==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-MAR-01 1I9C . COMPND 2 MOLECULE: GLUTAMATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM COCHLEARIUM; . AUTHOR K.GRUBER,C.KRATKY . 1242 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 898 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 115 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 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 0.2 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 . 72 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 509 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 3.1 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 0 0 2 0 4 5 9 2 2 2 2 0 4 4 0 2 2 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 5 7 2 2 4 2 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 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 1 A M 0 0 81 0, 0.0 136,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 139.1 15.2 -10.1 47.3 2 2 A E - 0 0 145 134,-0.2 2,-0.1 1,-0.1 134,-0.0 -0.297 360.0-100.6 -54.0 133.7 16.4 -13.8 47.1 3 3 A K + 0 0 155 29,-0.1 2,-0.3 -2,-0.0 29,-0.2 -0.478 48.3 166.9 -71.8 139.7 14.7 -16.0 49.6 4 4 A K - 0 0 56 27,-0.3 29,-3.7 -2,-0.1 2,-0.4 -0.897 29.1-117.6-139.9 159.8 16.5 -17.0 52.9 5 5 A T E +a 33 0A 20 -2,-0.3 51,-2.6 49,-0.2 52,-1.2 -0.841 25.9 178.8-108.4 135.5 15.3 -18.6 56.2 6 6 A I E -ab 34 57A 0 27,-2.5 29,-3.7 -2,-0.4 2,-0.4 -0.979 24.2-134.8-128.7 149.9 15.4 -17.1 59.7 7 7 A V E -ab 35 58A 0 50,-2.3 52,-3.0 -2,-0.4 2,-0.4 -0.887 26.7-167.3 -94.4 134.2 14.3 -18.5 63.0 8 8 A L E +ab 36 59A 2 27,-3.2 29,-2.8 -2,-0.4 30,-0.8 -0.990 20.6 132.2-128.9 133.1 12.4 -15.9 65.1 9 9 A G E -ab 38 60A 0 50,-1.5 52,-2.9 -2,-0.4 2,-0.4 -0.979 51.0-110.9-163.5 173.8 11.5 -16.2 68.7 10 10 A V E - b 0 61A 0 28,-2.1 31,-2.6 -2,-0.3 52,-0.2 -0.987 45.3-131.4-119.6 125.8 11.3 -14.6 72.2 11 11 A I E > -a 41 0A 1 50,-1.7 3,-1.0 -2,-0.4 29,-0.2 -0.422 50.7 -12.9 -92.7 149.5 13.8 -16.2 74.6 12 12 A G T 3 S- 0 0 17 29,-2.2 -2,-0.1 1,-0.2 55,-0.0 -0.395 119.2 -20.0 78.0-136.3 13.5 -17.5 78.2 13 13 A S T 3 S+ 0 0 12 -2,-0.1 2,-0.4 27,-0.1 -1,-0.2 0.093 97.8 127.6 -98.1 23.9 10.5 -16.8 80.4 14 14 A D < - 0 0 0 -3,-1.0 26,-2.1 27,-0.1 27,-0.2 -0.642 35.3-177.4 -86.8 126.4 9.5 -13.8 78.3 15 15 A C + 0 0 21 -2,-0.4 2,-0.2 24,-0.2 24,-0.1 0.370 33.4 133.4-107.5 6.3 5.8 -13.8 77.1 16 16 A H + 0 0 99 1,-0.2 24,-0.1 303,-0.1 47,-0.1 -0.449 22.6 166.9 -65.1 130.2 5.8 -10.6 75.1 17 17 A A > + 0 0 11 -2,-0.2 4,-1.8 529,-0.1 5,-0.2 0.552 50.6 75.6-120.8 -21.7 4.1 -11.4 71.8 18 18 A V H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.941 97.7 48.9 -71.2 -41.3 3.2 -8.3 69.8 19 19 A G H > S+ 0 0 36 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.890 108.9 56.2 -61.2 -34.0 6.7 -7.4 68.6 20 20 A N H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 106.4 48.7 -62.3 -47.5 7.0 -11.0 67.5 21 21 A K H X S+ 0 0 104 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.924 114.7 45.6 -58.7 -45.0 3.9 -10.8 65.3 22 22 A I H X S+ 0 0 15 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.917 111.7 50.2 -69.8 -39.2 5.1 -7.6 63.7 23 23 A L H X S+ 0 0 37 -4,-2.9 4,-2.8 -5,-0.2 5,-0.3 0.932 110.8 50.4 -63.5 -42.7 8.6 -8.9 63.1 24 24 A D H X S+ 0 0 42 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.979 113.1 46.6 -56.0 -58.1 7.2 -12.0 61.5 25 25 A H H X S+ 0 0 59 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.936 115.7 43.7 -46.7 -56.2 5.0 -9.9 59.3 26 26 A A H X S+ 0 0 12 -4,-2.9 4,-1.1 2,-0.2 -1,-0.2 0.913 116.5 45.5 -67.5 -41.4 7.7 -7.4 58.2 27 27 A F H <>S+ 0 0 2 -4,-2.8 5,-2.1 -5,-0.2 4,-0.2 0.887 115.1 48.5 -69.3 -37.2 10.4 -10.0 57.6 28 28 A T H ><5S+ 0 0 65 -4,-2.9 3,-1.8 -5,-0.3 -2,-0.2 0.928 109.3 52.9 -63.8 -43.5 8.0 -12.2 55.7 29 29 A N H 3<5S+ 0 0 118 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.795 103.5 58.2 -64.6 -23.2 6.9 -9.2 53.7 30 30 A A T 3<5S- 0 0 25 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.449 127.7 -95.0 -87.4 -1.3 10.6 -8.6 52.8 31 31 A G T < 5S+ 0 0 31 -3,-1.8 -27,-0.3 1,-0.3 -3,-0.2 0.326 79.5 133.5 105.8 2.8 10.9 -12.0 51.3 32 32 A F < - 0 0 7 -5,-2.1 2,-0.9 -29,-0.2 -1,-0.3 -0.500 59.3-124.2 -77.7 151.1 12.3 -14.1 54.1 33 33 A N E -a 5 0A 65 -29,-3.7 -27,-2.5 -2,-0.2 2,-0.7 -0.824 34.3-155.0 -86.2 103.5 11.1 -17.5 55.2 34 34 A V E -a 6 0A 18 -2,-0.9 2,-1.0 -29,-0.2 -27,-0.2 -0.740 12.8-163.3 -93.5 116.2 10.3 -16.8 58.9 35 35 A V E -a 7 0A 30 -29,-3.7 -27,-3.2 -2,-0.7 2,-0.8 -0.834 17.0-164.4 -93.6 97.4 10.4 -19.8 61.2 36 36 A N E +a 8 0A 46 -2,-1.0 -27,-0.2 -29,-0.2 -29,-0.1 -0.788 22.6 173.1 -97.2 107.5 8.6 -18.4 64.2 37 37 A I E - 0 0 35 -29,-2.8 -28,-0.2 -2,-0.8 -1,-0.1 0.457 37.3-152.5 -92.1 -2.3 9.0 -20.4 67.4 38 38 A G E -a 9 0A 13 -30,-0.8 -28,-2.1 -18,-0.1 3,-0.3 -0.096 31.2 -15.5 72.4-163.3 7.2 -17.8 69.4 39 39 A V E S+ 0 0 6 -30,-0.2 -24,-0.2 1,-0.2 -28,-0.1 -0.173 110.9 28.5 -80.8 167.4 7.3 -16.8 73.0 40 40 A L E S+ 0 0 27 -26,-2.1 -29,-0.2 -29,-0.2 -1,-0.2 0.860 79.4 162.6 56.6 43.6 8.8 -18.4 76.1 41 41 A S E -a 11 0A 1 -31,-2.6 -29,-2.2 -3,-0.3 -1,-0.2 -0.850 31.1-145.0-100.5 120.4 11.4 -20.2 74.0 42 42 A P >> - 0 0 58 0, 0.0 3,-1.6 0, 0.0 4,-0.9 -0.363 36.9 -98.9 -69.5 162.8 14.6 -21.7 75.6 43 43 A Q H >> S+ 0 0 18 1,-0.3 4,-1.9 2,-0.2 3,-1.2 0.911 120.8 63.2 -44.2 -48.4 17.9 -21.7 73.6 44 44 A E H 3> S+ 0 0 105 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.750 97.4 55.7 -56.0 -27.6 17.4 -25.3 72.5 45 45 A N H <> S+ 0 0 70 -3,-1.6 4,-1.6 2,-0.2 -1,-0.3 0.850 106.8 49.1 -76.9 -32.0 14.2 -24.4 70.6 46 46 A F H S+ 0 0 1 -4,-2.1 5,-2.1 2,-0.2 4,-0.8 0.920 113.8 42.8 -59.6 -45.4 17.6 -23.6 62.8 51 51 A I H ><5S+ 0 0 84 -4,-2.2 3,-0.6 2,-0.2 -2,-0.2 0.934 113.3 49.9 -68.6 -49.3 18.7 -27.2 62.1 52 52 A E H 3<5S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.891 123.9 32.1 -57.8 -34.6 15.4 -28.6 61.0 53 53 A T H 3<5S- 0 0 48 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.403 103.1-124.6-108.0 3.7 15.0 -25.6 58.6 54 54 A K T <<5 - 0 0 182 -4,-0.8 -49,-0.2 -3,-0.6 -3,-0.2 0.884 41.1-158.0 53.7 44.5 18.6 -25.0 57.7 55 55 A A < - 0 0 13 -5,-2.1 -49,-0.2 -6,-0.2 -1,-0.1 -0.151 24.9-152.4 -57.9 144.6 18.3 -21.4 58.8 56 56 A D S S+ 0 0 50 -51,-2.6 31,-1.3 1,-0.3 2,-0.3 0.662 80.3 8.3 -85.4 -25.2 20.6 -18.6 57.6 57 57 A A E -bc 6 87A 0 -52,-1.2 -50,-2.3 29,-0.2 2,-0.5 -0.997 59.3-139.6-158.2 156.1 20.1 -16.6 60.7 58 58 A I E -bc 7 88A 0 29,-2.5 31,-2.8 -2,-0.3 2,-0.7 -0.973 14.6-162.3-120.2 118.0 18.6 -16.6 64.2 59 59 A L E -bc 8 89A 15 -52,-3.0 -50,-1.5 -2,-0.5 2,-0.6 -0.890 7.9-163.9-105.2 111.5 16.8 -13.5 65.4 60 60 A V E -bc 9 90A 3 29,-2.9 31,-1.9 -2,-0.7 2,-0.4 -0.838 1.9-162.7 -94.6 113.6 16.5 -13.6 69.2 61 61 A S E +bc 10 91A 8 -52,-2.9 -50,-1.7 -2,-0.6 2,-0.4 -0.832 10.4 177.8 -95.0 137.3 13.9 -11.1 70.5 62 62 A S E + c 0 92A 0 29,-2.7 31,-2.6 -2,-0.4 33,-0.1 -0.915 14.1 155.4-139.6 112.0 14.1 -10.3 74.3 63 63 A L + 0 0 40 -2,-0.4 -1,-0.1 29,-0.2 32,-0.1 0.784 60.4 69.5-102.9 -30.2 11.8 -7.7 75.7 64 64 A Y S S- 0 0 17 1,-0.1 171,-0.1 30,-0.1 30,-0.1 0.498 99.3-115.1 -82.8 -5.7 11.5 -8.5 79.4 65 65 A G S > S+ 0 0 5 28,-0.7 3,-0.7 31,-0.1 31,-0.3 -0.001 95.3 92.0 101.4 -22.8 15.0 -7.5 80.5 66 66 A Q T >> + 0 0 0 1,-0.2 4,-2.5 29,-0.2 3,-1.4 0.370 53.5 100.6 -86.6 6.7 16.3 -10.9 81.6 67 67 A G H 3> + 0 0 0 26,-0.3 4,-2.6 1,-0.3 5,-0.2 0.731 67.7 71.3 -63.2 -17.3 17.8 -11.6 78.2 68 68 A E H <4 S+ 0 0 26 -3,-0.7 4,-0.3 26,-0.4 -1,-0.3 0.881 111.0 32.7 -64.8 -34.8 21.2 -10.6 79.6 69 69 A I H X4 S+ 0 0 22 -3,-1.4 3,-0.8 190,-0.2 -2,-0.2 0.887 121.7 48.0 -79.3 -48.2 21.0 -13.9 81.5 70 70 A D H 3< S+ 0 0 14 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.771 106.9 56.3 -70.2 -24.0 19.0 -15.9 79.0 71 71 A C T >< S+ 0 0 0 -4,-2.6 3,-1.3 -5,-0.2 -1,-0.2 0.675 78.8 108.0 -85.4 -19.1 21.2 -15.0 76.0 72 72 A K T < S+ 0 0 156 -3,-0.8 40,-0.1 -4,-0.3 36,-0.0 -0.383 82.8 17.0 -60.5 129.5 24.5 -16.2 77.5 73 73 A G T 3> S+ 0 0 17 38,-0.4 4,-2.1 -2,-0.1 5,-0.2 0.199 81.7 115.3 101.6 -15.4 25.7 -19.4 75.8 74 74 A L H <> S+ 0 0 0 -3,-1.3 4,-2.4 1,-0.2 5,-0.2 0.915 76.6 54.6 -59.3 -46.1 23.7 -19.6 72.5 75 75 A R H > S+ 0 0 40 36,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.923 109.1 49.4 -54.1 -43.6 26.8 -19.2 70.3 76 76 A Q H > S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.936 111.4 47.4 -62.7 -44.2 28.4 -22.1 72.0 77 77 A K H X S+ 0 0 68 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.892 111.2 52.8 -67.1 -29.2 25.4 -24.4 71.7 78 78 A C H <>S+ 0 0 0 -4,-2.4 5,-3.2 -5,-0.2 4,-0.4 0.935 110.2 47.0 -71.2 -42.5 25.1 -23.3 68.0 79 79 A D H ><5S+ 0 0 62 -4,-2.6 3,-1.7 1,-0.2 5,-0.3 0.941 112.7 48.8 -61.8 -45.1 28.7 -24.3 67.4 80 80 A E H 3<5S+ 0 0 142 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.818 108.9 55.8 -63.9 -28.6 28.2 -27.6 69.2 81 81 A A T 3<5S- 0 0 39 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.505 123.9-104.3 -80.0 -7.3 25.1 -28.1 67.1 82 82 A G T < 5S+ 0 0 49 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.671 87.3 122.4 88.9 20.0 27.1 -27.7 63.9 83 83 A L > < + 0 0 26 -5,-3.2 3,-2.1 -6,-0.2 -4,-0.2 -0.203 35.0 166.1-104.5 35.8 25.8 -24.2 63.2 84 84 A E T 3 + 0 0 129 -5,-0.3 -8,-0.0 1,-0.3 -9,-0.0 -0.405 67.0 11.6 -61.8 140.2 29.2 -22.5 63.1 85 85 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.3 -10,-0.1 3,-0.1 0.241 85.6 151.7 71.9 1.9 29.1 -19.0 61.6 86 86 A I < - 0 0 15 -3,-2.1 -1,-0.3 1,-0.1 2,-0.2 -0.322 54.4-105.1 -57.2 141.0 25.3 -18.7 61.7 87 87 A L E -c 57 0A 28 -31,-1.3 -29,-2.5 26,-0.1 2,-0.5 -0.536 36.6-166.4 -68.3 131.1 24.1 -15.1 62.1 88 88 A L E -c 58 0A 0 -2,-0.2 26,-2.1 -31,-0.2 27,-1.5 -0.986 7.5-179.4-125.7 114.6 22.9 -14.4 65.6 89 89 A Y E -cd 59 115A 4 -31,-2.8 -29,-2.9 -2,-0.5 2,-0.4 -0.900 6.0-169.6-113.9 148.9 20.9 -11.2 66.2 90 90 A V E +cd 60 116A 0 25,-2.0 27,-2.9 -2,-0.3 2,-0.3 -1.000 18.5 148.2-141.2 133.4 19.5 -9.9 69.4 91 91 A G E +c 61 0A 14 -31,-1.9 -29,-2.7 -2,-0.4 2,-0.5 -0.946 23.4 69.3-157.3 173.7 17.1 -7.1 69.9 92 92 A G E S-c 62 0A 17 26,-0.4 2,-0.3 -2,-0.3 -29,-0.2 -0.977 107.0 -27.4 119.4-124.7 14.3 -5.6 71.9 93 93 A N S S+ 0 0 35 -31,-2.6 -28,-0.7 -2,-0.5 -26,-0.3 -0.756 75.1 171.8-129.1 77.7 14.8 -4.4 75.5 94 94 A I + 0 0 4 23,-0.3 -26,-0.4 -2,-0.3 2,-0.3 0.543 51.6 42.6 -83.8 -18.2 17.6 -6.7 76.2 95 95 A V S S- 0 0 11 2,-0.2 2,-0.8 -28,-0.2 -29,-0.2 -0.799 93.3 -91.8-118.6 165.1 18.8 -5.5 79.6 96 96 A V S S- 0 0 21 -31,-0.3 375,-0.1 -2,-0.3 -31,-0.1 -0.720 87.6 -20.0 -77.6 109.4 17.1 -4.4 82.8 97 97 A G S S- 0 0 8 -2,-0.8 2,-0.3 373,-0.1 -2,-0.2 0.008 100.3 -36.0 88.5 173.1 16.7 -0.7 82.6 98 98 A K + 0 0 117 374,-0.5 2,-0.3 373,-0.2 373,-0.1 -0.541 69.6 169.4 -64.7 123.1 18.1 2.3 80.8 99 99 A Q - 0 0 49 -2,-0.3 2,-0.5 -4,-0.1 -2,-0.1 -0.959 47.4 -83.3-136.1 157.4 21.8 1.7 80.3 100 100 A H >> - 0 0 121 -2,-0.3 4,-1.3 1,-0.2 3,-1.2 -0.513 44.6-143.5 -61.1 111.0 24.7 3.2 78.4 101 101 A W H 3> S+ 0 0 67 -2,-0.5 4,-2.7 1,-0.3 5,-0.2 0.804 92.7 57.7 -60.2 -43.1 24.1 1.6 75.0 102 102 A P H 3> S+ 0 0 70 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.845 107.2 52.1 -52.9 -35.5 27.8 1.1 73.9 103 103 A D H <> S+ 0 0 92 -3,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.910 110.8 46.6 -64.2 -42.9 28.3 -0.9 77.1 104 104 A V H X S+ 0 0 1 -4,-1.3 4,-2.1 2,-0.2 5,-0.3 0.892 109.2 53.3 -68.5 -41.2 25.3 -3.1 76.3 105 105 A E H X S+ 0 0 62 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.948 110.4 47.5 -61.5 -40.9 26.3 -3.7 72.7 106 106 A K H X S+ 0 0 131 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.888 108.0 56.6 -67.8 -39.4 29.8 -4.9 73.8 107 107 A R H X S+ 0 0 65 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.920 114.1 38.3 -54.9 -48.0 28.3 -7.2 76.5 108 108 A F H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 -2,-0.2 0.863 114.5 52.0 -80.8 -33.2 26.2 -9.0 73.9 109 109 A K H ><5S+ 0 0 103 -4,-2.6 3,-1.6 -5,-0.3 -2,-0.2 0.895 107.8 53.5 -64.6 -37.8 28.7 -9.1 71.1 110 110 A D H 3<5S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.797 103.1 59.6 -63.9 -26.1 31.3 -10.5 73.6 111 111 A M T 3<5S- 0 0 35 -4,-0.8 -36,-0.5 -5,-0.2 -38,-0.4 0.470 131.7 -94.8 -74.0 -10.8 28.5 -13.1 74.2 112 112 A G T < 5S+ 0 0 20 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.539 76.3 142.4 105.7 5.5 28.7 -14.1 70.5 113 113 A Y < - 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0 0 131 190,-0.0 2,-0.6 1,-0.0 0, 0.0 -0.680 360.0-120.3 -84.8 141.5 -12.7 -31.2 88.5 141 3 B L + 0 0 4 -2,-0.3 2,-0.3 2,-0.1 186,-0.0 -0.766 47.5 148.1 -86.1 122.6 -13.4 -27.6 87.6 142 4 B K - 0 0 100 -2,-0.6 2,-2.4 2,-0.2 386,-0.0 -0.972 56.7-113.1-145.1 147.6 -16.8 -26.3 88.9 143 5 B N S S+ 0 0 32 -2,-0.3 2,-0.4 2,-0.0 386,-0.1 -0.457 79.0 116.4 -84.8 73.3 -17.8 -22.9 90.0 144 6 B K S S- 0 0 142 -2,-2.4 -2,-0.2 384,-0.1 237,-0.1 -0.999 74.1-100.4-141.9 135.0 -18.2 -24.0 93.5 145 7 B K - 0 0 64 -2,-0.4 236,-0.1 235,-0.3 2,-0.1 -0.298 43.1-115.6 -54.6 131.9 -16.4 -23.0 96.7 146 8 B W - 0 0 11 187,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.344 30.1-116.4 -64.2 142.0 -13.8 -25.6 97.7 147 9 B T > - 0 0 62 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.300 26.8-107.1 -74.3 168.5 -14.5 -27.4 100.9 148 10 B D H > S+ 0 0 87 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.910 120.5 50.9 -61.1 -36.9 -12.1 -26.9 103.8 149 11 B E H > S+ 0 0 143 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 109.8 47.1 -69.1 -43.5 -10.8 -30.5 103.3 150 12 B E H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 114.3 49.4 -57.2 -52.7 -10.2 -30.1 99.5 151 13 B F H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.938 110.6 48.8 -65.1 -46.1 -8.4 -26.8 100.1 152 14 B H H X S+ 0 0 104 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.888 109.4 52.8 -59.8 -38.5 -6.2 -28.3 102.9 153 15 B K H X S+ 0 0 131 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.955 111.0 46.5 -63.6 -44.0 -5.3 -31.2 100.7 154 16 B Q H X S+ 0 0 20 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.898 109.2 56.8 -60.3 -42.9 -4.2 -28.9 97.9 155 17 B R H X S+ 0 0 14 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.896 101.6 53.6 -56.4 -44.9 -2.3 -26.8 100.4 156 18 B E H < S+ 0 0 82 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.838 113.6 45.0 -64.3 -29.9 -0.2 -29.6 101.7 157 19 B E H >< S+ 0 0 85 -4,-1.3 3,-1.3 -5,-0.2 -2,-0.2 0.951 113.2 48.9 -70.7 -50.0 0.8 -30.2 98.1 158 20 B V H >< S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.3 4,-0.2 0.887 102.9 59.8 -60.0 -40.6 1.5 -26.6 97.2 159 21 B L G >< S+ 0 0 21 -4,-2.4 3,-0.6 1,-0.3 6,-0.3 0.733 97.6 62.3 -68.8 -15.4 3.6 -25.8 100.2 160 22 B Q G < S+ 0 0 159 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.441 77.2 90.4 -84.8 -0.6 6.1 -28.5 99.1 161 23 B Q G < S+ 0 0 67 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.1 0.694 101.6 8.0 -77.9 -13.2 7.0 -26.8 95.8 162 24 B W S X S- 0 0 80 -3,-0.6 3,-2.5 -4,-0.2 4,-0.3 -0.954 80.4-111.3-156.6 145.0 9.9 -24.7 97.3 163 25 B P G > S+ 0 0 97 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.772 111.8 69.2 -55.3 -24.2 11.5 -24.9 100.7 164 26 B T G > S+ 0 0 13 1,-0.3 3,-2.1 2,-0.2 106,-0.4 0.690 79.0 79.7 -64.6 -17.9 10.2 -21.5 101.8 165 27 B G G X S+ 0 0 3 -3,-2.5 3,-1.2 1,-0.3 -1,-0.3 0.722 80.7 68.4 -58.8 -24.2 6.7 -23.1 101.8 166 28 B K G < S+ 0 0 190 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.666 88.4 64.4 -69.1 -20.1 7.8 -24.5 105.2 167 29 B E G < S+ 0 0 84 -3,-2.1 2,-0.8 -4,-0.2 -1,-0.3 0.576 80.5 99.0 -77.5 -9.4 7.7 -20.9 106.6 168 30 B V < + 0 0 15 -3,-1.2 2,-0.5 -4,-0.3 131,-0.1 -0.681 41.5 164.7 -90.2 114.4 3.9 -20.7 106.0 169 31 B D > - 0 0 78 -2,-0.8 4,-2.9 1,-0.1 5,-0.2 -0.936 22.9-159.8-120.7 105.9 1.9 -21.4 109.2 170 32 B L H > S+ 0 0 24 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.858 90.9 53.4 -62.4 -31.4 -1.7 -20.3 108.8 171 33 B Q H > S+ 0 0 166 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.963 115.1 39.0 -63.0 -50.5 -2.3 -20.1 112.5 172 34 B E H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.911 113.9 57.5 -64.9 -38.6 0.7 -17.8 113.1 173 35 B A H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.906 102.0 52.6 -63.6 -44.4 -0.1 -15.9 109.9 174 36 B V H X S+ 0 0 17 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.944 111.3 47.3 -60.2 -40.2 -3.6 -14.9 110.9 175 37 B D H X S+ 0 0 105 -4,-1.5 4,-0.5 -5,-0.2 -2,-0.2 0.934 113.2 48.9 -69.1 -36.0 -2.3 -13.4 114.2 176 38 B Y H >< S+ 0 0 26 -4,-2.3 3,-1.0 1,-0.2 4,-0.3 0.923 112.5 48.3 -59.9 -49.8 0.5 -11.6 112.3 177 39 B L H >< S+ 0 0 6 -4,-3.0 3,-1.4 1,-0.3 -2,-0.2 0.874 106.1 56.2 -60.3 -40.5 -2.0 -10.2 109.8 178 40 B K H 3< S+ 0 0 120 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.643 101.4 59.8 -69.3 -11.3 -4.4 -9.0 112.4 179 41 B K T << S+ 0 0 156 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.480 79.0 107.6 -94.9 -0.4 -1.6 -7.0 114.0 180 42 B I S < S- 0 0 22 -3,-1.4 5,-0.1 -4,-0.3 -3,-0.0 -0.548 79.1-113.1 -72.2 130.0 -1.1 -4.9 110.9 181 43 B P > - 0 0 66 0, 0.0 3,-3.1 0, 0.0 4,-0.3 -0.347 23.0-114.8 -65.0 150.8 -2.4 -1.4 111.4 182 44 B A G > S+ 0 0 46 1,-0.3 3,-1.5 2,-0.2 7,-0.3 0.814 115.0 65.7 -53.0 -32.4 -5.4 -0.4 109.2 183 45 B E G 3 S+ 0 0 129 1,-0.3 -1,-0.3 5,-0.1 98,-0.0 0.626 105.3 44.4 -63.9 -15.9 -3.2 2.1 107.4 184 46 B K G < S+ 0 0 28 -3,-3.1 2,-0.6 98,-0.2 100,-0.6 0.218 89.9 99.2-115.0 9.4 -1.2 -0.8 106.0 185 47 B N <> - 0 0 8 -3,-1.5 4,-2.4 -4,-0.3 5,-0.2 -0.897 60.8-154.7 -99.0 118.6 -4.1 -3.0 105.1 186 48 B F H > S+ 0 0 0 -2,-0.6 4,-2.1 98,-0.2 5,-0.2 0.879 91.5 50.1 -59.6 -42.3 -4.9 -2.7 101.4 187 49 B A H > S+ 0 0 1 119,-0.4 4,-1.4 161,-0.4 -1,-0.2 0.938 112.6 45.5 -63.5 -43.6 -8.5 -3.7 101.7 188 50 B E H > S+ 0 0 76 160,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.923 111.2 52.2 -67.5 -42.3 -9.3 -1.3 104.5 189 51 B K H X S+ 0 0 33 -4,-2.4 4,-2.6 -7,-0.3 -1,-0.2 0.887 106.1 54.5 -65.6 -40.6 -7.5 1.6 102.8 190 52 B L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.845 105.8 53.2 -56.2 -37.3 -9.5 1.0 99.6 191 53 B V H X S+ 0 0 60 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.926 109.9 48.6 -64.0 -42.3 -12.7 1.3 101.6 192 54 B L H X S+ 0 0 73 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.911 109.5 51.8 -61.2 -44.9 -11.4 4.6 102.9 193 55 B A H X>S+ 0 0 0 -4,-2.6 5,-1.7 1,-0.2 4,-1.1 0.932 109.2 50.0 -61.8 -43.5 -10.6 5.8 99.4 194 56 B K H ><5S+ 0 0 71 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.943 110.1 51.1 -57.7 -44.0 -14.1 5.0 98.2 195 57 B K H 3<5S+ 0 0 180 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 112.8 44.7 -65.0 -33.5 -15.6 6.8 101.1 196 58 B K H 3<5S- 0 0 123 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.570 104.6-127.0 -87.5 -9.7 -13.5 10.0 100.4 197 59 B G T <<5 + 0 0 32 -4,-1.1 297,-0.3 -3,-0.7 2,-0.3 0.830 61.6 139.8 63.7 37.3 -14.1 9.9 96.6 198 60 B I < - 0 0 57 -5,-1.7 2,-0.6 -6,-0.2 -1,-0.2 -0.818 53.3-129.9-112.4 152.8 -10.4 10.1 96.0 199 61 B T - 0 0 20 -2,-0.3 2,-0.4 -3,-0.1 261,-0.3 -0.877 25.0-148.8 -96.9 126.0 -8.3 8.4 93.4 200 62 B M E -e 460 0B 8 259,-2.6 261,-2.4 -2,-0.6 2,-0.4 -0.807 7.8-134.8 -98.6 141.7 -5.2 6.7 94.9 201 63 B A E +e 461 0B 0 -2,-0.4 26,-2.4 259,-0.2 27,-1.1 -0.776 22.6 178.9-102.3 133.8 -1.9 6.3 93.0 202 64 B Q E -e 462 0B 0 259,-2.7 261,-2.1 -2,-0.4 27,-0.1 -0.993 9.4-157.5-136.2 124.7 0.0 3.1 92.9 203 65 B P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 261,-0.1 -0.306 19.2-117.3 -86.7 179.1 3.3 2.4 91.0 204 66 B R + 0 0 35 259,-0.5 2,-0.2 -2,-0.1 25,-0.0 -0.860 44.9 152.3-109.0 150.5 4.9 -0.8 89.8 205 67 B A + 0 0 9 -2,-0.3 27,-2.7 82,-0.1 2,-0.2 -0.829 7.0 140.4 178.7 136.8 8.3 -1.7 91.3 206 68 B G - 0 0 4 -2,-0.2 2,-0.3 25,-0.2 25,-0.1 -0.796 13.0-175.2 177.0 141.3 10.6 -4.6 92.1 207 69 B V - 0 0 31 -2,-0.2 6,-0.1 2,-0.2 54,-0.1 -0.887 37.3-106.6-138.0 168.8 14.2 -5.7 92.1 208 70 B A S S+ 0 0 0 52,-0.3 2,-0.3 -2,-0.3 41,-0.1 0.835 91.8 67.6 -69.5 -38.8 16.0 -8.9 92.9 209 71 B L S > S- 0 0 21 1,-0.1 4,-2.2 54,-0.1 5,-0.2 -0.598 74.1-134.1 -95.7 146.8 17.7 -8.2 96.2 210 72 B L H > S+ 0 0 29 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.936 101.5 43.0 -66.3 -47.3 15.8 -7.7 99.4 211 73 B D H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 116.0 49.5 -66.3 -37.3 17.5 -4.6 100.8 212 74 B E H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.855 109.6 52.3 -64.4 -40.3 17.6 -2.8 97.4 213 75 B H H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.885 110.1 48.4 -61.8 -47.0 13.9 -3.6 97.0 214 76 B I H X S+ 0 0 20 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.916 110.0 51.1 -61.7 -44.8 13.1 -2.1 100.3 215 77 B E H X S+ 0 0 122 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.869 110.5 51.4 -62.6 -37.7 15.1 1.0 99.6 216 78 B L H X S+ 0 0 19 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.978 111.3 44.6 -64.5 -54.4 13.2 1.4 96.3 217 79 B L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.888 110.7 55.3 -59.4 -36.6 9.8 1.1 97.8 218 80 B R H X S+ 0 0 122 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.898 108.2 49.3 -64.9 -37.4 10.8 3.5 100.6 219 81 B Y H X>S+ 0 0 66 -4,-1.9 5,-2.0 2,-0.2 4,-2.0 0.900 109.9 50.2 -62.1 -44.1 11.8 6.1 98.0 220 82 B L H <>S+ 0 0 0 -4,-2.1 6,-2.1 3,-0.2 5,-0.6 0.883 115.7 44.1 -66.9 -35.8 8.5 5.7 96.1 221 83 B Q H X5S+ 0 0 22 -4,-2.2 4,-0.7 4,-0.2 -2,-0.2 0.967 126.1 29.6 -64.9 -57.3 6.6 6.1 99.3 222 84 B D H <5S+ 0 0 114 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.942 134.4 24.2 -77.4 -57.2 8.7 9.0 100.6 223 85 B E T <5S+ 0 0 85 -4,-2.0 -3,-0.2 -5,-0.3 -4,-0.1 0.862 129.7 43.1 -83.0 -34.8 9.9 10.9 97.6 224 86 B G T 4 - 0 0 0 29,-0.3 4,-1.6 -2,-0.2 -1,-0.1 -0.182 25.7-114.6 -66.2 161.7 10.1 -11.3 88.4 235 97 B A H > S+ 0 0 11 1,-0.2 4,-0.7 2,-0.2 6,-0.1 0.685 111.6 62.3 -78.4 -16.4 9.2 -13.5 85.4 236 98 B Y H >4>S+ 0 0 1 2,-0.2 5,-2.9 1,-0.2 3,-0.8 0.909 106.4 47.7 -69.7 -42.1 11.1 -16.5 86.5 237 99 B T H >45S+ 0 0 1 1,-0.3 3,-2.4 3,-0.2 -2,-0.2 0.928 105.8 59.0 -57.4 -44.1 8.9 -16.7 89.6 238 100 B R H 3<5S+ 0 0 20 -4,-1.6 54,-0.5 1,-0.3 -1,-0.3 0.758 109.1 43.6 -58.2 -27.2 5.9 -16.3 87.3 239 101 B Q T <<5S- 0 0 53 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.280 118.6-112.9-104.5 13.4 6.9 -19.4 85.5 240 102 B N T < 5S+ 0 0 54 -3,-2.4 2,-0.8 1,-0.1 -3,-0.2 0.741 71.7 140.1 62.6 33.8 7.7 -21.2 88.8 241 103 B R >>< + 0 0 104 -5,-2.9 4,-1.6 1,-0.2 3,-0.8 -0.593 12.5 160.0-102.8 67.3 11.4 -21.3 88.0 242 104 B Y H 3> S+ 0 0 12 -2,-0.8 4,-2.2 1,-0.3 -1,-0.2 0.713 71.0 64.8 -66.1 -21.1 12.8 -20.6 91.5 243 105 B D H 3> S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.919 104.2 44.7 -63.8 -43.1 16.1 -22.1 90.4 244 106 B E H <> S+ 0 0 44 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.858 109.1 57.0 -71.6 -34.9 16.5 -19.3 87.9 245 107 B C H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.949 106.6 50.0 -53.5 -48.3 15.4 -16.8 90.5 246 108 B E H X S+ 0 0 64 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.938 110.3 47.9 -63.8 -45.2 18.2 -18.0 92.7 247 109 B N H X S+ 0 0 71 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.936 112.3 51.7 -56.5 -40.8 20.8 -17.7 90.0 248 110 B G H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 11,-0.5 0.803 106.2 53.7 -70.4 -28.5 19.5 -14.2 89.3 249 111 B I H X S+ 0 0 20 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.946 111.9 44.4 -68.7 -46.7 19.7 -13.2 92.9 250 112 B K H X S+ 0 0 129 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.890 112.8 51.2 -62.9 -40.7 23.4 -14.2 92.9 251 113 B E H X S+ 0 0 63 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.862 109.9 50.4 -66.8 -35.4 24.1 -12.6 89.6 252 114 B S H X>S+ 0 0 1 -4,-1.7 4,-1.7 2,-0.2 5,-1.2 0.823 108.3 51.9 -69.3 -38.0 22.5 -9.3 90.8 253 115 B E H <5S+ 0 0 125 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.942 113.9 44.7 -61.7 -43.7 24.6 -9.4 94.0 254 116 B K H <5S+ 0 0 189 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.840 115.8 45.4 -68.3 -39.0 27.7 -9.8 91.9 255 117 B A H <5S- 0 0 53 -4,-2.0 -1,-0.2 2,-0.3 -2,-0.2 0.701 102.1-127.0 -83.5 -21.5 26.8 -7.2 89.3 256 118 B G T <5S+ 0 0 68 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.697 83.0 67.8 81.4 20.2 25.7 -4.5 91.7 257 119 B R S + 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.499 27.9 173.9 -79.0 84.6 11.4 -13.1 93.7 265 127 B G H > S+ 0 0 0 -2,-1.7 4,-1.6 1,-0.2 8,-0.2 0.844 71.6 55.8 -67.5 -30.4 9.0 -13.5 96.5 266 128 B V H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 -102,-0.2 0.923 111.6 44.9 -69.2 -38.4 8.9 -17.3 96.6 267 129 B N H 4 S+ 0 0 22 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.861 113.3 48.6 -74.0 -31.8 12.7 -17.4 97.1 268 130 B F H X S- 0 0 42 -4,-2.1 4,-1.8 1,-0.1 -1,-0.2 0.756 100.1-167.9 -79.9 -22.1 12.7 -14.6 99.7 269 131 B G H X - 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 5,-0.2 -0.027 41.8 -47.1 72.0-167.8 10.0 -16.4 101.5 270 132 B V H > S+ 0 0 6 -106,-0.4 4,-2.4 1,-0.2 5,-0.2 0.915 134.9 57.6 -71.6 -38.2 7.7 -15.3 104.3 271 133 B K H > S+ 0 0 136 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.937 111.7 41.1 -57.5 -46.3 10.7 -13.9 106.3 272 134 B G H X S+ 0 0 4 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.908 112.3 53.0 -67.9 -42.9 11.7 -11.6 103.4 273 135 B C H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.884 109.6 50.8 -59.1 -42.8 8.2 -10.5 102.4 274 136 B R H X S+ 0 0 32 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.872 105.0 55.7 -64.1 -36.3 7.5 -9.5 106.1 275 137 B K H X S+ 0 0 88 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.910 106.9 51.9 -65.9 -36.3 10.7 -7.5 106.2 276 138 B V H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 3,-0.5 0.980 111.9 45.0 -57.2 -52.2 9.4 -5.6 103.2 277 139 B L H >< S+ 0 0 4 -4,-2.1 3,-0.9 26,-0.3 -2,-0.2 0.942 111.8 51.7 -60.6 -44.2 6.1 -4.9 104.9 278 140 B E H 3< S+ 0 0 110 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.782 106.5 55.1 -66.9 -24.2 7.8 -3.9 108.2 279 141 B A H 3< S+ 0 0 18 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.630 106.1 59.2 -82.6 -16.4 10.1 -1.4 106.4 280 142 B V << - 0 0 0 -4,-1.0 4,-0.1 -3,-0.9 -62,-0.1 -0.596 65.0-147.5-108.9 172.1 7.2 0.5 104.8 281 143 B N S S+ 0 0 108 -2,-0.2 -3,-0.1 2,-0.1 -4,-0.1 0.121 73.9 76.6-125.1 24.0 4.2 2.4 106.0 282 144 B L S S- 0 0 19 -5,-0.1 -98,-0.2 -98,-0.1 -54,-0.1 -0.891 90.0 -86.6-128.9 160.0 1.8 1.7 103.2 283 145 B P - 0 0 0 0, 0.0 -54,-2.4 0, 0.0 2,-0.4 -0.369 44.7-136.1 -64.3 145.8 -0.3 -1.4 102.2 284 146 B L E -f 229 0B 0 -100,-0.6 22,-0.7 20,-0.3 23,-0.6 -0.861 19.6-174.5-111.4 139.6 1.5 -3.9 100.0 285 147 B Q E -fg 230 307B 0 -56,-1.7 -54,-1.1 -2,-0.4 2,-0.5 -0.992 25.5-128.4-130.4 133.9 0.2 -5.8 97.0 286 148 B A E -fg 231 308B 0 21,-2.2 23,-2.1 -2,-0.4 2,-0.4 -0.704 29.5-173.9 -76.6 120.3 1.8 -8.5 94.9 287 149 B R E +f 232 0B 0 -56,-1.9 -54,-1.8 -2,-0.5 2,-0.1 -0.974 30.4 108.1-116.2 132.5 1.6 -7.4 91.2 288 150 B H - 0 0 0 -2,-0.4 22,-0.1 -56,-0.2 -53,-0.1 -0.462 65.2-108.2-164.9-128.9 2.7 -10.0 88.6 289 151 B G + 0 0 1 -2,-0.1 21,-0.1 20,-0.1 26,-0.1 -0.040 48.1 157.7 165.5 70.1 1.3 -12.3 85.9 290 152 B T - 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0 0 0 29,-0.5 4,-1.4 -2,-0.2 -1,-0.1 -0.224 25.8-113.2 -68.6 161.3 11.3 42.5 77.2 857 97 D A H > S+ 0 0 9 2,-0.2 4,-0.6 1,-0.2 6,-0.1 0.657 112.1 58.6 -75.1 -19.9 9.9 44.6 80.1 858 98 D Y H >4>S+ 0 0 1 2,-0.2 5,-2.6 1,-0.2 3,-1.3 0.926 106.4 49.8 -72.3 -45.9 11.9 47.8 79.4 859 99 D T H >45S+ 0 0 1 1,-0.3 3,-1.7 3,-0.2 -2,-0.2 0.910 105.9 57.2 -51.8 -41.5 10.4 47.9 75.9 860 100 D R H 3<5S+ 0 0 21 -4,-1.4 54,-0.5 1,-0.3 -1,-0.3 0.704 109.5 44.8 -66.3 -22.2 7.0 47.4 77.4 861 101 D Q T <<5S- 0 0 52 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.236 117.8-113.6-105.2 11.7 7.7 50.6 79.5 862 102 D N T < 5S+ 0 0 57 -3,-1.7 2,-1.1 -4,-0.3 -3,-0.2 0.714 72.1 138.7 67.1 25.5 9.1 52.4 76.4 863 103 D R >< + 0 0 104 -5,-2.6 4,-1.6 1,-0.2 3,-0.4 -0.635 13.8 160.5 -98.5 73.7 12.6 52.6 78.0 864 104 D Y H > S+ 0 0 10 -2,-1.1 4,-2.3 1,-0.3 -1,-0.2 0.744 70.5 65.6 -74.7 -19.8 14.7 51.8 74.9 865 105 D D H > S+ 0 0 81 2,-0.2 4,-2.1 -3,-0.2 -1,-0.3 0.900 104.4 45.1 -58.3 -45.6 17.7 53.3 76.6 866 106 D E H > S+ 0 0 45 -3,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.911 108.3 57.6 -71.5 -34.5 17.5 50.5 79.1 867 107 D C H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.930 107.1 48.3 -53.2 -48.8 17.0 48.0 76.3 868 108 D E H X S+ 0 0 84 -4,-2.3 4,-2.3 1,-0.2 3,-0.2 0.934 110.1 51.1 -60.7 -47.9 20.3 49.1 74.7 869 109 D N H X S+ 0 0 71 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.913 110.8 49.4 -53.2 -41.2 22.1 48.8 77.9 870 110 D G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 11,-0.5 0.836 106.0 55.3 -75.0 -25.5 20.8 45.3 78.4 871 111 D I H X S+ 0 0 7 -4,-1.8 4,-2.0 -3,-0.2 -1,-0.2 0.957 110.5 47.4 -65.1 -47.2 21.8 44.3 74.9 872 112 D K H X S+ 0 0 96 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.880 112.9 46.9 -59.3 -44.1 25.3 45.4 75.8 873 113 D E H X S+ 0 0 46 -4,-2.2 4,-2.5 1,-0.2 6,-0.2 0.889 110.8 52.9 -67.6 -39.2 25.4 43.6 79.1 874 114 D S H X>S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 5,-0.8 0.873 107.5 52.2 -62.8 -36.7 24.0 40.5 77.5 875 115 D E H <5S+ 0 0 97 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.937 113.9 42.8 -66.7 -40.6 26.8 40.6 74.9 876 116 D K H <5S+ 0 0 142 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.891 117.1 45.8 -69.6 -41.7 29.4 40.8 77.6 877 117 D A H <5S- 0 0 53 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.651 99.0-131.0 -80.3 -19.4 27.8 38.2 79.9 878 118 D G T <5S+ 0 0 67 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.742 81.2 75.0 71.4 19.6 27.1 35.6 77.2 879 119 D R S + 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.505 30.1 175.5 -75.3 85.5 13.9 44.3 72.5 887 127 D G H > S+ 0 0 0 -2,-1.7 4,-1.2 1,-0.2 8,-0.2 0.842 71.2 51.0 -66.2 -35.8 11.9 44.7 69.3 888 128 D V H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.913 112.2 48.2 -67.1 -43.1 11.9 48.4 68.9 889 129 D N H 4 S+ 0 0 16 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.867 111.5 49.4 -65.5 -34.7 15.7 48.5 69.4 890 130 D F H X S- 0 0 40 -4,-2.1 4,-1.6 1,-0.1 -1,-0.2 0.700 101.1-164.8 -80.8 -18.5 16.2 45.7 66.8 891 131 D G H X - 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