W - 0 0 1 30,-1.8 -1,-0.2 -2,-0.9 3,-0.1 0.636 21.8-168.9 -72.1 -10.9 10.0 26.5 -7.5 11 13 A K - 0 0 41 29,-0.5 2,-1.5 1,-0.2 -1,-0.2 -0.181 59.9 -22.6 49.7-146.5 8.5 26.8 -4.0 12 14 A M B S+I 318 0B 0 306,-1.8 306,-2.3 -3,-0.1 2,-0.3 -0.539 108.6 112.3 -93.8 71.2 9.7 29.9 -2.2 13 15 A N + 0 0 39 -2,-1.5 304,-0.1 304,-0.2 2,-0.0 -0.994 43.3 33.8-142.8 148.2 12.9 30.5 -4.1 14 16 A G - 0 0 5 -2,-0.3 2,-0.3 27,-0.1 220,-0.0 -0.004 47.1-129.4 102.0 158.1 14.4 32.9 -6.5 15 17 A R > - 0 0 45 316,-0.0 4,-2.5 -2,-0.0 5,-0.4 -0.812 47.1 -87.6-128.6 172.8 14.5 36.6 -7.5 16 18 A K H > S+ 0 0 55 -2,-0.3 4,-1.9 3,-0.2 5,-0.1 0.846 122.9 53.4 -51.2 -38.3 14.0 38.1 -10.9 17 19 A K H > S+ 0 0 162 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.990 116.0 31.0 -66.3 -64.3 17.6 37.7 -11.8 18 20 A N H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.829 121.5 52.5 -68.8 -29.2 18.3 34.0 -11.2 19 21 A L H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.857 107.1 53.4 -71.1 -34.5 14.7 33.1 -12.1 20 22 A G H X S+ 0 0 16 -4,-1.9 4,-1.8 -5,-0.4 -2,-0.2 0.825 110.1 48.0 -63.2 -34.6 15.2 35.0 -15.4 21 23 A E H X S+ 0 0 109 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.906 111.0 50.2 -73.4 -44.8 18.3 32.9 -16.0 22 24 A L H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 3,-0.3 0.949 111.2 49.0 -50.3 -54.5 16.4 29.8 -15.2 23 25 A I H X S+ 0 0 1 -4,-2.7 4,-3.2 1,-0.3 31,-0.2 0.874 107.4 54.7 -57.8 -42.3 13.6 30.8 -17.6 24 26 A T H X S+ 0 0 95 -4,-1.8 4,-1.4 2,-0.2 -1,-0.3 0.870 108.0 50.5 -58.5 -40.6 16.2 31.5 -20.3 25 27 A T H X S+ 0 0 60 -4,-1.9 4,-0.9 -3,-0.3 -2,-0.2 0.949 112.9 45.8 -59.7 -49.4 17.5 28.0 -19.8 26 28 A L H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.894 107.7 56.4 -64.1 -43.4 13.9 26.6 -20.1 27 29 A N H 3< S+ 0 0 46 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.868 109.6 46.2 -54.5 -39.7 13.1 28.7 -23.2 28 30 A A H 3< S+ 0 0 88 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.648 93.6 102.4 -78.8 -18.4 16.1 27.2 -25.1 29 31 A A S << S- 0 0 12 -4,-0.9 2,-0.8 -3,-0.6 -3,-0.0 -0.401 76.8-125.2 -65.5 141.3 15.2 23.7 -24.0 30 32 A K - 0 0 190 -2,-0.1 -1,-0.1 209,-0.0 -2,-0.1 -0.828 25.9-162.2 -87.9 108.5 13.5 21.4 -26.5 31 33 A V - 0 0 29 -2,-0.8 212,-0.1 -5,-0.1 208,-0.0 -0.840 22.0-118.9 -94.0 124.8 10.3 20.2 -24.9 32 34 A P > - 0 0 39 0, 0.0 3,-1.1 0, 0.0 -1,-0.0 -0.208 15.3-123.2 -61.9 154.2 8.9 17.1 -26.6 33 35 A A T 3 S+ 0 0 95 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.876 111.0 57.0 -64.7 -38.4 5.4 17.4 -28.2 34 36 A D T 3 S+ 0 0 66 2,-0.0 -30,-0.7 -31,-0.0 2,-0.5 0.443 96.4 81.1 -73.4 -2.5 4.1 14.5 -26.1 35 37 A T E < -a 4 0A 7 -3,-1.1 2,-0.6 -32,-0.1 -30,-0.2 -0.934 64.8-152.8-115.8 128.7 5.1 16.2 -22.9 36 38 A E E -a 5 0A 53 -32,-3.1 -30,-2.8 -2,-0.5 2,-0.4 -0.878 19.0-163.1 -99.7 119.3 3.1 18.9 -21.0 37 39 A V E +ac 6 57A 3 -2,-0.6 21,-2.5 19,-0.5 2,-0.4 -0.887 11.5 177.0-116.1 130.6 5.3 21.2 -19.0 38 40 A V E -ac 7 58A 2 -32,-2.4 -30,-3.1 -2,-0.4 2,-0.4 -0.995 11.8-159.6-135.5 136.0 4.3 23.6 -16.2 39 41 A C E -ac 8 59A 0 19,-2.4 21,-2.5 -2,-0.4 -30,-0.2 -0.947 4.5-157.7-117.7 132.9 6.3 25.9 -13.9 40 42 A A E -a 9 0A 3 -32,-3.4 -30,-1.8 -2,-0.4 -29,-0.5 -0.870 17.3-172.0-114.6 96.7 5.0 27.2 -10.6 41 43 A P - 0 0 0 0, 0.0 21,-0.3 0, 0.0 5,-0.1 -0.303 39.5 -76.9 -80.0 165.4 6.9 30.4 -9.5 42 44 A P > - 0 0 0 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.343 52.0-106.8 -56.2 149.2 6.6 32.2 -6.2 43 45 A T G > S+ 0 0 9 280,-0.4 3,-1.1 1,-0.3 4,-0.3 0.796 118.7 59.1 -55.4 -36.5 3.3 34.2 -6.1 44 46 A A G 3 S+ 0 0 2 1,-0.2 251,-0.3 279,-0.2 -1,-0.3 0.642 111.5 43.8 -65.0 -15.9 5.1 37.6 -6.5 45 47 A Y G <> S+ 0 0 0 -3,-2.4 4,-2.7 2,-0.1 5,-0.2 0.186 75.7 103.5-117.9 15.1 6.5 36.3 -9.8 46 48 A I H <> S+ 0 0 0 -3,-1.1 4,-1.9 2,-0.2 5,-0.1 0.943 91.6 42.6 -58.8 -45.5 3.6 34.6 -11.5 47 49 A D H > S+ 0 0 7 -4,-0.3 4,-2.1 245,-0.3 -1,-0.2 0.938 115.2 48.7 -68.3 -51.5 3.2 37.7 -13.8 48 50 A F H > S+ 0 0 16 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.928 112.4 48.2 -49.1 -56.0 7.0 38.1 -14.4 49 51 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.871 110.1 51.8 -59.1 -40.1 7.5 34.4 -15.2 50 52 A R H < S+ 0 0 48 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.870 110.7 48.4 -67.2 -37.8 4.5 34.3 -17.7 51 53 A Q H < S+ 0 0 112 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.911 118.8 38.9 -64.8 -42.5 5.9 37.3 -19.5 52 54 A K H < S+ 0 0 111 -4,-2.2 2,-0.2 -5,-0.2 -2,-0.2 0.775 99.8 86.1 -84.3 -30.3 9.4 35.8 -19.8 53 55 A L S < S- 0 0 7 -4,-2.8 -29,-0.1 -5,-0.2 6,-0.1 -0.516 83.3-111.9 -76.8 141.2 8.5 32.2 -20.5 54 56 A D > - 0 0 67 -31,-0.2 3,-2.1 -2,-0.2 -1,-0.1 -0.388 32.9-110.6 -61.7 141.3 7.9 30.9 -24.0 55 57 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.716 110.5 75.6 -49.2 -27.4 4.2 29.9 -24.6 56 58 A K T 3 S+ 0 0 80 -29,-0.1 -19,-0.5 2,-0.1 2,-0.5 0.620 91.0 63.3 -63.4 -17.3 5.1 26.2 -24.8 57 59 A I E < S-c 37 0A 0 -3,-2.1 -19,-0.2 -21,-0.1 2,-0.2 -0.948 82.2-143.3-109.2 129.1 5.5 26.2 -21.0 58 60 A A E -c 38 0A 18 -21,-2.5 -19,-2.4 -2,-0.5 2,-0.4 -0.550 11.3-129.8 -89.3 157.9 2.4 26.9 -18.9 59 61 A V E -c 39 0A 0 26,-0.3 28,-2.0 -21,-0.2 29,-1.4 -0.901 20.6-168.0-112.5 138.6 2.5 28.9 -15.6 60 62 A A E -d 88 0A 0 -21,-2.5 29,-0.3 -2,-0.4 2,-0.2 -0.960 19.8-129.6-122.0 141.2 0.9 27.8 -12.3 61 63 A A E -d 89 0A 0 27,-2.6 29,-2.5 -2,-0.4 3,-0.1 -0.585 19.0-135.2 -75.0 154.6 0.1 29.6 -9.1 62 64 A Q S S- 0 0 0 -21,-0.3 2,-0.3 -2,-0.2 31,-0.2 0.548 80.1 -13.5 -86.5 -10.6 1.4 27.7 -6.0 63 65 A N - 0 0 8 28,-0.1 2,-0.3 259,-0.1 -1,-0.2 -0.959 61.0-171.7-176.7 162.8 -1.8 28.3 -4.1 64 66 A C - 0 0 1 -2,-0.3 13,-0.2 26,-0.1 2,-0.2 -0.953 25.0-107.4-156.5 175.6 -5.1 30.4 -4.2 65 67 A Y - 0 0 16 11,-2.8 -2,-0.0 -2,-0.3 7,-0.0 -0.482 30.1-112.0-105.3-179.1 -8.1 31.1 -2.1 66 68 A K S S+ 0 0 70 -2,-0.2 2,-0.3 11,-0.1 11,-0.1 0.251 89.4 61.6-104.8 9.8 -11.7 29.9 -2.5 67 69 A V S S- 0 0 61 9,-0.1 -2,-0.2 1,-0.1 3,-0.1 -0.939 77.7-124.9-135.6 157.2 -13.5 33.1 -3.4 68 70 A T S S- 0 0 55 -2,-0.3 2,-0.3 1,-0.2 12,-0.2 0.815 89.8 -7.6 -75.3 -32.1 -13.1 35.5 -6.3 69 71 A N S S+ 0 0 59 192,-0.1 2,-0.3 7,-0.1 192,-0.2 -0.958 84.2 110.1-153.9 155.1 -12.5 38.7 -4.3 70 72 A G B -J 260 0C 16 190,-2.7 2,-2.4 -2,-0.3 190,-1.9 -0.950 68.3 -44.6 159.8-176.0 -12.8 39.5 -0.6 71 73 A A S S+ 0 0 47 -2,-0.3 2,-0.2 188,-0.2 188,-0.1 -0.408 78.4 121.7 -82.1 64.7 -11.4 40.5 2.8 72 74 A F > - 0 0 48 -2,-2.4 3,-2.5 3,-0.1 -1,-0.1 -0.600 49.4-157.3-129.9 70.9 -8.5 38.0 2.8 73 75 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.207 81.1 22.1 -48.2 127.7 -5.3 40.1 3.2 74 76 A G T 3 S+ 0 0 15 1,-0.3 -1,-0.3 215,-0.1 2,-0.2 0.309 103.0 104.6 93.0 -7.3 -2.4 38.0 1.8 75 77 A E < - 0 0 10 -3,-2.5 216,-0.3 235,-0.1 2,-0.3 -0.580 52.2-151.0-100.9 164.7 -4.4 35.7 -0.5 76 78 A I - 0 0 7 -2,-0.2 -11,-2.8 214,-0.1 -9,-0.1 -0.953 12.4-136.1-130.2 156.8 -5.0 35.6 -4.3 77 79 A S > - 0 0 0 -2,-0.3 4,-1.7 -13,-0.2 3,-0.4 -0.684 26.3-112.8-106.4 157.3 -8.0 34.3 -6.3 78 80 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.850 118.1 62.5 -52.2 -35.6 -8.1 32.1 -9.5 79 81 A G H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.915 104.9 45.0 -56.6 -43.6 -9.4 35.2 -11.3 80 82 A M H > S+ 0 0 0 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.867 111.5 52.8 -67.9 -38.4 -6.1 37.0 -10.5 81 83 A I H <>S+ 0 0 0 -4,-1.7 5,-1.7 2,-0.2 3,-0.2 0.927 112.3 44.6 -60.7 -47.2 -4.1 34.0 -11.6 82 84 A K H ><5S+ 0 0 99 -4,-2.7 3,-2.3 1,-0.2 -2,-0.2 0.902 108.8 56.9 -60.8 -46.8 -6.0 33.8 -14.9 83 85 A D H 3<5S+ 0 0 59 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.802 103.6 54.8 -58.9 -30.7 -5.6 37.6 -15.3 84 86 A C T 3<5S- 0 0 5 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.330 122.8-107.1 -83.0 2.4 -1.8 37.1 -15.0 85 87 A G T < 5S+ 0 0 34 -3,-2.3 -26,-0.3 1,-0.3 2,-0.2 0.424 75.9 135.5 87.4 -2.4 -1.8 34.6 -17.9 86 88 A A < - 0 0 2 -5,-1.7 -1,-0.3 -6,-0.2 -26,-0.2 -0.546 36.3-167.4 -75.5 145.8 -1.3 31.5 -15.7 87 89 A T + 0 0 69 -28,-2.0 33,-2.7 -2,-0.2 2,-0.3 0.385 61.6 51.2-117.6 2.6 -3.5 28.5 -16.5 88 90 A W E -de 60 120A 17 -29,-1.4 -27,-2.6 31,-0.2 2,-0.3 -0.926 53.8-161.4-135.7 159.1 -2.9 26.3 -13.4 89 91 A V E -de 61 121A 0 31,-1.5 33,-2.5 -2,-0.3 2,-0.5 -0.991 18.9-135.3-139.1 138.1 -2.9 26.3 -9.6 90 92 A V E - e 0 122A 1 -29,-2.5 2,-0.4 -2,-0.3 33,-0.2 -0.804 30.6-176.0 -86.7 128.4 -1.3 23.8 -7.2 91 93 A L E + e 0 123A 0 31,-3.0 33,-3.0 -2,-0.5 -28,-0.1 -0.982 56.0 16.1-130.0 140.8 -3.7 22.9 -4.4 92 94 A G S S+ 0 0 0 -2,-0.4 5,-0.1 1,-0.2 -1,-0.1 0.615 73.1 174.4 79.8 13.3 -3.2 20.8 -1.3 93 95 A H >> - 0 0 6 -31,-0.2 4,-2.0 29,-0.1 3,-0.9 -0.236 43.4-114.7 -50.7 140.4 0.6 20.8 -1.5 94 96 A S H 3> S+ 0 0 10 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.800 116.6 56.6 -53.0 -36.3 2.0 19.0 1.6 95 97 A E H 3>>S+ 0 0 22 2,-0.2 4,-2.2 3,-0.2 5,-1.4 0.904 108.4 47.6 -63.0 -39.3 3.6 22.3 2.8 96 98 A R H <45S+ 0 0 8 -3,-0.9 6,-2.2 3,-0.2 4,-0.3 0.914 118.8 40.7 -64.4 -44.2 0.2 24.0 2.8 97 99 A R H <5S+ 0 0 20 -4,-2.0 4,-0.3 4,-0.2 -2,-0.2 0.899 127.3 30.2 -68.4 -44.7 -1.4 21.0 4.6 98 100 A H H <5S+ 0 0 74 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.697 129.9 29.4-102.8 -20.4 1.4 20.4 7.1 99 101 A V T <5S+ 0 0 72 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.753 132.1 33.0 -98.3 -36.3 3.1 23.7 7.7 100 102 A F S - 0 0 62 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.383 17.7-112.4 -76.9 159.7 -7.7 21.3 5.9 104 106 A D H > S+ 0 0 43 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.877 119.0 54.4 -49.9 -46.0 -9.2 18.8 3.4 105 107 A E H > S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.935 108.9 47.8 -59.6 -44.9 -12.4 20.8 3.3 106 108 A L H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.916 112.4 49.0 -60.9 -45.3 -10.6 24.0 2.5 107 109 A I H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.922 110.7 51.4 -63.1 -44.4 -8.6 22.3 -0.2 108 110 A G H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.916 110.2 48.0 -54.4 -50.9 -11.8 20.9 -1.6 109 111 A Q H X S+ 0 0 67 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.886 111.8 50.6 -61.5 -39.5 -13.5 24.3 -1.7 110 112 A K H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.893 109.2 51.8 -61.1 -43.3 -10.4 25.8 -3.4 111 113 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.946 110.2 47.7 -60.2 -50.8 -10.5 23.1 -6.0 112 114 A A H X S+ 0 0 34 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.880 115.1 46.4 -58.3 -39.1 -14.1 23.6 -6.8 113 115 A H H X S+ 0 0 30 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.882 111.8 49.2 -76.3 -36.6 -13.6 27.4 -7.1 114 116 A A H <>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 3,-0.4 0.923 114.2 46.4 -66.2 -44.4 -10.4 27.2 -9.2 115 117 A L H ><5S+ 0 0 37 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.886 109.1 54.0 -64.4 -38.5 -12.2 24.8 -11.6 116 118 A S H 3<5S+ 0 0 84 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.735 106.5 55.8 -68.2 -18.9 -15.3 27.0 -11.8 117 119 A E T 3<5S- 0 0 56 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.348 122.1-102.9 -95.6 3.7 -13.0 29.8 -12.8 118 120 A G T < 5S+ 0 0 40 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.570 77.8 130.3 88.0 11.2 -11.5 28.1 -15.8 119 121 A L < - 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0 0 43 -5,-1.5 4,-1.7 1,-0.1 -1,-0.2 -0.960 28.7-110.0-170.2 162.2 11.7 53.8 25.6 444 198 B D H > S+ 0 0 78 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.883 117.1 55.7 -65.0 -40.9 10.4 57.3 25.7 445 199 B A H > S+ 0 0 68 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.870 109.3 45.7 -62.4 -39.0 12.1 58.1 22.3 446 200 B V H > S+ 0 0 21 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.849 110.8 54.3 -73.5 -36.2 10.2 55.2 20.7 447 201 B A H < S+ 0 0 0 -4,-1.7 -2,-0.2 -9,-0.2 -1,-0.2 0.909 112.6 42.8 -60.2 -43.4 6.9 56.2 22.3 448 202 B Q H < S+ 0 0 85 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.827 121.7 38.4 -75.7 -28.4 7.2 59.8 20.9 449 203 B S H < S+ 0 0 55 -4,-1.4 2,-0.5 -5,-0.2 -1,-0.2 0.567 88.4 99.2-102.2 -14.8 8.4 58.8 17.4 450 204 B T < - 0 0 3 -4,-1.6 2,-0.3 -5,-0.1 -43,-0.1 -0.681 68.3-131.1 -85.9 121.3 6.4 55.6 16.5 451 205 B R - 0 0 27 -2,-0.5 -43,-2.6 -45,-0.5 2,-0.6 -0.499 18.0-166.6 -66.7 127.8 3.3 56.1 14.3 452 206 B I E -q 408 0D 0 -2,-0.3 21,-2.4 19,-0.2 22,-0.3 -0.965 15.4-164.6-113.9 109.1 0.3 54.3 15.6 453 207 B I E -q 409 0D 0 -45,-3.4 -43,-2.9 -2,-0.6 2,-0.5 -0.672 19.5-116.2-101.3 153.4 -2.3 54.2 12.9 454 208 B Y E -qr 410 475D 5 20,-3.2 22,-2.3 -2,-0.3 -43,-0.2 -0.742 25.2-179.0 -92.1 125.5 -6.0 53.5 13.0 455 209 B G + 0 0 17 -45,-3.2 -44,-0.2 -2,-0.5 -1,-0.1 0.275 48.3 100.9-109.5 9.0 -7.2 50.4 11.2 456 210 B G S S- 0 0 8 -46,-0.4 22,-0.2 1,-0.2 2,-0.2 -0.145 91.0 -48.9 -83.4-174.5 -10.9 50.5 11.8 457 211 B S + 0 0 88 -45,-0.2 2,-0.4 -42,-0.1 -1,-0.2 -0.369 63.4 177.8 -63.8 124.6 -13.6 51.7 9.5 458 212 B V + 0 0 9 -2,-0.2 22,-0.2 -3,-0.1 2,-0.2 -0.998 2.8 169.2-136.0 128.3 -12.7 55.1 8.0 459 213 B T > - 0 0 49 -2,-0.4 4,-1.5 29,-0.1 5,-0.1 -0.624 48.7 -87.0-115.9-154.6 -14.7 57.1 5.4 460 214 B G T 4 S+ 0 0 33 1,-0.2 4,-0.2 -2,-0.2 -1,-0.0 0.828 125.1 40.5 -93.4 -24.5 -15.0 60.3 3.8 461 215 B A T 4 S+ 0 0 91 1,-0.1 3,-0.3 2,-0.1 4,-0.3 0.901 119.9 37.2 -92.5 -40.1 -17.0 61.6 6.3 462 216 B T T > S+ 0 0 46 1,-0.2 4,-1.5 2,-0.1 3,-0.3 0.641 88.3 87.6 -98.4 -16.1 -15.4 60.3 9.5 463 217 B C H X S+ 0 0 2 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.754 82.7 62.8 -53.8 -28.7 -11.6 60.4 8.8 464 218 B K H > S+ 0 0 90 -3,-0.3 4,-1.1 -4,-0.2 -1,-0.2 0.947 104.4 41.1 -69.4 -52.4 -11.4 64.0 10.0 465 219 B E H 4 S+ 0 0 101 -3,-0.3 4,-0.3 -4,-0.3 3,-0.2 0.881 117.5 51.7 -60.7 -40.0 -12.4 63.7 13.7 466 220 B L H >< S+ 0 0 3 -4,-1.5 3,-1.4 1,-0.2 -2,-0.2 0.929 108.3 49.4 -60.8 -47.3 -10.3 60.5 13.8 467 221 B A H 3< S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.696 102.6 63.8 -67.8 -21.9 -7.2 62.1 12.4 468 222 B S T 3< S+ 0 0 94 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.562 76.1 111.9 -77.5 -12.3 -7.5 65.0 14.9 469 223 B Q S X S- 0 0 34 -3,-1.4 3,-1.5 -4,-0.3 -44,-0.0 -0.466 74.1-128.2 -71.3 133.1 -6.9 62.6 17.8 470 224 B P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.798 105.7 36.9 -50.6 -37.4 -3.6 63.3 19.6 471 225 B D T 3 S+ 0 0 23 -20,-0.0 2,-0.6 2,-0.0 -19,-0.2 0.409 93.9 94.2-104.4 3.1 -2.4 59.6 19.4 472 226 B V < + 0 0 1 -3,-1.5 -19,-0.2 -6,-0.2 3,-0.1 -0.865 45.9 178.6 -96.0 118.4 -3.8 58.7 16.0 473 227 B D - 0 0 5 -21,-2.4 -220,-2.3 -2,-0.6 2,-0.3 0.164 57.6 -59.2-106.6 14.3 -1.1 59.2 13.4 474 228 B G E -l 253 0D 0 -22,-0.3 -20,-3.2 -222,-0.2 2,-0.3 -0.969 62.4 -71.0 139.0-156.6 -3.0 58.0 10.3 475 229 B F E -lr 254 454D 0 -222,-1.9 -220,-3.0 -2,-0.3 2,-0.6 -0.952 3.9-147.3-145.3 147.2 -4.9 55.0 8.9 476 230 B L E -l 255 0D 7 -22,-2.3 2,-0.4 -2,-0.3 -220,-0.2 -0.964 41.3-151.2-112.3 105.8 -4.7 51.6 7.5 477 231 B V E -l 256 0D 1 -222,-3.9 -220,-3.5 -2,-0.6 -20,-0.1 -0.662 16.9-173.6 -88.6 131.1 -7.6 51.8 5.1 478 232 B G S > S- 0 0 21 -2,-0.4 3,-1.6 -22,-0.2 4,-0.2 0.686 70.4 -6.3 -81.8-113.9 -9.6 48.7 4.2 479 233 B G G > S+ 0 0 47 1,-0.3 3,-1.7 2,-0.2 4,-0.1 0.773 125.7 64.1 -62.6 -36.8 -12.3 48.9 1.5 480 234 B A G > S+ 0 0 12 1,-0.3 3,-2.1 -22,-0.2 6,-0.5 0.741 86.1 78.0 -57.0 -22.8 -12.3 52.6 1.0 481 235 B S G < S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.741 88.2 56.3 -62.6 -21.3 -8.7 52.2 -0.3 482 236 B L G < S+ 0 0 53 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.364 104.2 69.1 -87.0 4.4 -10.1 50.9 -3.7 483 237 B K S X S- 0 0 110 -3,-2.1 3,-2.3 -4,-0.1 4,-0.3 -0.800 93.5-103.3-127.4 159.8 -12.1 54.1 -4.2 484 238 B P T >> S+ 0 0 97 0, 0.0 3,-2.2 0, 0.0 4,-0.6 0.816 112.8 72.3 -46.1 -36.5 -11.7 57.8 -4.9 485 239 B E H 3> S+ 0 0 48 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.643 77.6 76.1 -61.9 -14.5 -12.4 58.5 -1.3 486 240 B F H <> S+ 0 0 0 -3,-2.3 4,-2.1 -6,-0.5 -1,-0.3 0.851 91.6 57.0 -59.0 -33.4 -8.9 57.1 -0.4 487 241 B V H <> S+ 0 0 28 -3,-2.2 4,-1.2 -4,-0.3 -1,-0.2 0.888 102.4 52.5 -66.3 -39.2 -7.7 60.5 -1.7 488 242 B D H < S+ 0 0 96 -4,-0.6 3,-0.3 1,-0.2 -1,-0.2 0.899 109.9 49.9 -59.5 -39.2 -9.9 62.3 0.8 489 243 B I H >< S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.854 102.6 58.8 -70.5 -36.1 -8.3 60.1 3.5 490 244 B I H 3< S+ 0 0 1 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.846 110.9 45.1 -53.8 -35.2 -4.8 61.0 2.2 491 245 B N T >< S+ 0 0 62 -4,-1.2 3,-0.6 -3,-0.3 -1,-0.2 0.145 76.8 123.1 -94.3 15.1 -5.8 64.6 3.0 492 246 B A T < + 0 0 2 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.722 60.9 65.2 -55.8 -27.9 -7.3 64.0 6.4 493 247 B K T 3 0 0 101 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.934 360.0 360.0 -65.1 -51.1 -5.1 66.4 8.4 494 248 B Q < 0 0 203 -3,-0.6 -3,-0.0 0, 0.0 0, 0.0 -0.365 360.0 360.0 -69.0 360.0 -6.3 69.8 6.8