==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAY-13 4KK3 . COMPND 2 MOLECULE: LOW MOLECULAR WEIGHT PROTEIN-TYROSINE-PHOSPHATASE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR J.FUHRMANN,T.CLAUSEN . 151 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 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 . 10 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 2 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 0 1 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 . 1 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 1 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 1 A X 0 0 40 0, 0.0 32,-3.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 179.4 6.4 -12.6 16.6 2 2 A D E -a 33 0A 54 30,-0.2 76,-2.3 74,-0.2 77,-1.7 -0.905 360.0-174.9-104.8 118.4 6.2 -9.0 17.7 3 3 A I E -ab 34 79A 3 30,-3.4 32,-2.3 -2,-0.6 2,-0.4 -0.919 5.2-168.7-115.2 133.7 8.8 -6.7 16.2 4 4 A I E -ab 35 80A 6 75,-2.4 77,-3.0 -2,-0.4 2,-0.4 -0.987 8.7-154.0-123.5 129.6 9.3 -3.0 17.0 5 5 A F E -ab 36 81A 0 30,-2.3 32,-2.1 -2,-0.4 2,-0.4 -0.829 18.0-162.9 -95.3 135.2 11.4 -0.5 15.1 6 6 A V E +ab 37 82A 0 75,-2.1 77,-1.9 -2,-0.4 78,-0.2 -0.970 20.1 150.0-127.0 133.2 12.8 2.4 17.1 7 7 A C E -a 38 0A 2 30,-1.7 32,-2.4 -2,-0.4 33,-0.3 -0.549 53.6 -87.5-132.9-155.9 14.2 5.8 16.2 8 8 A T S S+ 0 0 45 30,-0.2 32,-2.3 -2,-0.2 -1,-0.1 0.954 114.8 13.6 -84.9 -63.3 14.3 9.2 17.7 9 9 A G S S- 0 0 23 30,-0.1 33,-0.5 29,-0.1 29,-0.2 0.665 84.9-132.9 -90.5 -13.2 11.2 11.1 16.6 10 10 A N S S+ 0 0 0 27,-0.3 28,-0.1 31,-0.1 57,-0.1 0.861 85.4 100.4 54.2 37.6 9.2 8.1 15.2 11 11 A T S S+ 0 0 33 55,-0.1 37,-1.8 36,-0.1 40,-0.1 0.593 88.9 7.3-118.7 -23.3 8.6 10.4 12.3 12 12 A C S > S+ 0 0 2 35,-0.2 4,-1.9 39,-0.1 5,-0.2 0.669 123.4 29.2-122.7 -73.5 11.1 9.2 9.6 13 13 A R H > S+ 0 0 6 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.951 120.8 41.7 -67.7 -56.4 13.2 6.1 10.0 14 14 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 116.1 48.9 -66.1 -36.8 11.1 3.8 12.1 15 15 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.886 113.3 48.7 -66.6 -37.5 7.8 4.6 10.4 16 16 A X H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.926 112.4 48.6 -62.4 -44.1 9.5 4.0 7.0 17 17 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.924 110.8 50.3 -61.4 -44.9 10.9 0.7 8.3 18 18 A E H X S+ 0 0 21 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.926 114.7 42.8 -57.1 -48.1 7.5 -0.4 9.7 19 19 A A H X S+ 0 0 15 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.921 116.7 46.6 -70.7 -43.5 5.7 0.3 6.4 20 20 A L H X S+ 0 0 5 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.927 115.5 46.3 -60.9 -47.2 8.4 -1.2 4.2 21 21 A F H X S+ 0 0 0 -4,-3.0 4,-3.3 -5,-0.3 5,-0.2 0.870 107.4 55.9 -67.3 -36.9 8.7 -4.3 6.4 22 22 A K H X S+ 0 0 99 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.918 111.3 45.8 -59.4 -41.3 4.9 -4.9 6.6 23 23 A S H X S+ 0 0 24 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.939 115.6 44.6 -65.1 -50.1 4.8 -4.9 2.8 24 24 A I H X S+ 0 0 12 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.909 112.3 53.3 -59.0 -46.3 7.8 -7.2 2.5 25 25 A A H X>S+ 0 0 5 -4,-3.3 5,-3.2 1,-0.2 4,-0.8 0.883 107.3 50.0 -60.6 -42.4 6.5 -9.5 5.2 26 26 A E H <5S+ 0 0 134 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.836 112.6 47.3 -70.1 -29.3 3.1 -10.0 3.7 27 27 A R H <5S+ 0 0 189 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.906 112.7 48.3 -73.6 -42.2 4.7 -10.9 0.3 28 28 A E H <5S- 0 0 55 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.588 116.3-117.5 -73.4 -11.0 7.2 -13.3 1.9 29 29 A G T <5 + 0 0 53 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.757 54.7 167.5 78.7 24.7 4.3 -14.8 3.8 30 30 A L < - 0 0 12 -5,-3.2 2,-1.0 -6,-0.2 -1,-0.2 -0.532 32.7-146.7 -74.4 135.3 5.8 -13.8 7.1 31 31 A N + 0 0 133 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.732 49.8 129.0-102.1 82.4 3.5 -14.1 10.2 32 32 A V - 0 0 31 -2,-1.0 2,-0.5 119,-0.1 -30,-0.2 -0.937 54.4-131.4-132.9 156.5 4.8 -11.2 12.3 33 33 A N E -a 2 0A 84 -32,-3.7 -30,-3.4 -2,-0.3 2,-0.4 -0.943 29.7-162.4-107.6 126.5 3.3 -8.2 14.1 34 34 A V E +a 3 0A 11 -2,-0.5 2,-0.3 -32,-0.2 -30,-0.2 -0.930 17.9 155.3-122.9 132.3 5.1 -5.0 13.3 35 35 A R E -a 4 0A 88 -32,-2.3 -30,-2.3 -2,-0.4 2,-0.3 -0.842 21.4-147.7-137.1 174.1 5.1 -1.6 15.2 36 36 A S E +a 5 0A 2 -2,-0.3 2,-0.3 -32,-0.2 -30,-0.2 -0.983 16.1 168.5-142.7 155.6 7.3 1.4 15.6 37 37 A A E -a 6 0A 0 -32,-2.1 -30,-1.7 -2,-0.3 2,-0.4 -0.959 23.3-125.5-156.0 171.1 8.1 4.0 18.3 38 38 A G E > -ac 7 68A 0 29,-2.0 31,-2.1 -2,-0.3 3,-0.8 -0.958 10.5-141.4-128.3 144.7 10.5 6.8 19.2 39 39 A V T 3 S+ 0 0 25 -32,-2.4 -31,-0.2 -2,-0.4 -30,-0.1 0.768 110.4 23.4 -72.9 -24.8 12.7 7.4 22.2 40 40 A F T 3 S+ 0 0 139 -32,-2.3 -1,-0.2 -33,-0.3 2,-0.2 -0.314 97.9 137.8-131.6 51.5 12.0 11.2 22.0 41 41 A A < - 0 0 20 -3,-0.8 -31,-0.1 -34,-0.1 -32,-0.1 -0.612 44.3-142.0 -98.5 153.7 8.6 11.1 20.2 42 42 A S - 0 0 84 -33,-0.5 3,-0.4 -2,-0.2 2,-0.2 -0.745 27.1-116.3 -97.7 156.9 5.4 13.0 20.7 43 43 A P S S+ 0 0 89 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.576 96.7 32.3 -84.7 167.3 2.1 11.3 20.3 44 44 A N S S+ 0 0 136 22,-0.9 23,-0.1 1,-0.2 20,-0.0 0.313 88.6 133.2 68.0 -5.7 -0.3 12.4 17.5 45 45 A G - 0 0 23 -3,-0.4 21,-1.5 21,-0.2 2,-0.3 -0.110 46.9-137.4 -63.0 169.2 2.7 13.4 15.4 46 46 A K B -E 65 0B 156 19,-0.3 19,-0.2 -3,-0.1 17,-0.1 -0.889 25.0 -89.2-125.0 163.4 2.8 12.3 11.7 47 47 A A - 0 0 11 17,-0.8 -35,-0.2 -2,-0.3 -36,-0.1 -0.374 59.8 -97.8 -60.0 148.8 5.4 10.9 9.4 48 48 A T > - 0 0 16 -37,-1.8 4,-2.3 1,-0.1 3,-0.5 -0.381 30.0-111.9 -71.0 154.6 7.3 13.8 7.8 49 49 A P H > S+ 0 0 108 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.884 117.4 52.3 -55.0 -41.1 6.2 14.8 4.3 50 50 A H H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.844 108.3 50.3 -64.6 -36.4 9.4 13.6 2.7 51 51 A A H > S+ 0 0 0 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.919 112.7 47.8 -66.3 -43.9 9.1 10.1 4.4 52 52 A V H X S+ 0 0 54 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.926 113.5 46.9 -59.7 -46.9 5.6 9.9 3.0 53 53 A E H X S+ 0 0 97 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.901 108.2 56.3 -65.0 -40.3 6.6 11.0 -0.4 54 54 A A H < S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.897 114.5 38.2 -59.9 -40.1 9.6 8.5 -0.5 55 55 A L H ><>S+ 0 0 0 -4,-1.9 5,-2.1 2,-0.2 3,-1.0 0.856 109.1 62.1 -79.6 -34.3 7.3 5.6 0.2 56 56 A F H ><5S+ 0 0 153 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.869 96.2 61.2 -58.4 -37.2 4.5 6.9 -2.0 57 57 A E T 3<5S+ 0 0 84 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.825 106.7 45.4 -56.9 -33.1 6.9 6.7 -4.9 58 58 A K T < 5S- 0 0 92 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.138 123.6-105.9 -98.4 17.7 7.1 2.9 -4.3 59 59 A H T < 5S+ 0 0 176 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.818 79.3 129.3 61.6 36.6 3.3 2.7 -3.9 60 60 A I < - 0 0 31 -5,-2.1 2,-0.5 -8,-0.2 -1,-0.2 -0.983 53.5-135.7-119.7 132.5 3.3 2.2 -0.2 61 61 A A - 0 0 86 -2,-0.4 2,-0.8 -42,-0.1 -8,-0.1 -0.735 10.9-163.7 -89.4 127.9 1.1 4.4 2.0 62 62 A L + 0 0 16 -2,-0.5 2,-0.9 -10,-0.2 -15,-0.2 -0.734 21.9 161.6-111.1 80.0 2.8 5.8 5.1 63 63 A N + 0 0 157 -2,-0.8 2,-0.4 -48,-0.1 -2,-0.1 -0.841 24.8 161.4-101.4 96.4 -0.2 6.9 7.2 64 64 A H - 0 0 20 -2,-0.9 -17,-0.8 -53,-0.1 2,-0.5 -0.923 37.1-161.1-134.0 140.6 1.4 7.2 10.5 65 65 A V B -E 46 0B 78 -2,-0.4 -19,-0.3 -19,-0.2 -20,-0.1 -0.986 36.3-112.7-119.9 128.7 0.9 8.7 13.9 66 66 A S - 0 0 5 -21,-1.5 -22,-0.9 -2,-0.5 -21,-0.2 -0.203 32.6-170.1 -60.8 144.9 4.0 9.1 16.2 67 67 A S - 0 0 32 -24,-0.2 -29,-2.0 -57,-0.1 2,-0.2 -1.000 19.3-127.2-138.0 135.5 4.2 7.0 19.4 68 68 A P B -c 38 0A 44 0, 0.0 2,-0.2 0, 0.0 -29,-0.2 -0.530 34.0-107.9 -76.2 148.8 6.6 7.2 22.4 69 69 A L - 0 0 10 -31,-2.1 2,-0.3 -2,-0.2 -28,-0.1 -0.568 45.1-171.1 -71.3 139.0 8.3 4.0 23.4 70 70 A T > - 0 0 53 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.870 38.5-108.9-130.3 165.7 6.9 2.7 26.7 71 71 A E H > S+ 0 0 84 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.892 118.6 56.1 -58.9 -41.0 7.7 0.0 29.2 72 72 A E H > S+ 0 0 148 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 108.5 45.9 -58.9 -45.5 4.6 -1.9 28.1 73 73 A L H > S+ 0 0 28 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 112.7 51.4 -63.0 -41.1 5.9 -2.0 24.5 74 74 A X H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.871 111.3 47.3 -65.5 -38.2 9.3 -3.0 25.6 75 75 A E H < S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.913 115.1 44.6 -68.3 -43.6 8.0 -5.9 27.7 76 76 A S H < S+ 0 0 58 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.702 90.9 99.5 -79.3 -22.3 5.7 -7.3 25.0 77 77 A A < - 0 0 6 -4,-1.6 -74,-0.2 -5,-0.1 3,-0.2 -0.374 53.3-162.3 -66.4 142.7 8.1 -7.1 22.1 78 78 A D S S+ 0 0 95 -76,-2.3 2,-0.3 1,-0.3 -75,-0.2 0.757 84.1 16.1 -88.0 -30.2 10.0 -10.2 21.0 79 79 A L E -b 3 0A 8 -77,-1.7 -75,-2.4 2,-0.0 2,-0.5 -0.987 63.4-163.5-148.3 130.0 12.6 -8.1 19.1 80 80 A V E -bd 4 102A 0 21,-3.0 23,-2.3 -2,-0.3 2,-0.7 -0.968 9.3-166.4-116.5 117.5 13.4 -4.4 19.2 81 81 A L E -bd 5 103A 0 -77,-3.0 -75,-2.1 -2,-0.5 23,-0.2 -0.898 6.9-164.6-113.8 111.0 15.4 -3.1 16.3 82 82 A A E -bd 6 104A 0 21,-2.3 23,-2.4 -2,-0.7 24,-0.3 -0.538 21.9-134.3 -91.2 153.0 16.9 0.3 16.8 83 83 A X S S+ 0 0 0 -77,-1.9 33,-2.3 21,-0.2 2,-0.3 0.893 85.2 22.0 -74.0 -39.2 18.3 2.6 14.1 84 84 A T S > S- 0 0 14 31,-0.2 4,-1.4 -78,-0.2 3,-0.2 -0.860 74.1-117.1-128.7 162.7 21.5 3.5 15.9 85 85 A H H > S+ 0 0 26 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.866 117.3 58.8 -66.1 -32.2 23.8 2.3 18.7 86 86 A Q H > S+ 0 0 118 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.858 99.4 57.3 -62.7 -35.1 22.9 5.5 20.6 87 87 A H H > S+ 0 0 6 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 103.6 53.1 -61.0 -41.2 19.2 4.4 20.4 88 88 A K H X S+ 0 0 41 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.876 108.4 51.5 -56.0 -40.3 20.2 1.2 22.2 89 89 A Q H X S+ 0 0 93 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.882 110.3 46.5 -65.7 -43.9 21.8 3.2 24.9 90 90 A I H X S+ 0 0 33 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.901 109.4 55.0 -65.2 -43.0 18.8 5.4 25.4 91 91 A I H X S+ 0 0 5 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.922 109.8 48.2 -54.5 -45.3 16.6 2.3 25.5 92 92 A A H < S+ 0 0 32 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.790 113.5 46.0 -66.3 -30.2 18.8 0.9 28.3 93 93 A S H < S+ 0 0 78 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.781 119.5 37.7 -85.7 -27.0 18.8 4.1 30.3 94 94 A Q H < S+ 0 0 125 -4,-2.1 -2,-0.2 -5,-0.1 2,-0.2 0.686 117.3 36.8-100.2 -21.7 15.0 4.8 30.1 95 95 A F S < S- 0 0 49 -4,-1.9 3,-0.1 -5,-0.3 -24,-0.0 -0.553 86.5 -68.5-126.7-170.8 13.5 1.3 30.3 96 96 A G - 0 0 27 -2,-0.2 2,-1.8 1,-0.1 -1,-0.2 0.255 67.0 -63.0 -72.0-167.9 13.8 -2.1 31.9 97 97 A R S S+ 0 0 223 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 -0.555 81.4 126.8 -81.8 80.0 16.3 -5.0 31.7 98 98 A Y >> + 0 0 46 -2,-1.8 3,-2.2 1,-0.1 4,-0.6 0.095 16.0 124.9-127.7 21.9 15.7 -5.8 28.0 99 99 A R G >4 + 0 0 141 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.797 69.6 66.1 -50.2 -33.0 19.2 -5.7 26.5 100 100 A D G 34 S+ 0 0 156 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.636 106.6 39.6 -72.2 -12.7 18.7 -9.3 25.2 101 101 A K G <4 S+ 0 0 37 -3,-2.2 -21,-3.0 -22,-0.1 2,-0.5 0.413 98.8 88.5-111.2 -0.5 16.0 -8.2 22.8 102 102 A V E << +d 80 0A 8 -3,-1.0 2,-0.3 -4,-0.6 -21,-0.2 -0.880 45.7 147.9-110.2 123.6 17.4 -4.9 21.6 103 103 A F E -d 81 0A 66 -23,-2.3 -21,-2.3 -2,-0.5 2,-0.1 -0.969 48.6-102.6-141.8 153.6 19.8 -4.7 18.6 104 104 A T E > -d 82 0A 0 -2,-0.3 4,-2.3 -23,-0.2 5,-0.2 -0.504 35.5-118.2 -71.0 154.8 20.5 -2.2 15.9 105 105 A L H > S+ 0 0 0 -23,-2.4 4,-2.1 2,-0.2 5,-0.3 0.927 115.7 47.4 -58.8 -43.8 18.9 -3.1 12.6 106 106 A K H >>S+ 0 0 48 8,-0.4 4,-2.9 -24,-0.3 5,-0.7 0.938 111.0 51.4 -66.0 -45.8 22.3 -3.3 10.9 107 107 A E H >5S+ 0 0 51 7,-0.4 4,-1.6 4,-0.2 -1,-0.2 0.929 113.5 43.9 -48.5 -55.1 23.8 -5.5 13.8 108 108 A Y H <5S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.898 123.1 34.2 -65.9 -42.5 21.0 -8.0 13.7 109 109 A V H <5S+ 0 0 7 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.901 133.1 22.1 -83.0 -42.0 20.8 -8.3 9.9 110 110 A T H <5S- 0 0 61 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.570 91.1-127.6-108.3 -14.3 24.4 -7.9 8.8 111 111 A G S < + 0 0 2 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 0.551 41.8 131.2 -84.6 -6.1 17.4 11.8 7.4 120 120 A F T 3 S+ 0 0 134 1,-0.3 3,-0.1 6,-0.1 -2,-0.0 -0.150 73.8 17.2 -55.8 136.9 15.4 14.5 9.2 121 121 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 0.333 104.1 119.2 84.3 -6.4 15.9 18.0 7.8 122 122 A G < - 0 0 20 -3,-2.3 -1,-0.3 1,-0.2 -72,-0.1 -0.331 69.5 -92.1 -88.6 171.0 17.3 16.5 4.6 123 123 A S > - 0 0 59 -3,-0.1 4,-1.9 1,-0.1 3,-0.5 -0.189 42.9 -97.4 -73.6 171.7 16.1 16.8 1.0 124 124 A I H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.849 126.8 58.2 -58.1 -32.5 13.8 14.3 -0.6 125 125 A D H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.864 102.1 52.3 -68.9 -34.7 16.9 12.6 -2.1 126 126 A I H > S+ 0 0 69 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.936 111.5 47.9 -61.1 -46.7 18.3 12.1 1.4 127 127 A Y H X S+ 0 0 5 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.873 108.3 53.2 -61.5 -39.7 15.1 10.4 2.4 128 128 A K H X S+ 0 0 51 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.871 108.3 51.2 -67.7 -33.1 15.0 8.2 -0.7 129 129 A Q H X S+ 0 0 125 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.909 110.7 48.2 -66.0 -42.4 18.5 7.0 0.1 130 130 A T H X S+ 0 0 8 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.934 110.3 52.5 -61.0 -46.1 17.4 6.2 3.6 131 131 A R H X S+ 0 0 7 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.930 111.6 45.4 -53.8 -48.9 14.4 4.4 2.1 132 132 A D H X S+ 0 0 76 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.874 112.0 51.8 -65.8 -38.3 16.6 2.3 -0.1 133 133 A E H X S+ 0 0 59 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.930 113.5 44.8 -60.8 -48.1 19.0 1.6 2.7 134 134 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.905 109.0 56.5 -62.2 -46.2 16.1 0.3 4.8 135 135 A E H X S+ 0 0 40 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.927 107.3 47.9 -54.1 -48.9 14.6 -1.7 2.0 136 136 A E H X S+ 0 0 139 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.891 114.9 45.6 -62.0 -41.6 17.8 -3.7 1.5 137 137 A L H X S+ 0 0 9 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.892 113.2 49.8 -66.7 -39.3 18.1 -4.4 5.2 138 138 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.822 105.8 55.3 -76.9 -31.4 14.5 -5.3 5.6 139 139 A R H X S+ 0 0 130 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.907 111.5 45.6 -62.0 -41.6 14.5 -7.7 2.7 140 140 A Q H X S+ 0 0 71 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.891 109.0 55.9 -67.3 -41.6 17.3 -9.6 4.4 141 141 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.917 105.3 52.7 -54.7 -46.3 15.6 -9.4 7.7 142 142 A A H X S+ 0 0 1 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.936 109.8 47.2 -55.8 -49.1 12.6 -11.2 6.2 143 143 A K H < S+ 0 0 116 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.866 113.8 49.2 -62.1 -36.9 14.7 -14.0 4.8 144 144 A Q H >< S+ 0 0 61 -4,-2.3 3,-2.6 1,-0.2 -2,-0.2 0.899 100.7 62.3 -70.9 -39.8 16.4 -14.3 8.2 145 145 A L H >< S+ 0 0 2 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.730 90.7 69.7 -60.9 -20.8 13.2 -14.4 10.1 146 146 A K T 3< S+ 0 0 104 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.704 91.3 61.5 -64.7 -20.6 12.3 -17.6 8.2 147 147 A K T < S+ 0 0 171 -3,-2.6 2,-0.6 -4,-0.2 -1,-0.3 0.319 83.5 100.8 -89.0 7.8 15.1 -19.3 10.2 148 148 A D S < S- 0 0 64 -3,-1.4 3,-0.5 -4,-0.1 2,-0.1 -0.850 70.0-135.0-102.5 119.1 13.4 -18.6 13.5 149 149 A R S S+ 0 0 230 -2,-0.6 -2,-0.1 1,-0.2 -3,-0.0 -0.389 90.9 23.8 -65.9 149.2 11.5 -21.5 15.2 150 150 A R 0 0 247 1,-0.1 -1,-0.2 -2,-0.1 0, 0.0 0.948 360.0 360.0 53.9 51.0 8.0 -20.5 16.4 151 151 A L 0 0 62 -3,-0.5 -1,-0.1 -5,-0.1 -119,-0.1 -0.440 360.0 360.0-101.4 360.0 7.8 -17.7 14.0