==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-SEP-99 1QM6 . COMPND 2 MOLECULE: PHOSPHOLIPASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR C.E.NAYLOR,J.MILLER,R.W.TITBALL,A.K.BASAK . 740 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 69.9 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 . 108 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 48 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 0 0 2 0 2 4 0 0 2 0 0 0 4 0 2 0 0 0 2 0 0 0 0 0 0 0 2 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 . 9 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 W 0 0 0 0, 0.0 2,-0.1 0, 0.0 152,-0.1 0.000 360.0 360.0 360.0 157.9 -18.0 76.7 92.0 2 2 A D + 0 0 4 150,-0.5 9,-2.0 146,-0.0 2,-0.3 -0.477 360.0 160.8 -82.7 158.7 -20.2 76.3 88.9 3 3 A G - 0 0 0 7,-0.2 2,-0.3 6,-0.2 6,-0.2 -0.965 28.9-127.6-167.8 164.9 -24.0 76.3 89.3 4 4 A K B >> -A 8 0A 83 4,-2.6 3,-1.8 -2,-0.3 4,-0.6 -0.944 25.3-118.0-126.2 150.0 -27.2 76.7 87.3 5 5 A I T 34 S+ 0 0 100 -2,-0.3 48,-0.1 1,-0.3 49,-0.1 0.741 108.5 66.9 -57.7 -23.9 -30.3 78.9 88.0 6 6 A D T 34 S- 0 0 94 1,-0.1 -1,-0.3 47,-0.1 44,-0.1 0.334 123.4 -98.3 -81.5 11.3 -32.6 75.9 88.3 7 7 A G T <4 S+ 0 0 1 -3,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.776 88.3 114.3 81.9 22.8 -30.9 74.9 91.4 8 8 A T B < +A 4 0A 68 -4,-0.6 -4,-2.6 42,-0.1 -1,-0.3 -0.766 37.9 61.5-118.9 171.0 -28.6 72.3 89.9 9 9 A G S >> S- 0 0 5 -2,-0.3 4,-2.2 -6,-0.2 3,-0.7 -0.481 99.3 -38.6 109.2-179.7 -24.8 72.0 89.5 10 10 A T H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -7,-0.2 0.877 132.0 54.1 -49.0 -48.9 -21.8 71.9 91.7 11 11 A H H 3> S+ 0 0 4 -9,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.855 110.3 46.1 -55.4 -42.0 -23.2 74.4 94.2 12 12 A A H <> S+ 0 0 5 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.868 109.8 54.6 -70.9 -36.9 -26.4 72.4 94.7 13 13 A M H X S+ 0 0 17 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.939 107.3 50.8 -61.4 -45.6 -24.4 69.2 95.1 14 14 A I H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.941 114.0 43.4 -58.0 -48.3 -22.3 70.6 97.9 15 15 A V H X S+ 0 0 1 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.873 113.1 51.9 -68.7 -35.0 -25.4 71.8 99.8 16 16 A T H X S+ 0 0 36 -4,-2.6 4,-1.7 1,-0.2 3,-0.4 0.915 113.1 44.8 -66.4 -44.7 -27.3 68.5 99.2 17 17 A Q H X S+ 0 0 25 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.820 102.5 66.7 -69.4 -31.0 -24.3 66.5 100.5 18 18 A G H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.903 105.1 44.4 -55.8 -37.3 -24.0 69.0 103.4 19 19 A V H X S+ 0 0 5 -4,-1.2 4,-2.9 -3,-0.4 -2,-0.2 0.939 111.6 50.3 -74.2 -44.8 -27.4 67.6 104.5 20 20 A S H X S+ 0 0 40 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.919 107.6 56.0 -57.8 -43.7 -26.6 63.9 104.0 21 21 A I H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 3,-0.5 0.950 110.9 43.2 -52.8 -49.9 -23.4 64.4 105.9 22 22 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.900 108.1 60.2 -63.8 -40.2 -25.4 65.7 108.9 23 23 A E H < S+ 0 0 71 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.839 115.9 33.3 -56.5 -35.2 -28.0 62.9 108.4 24 24 A N H < S+ 0 0 86 -4,-2.0 -1,-0.2 -3,-0.5 -2,-0.2 0.744 121.3 45.3 -94.7 -26.4 -25.2 60.3 109.0 25 25 A D H < S+ 0 0 4 -4,-2.3 146,-2.5 -5,-0.2 147,-0.3 0.705 77.5 113.0 -89.9 -24.0 -23.0 62.1 111.5 26 26 A L < - 0 0 25 -4,-2.3 144,-0.0 -5,-0.2 -4,-0.0 -0.325 67.3-132.9 -53.2 114.8 -25.6 63.5 113.9 27 27 A S > - 0 0 11 -2,-0.1 3,-1.0 1,-0.1 -1,-0.1 -0.167 16.5-108.5 -67.3 169.1 -25.0 61.5 117.1 28 28 A K T 3 S+ 0 0 203 1,-0.2 -1,-0.1 144,-0.0 -2,-0.1 0.867 112.4 55.7 -70.9 -34.9 -27.9 59.9 119.1 29 29 A N T 3 S+ 0 0 133 2,-0.0 -1,-0.2 3,-0.0 3,-0.1 0.248 76.6 127.0 -85.0 16.5 -27.9 62.3 122.1 30 30 A E S < S- 0 0 15 -3,-1.0 5,-0.1 1,-0.1 142,-0.0 -0.444 73.7 -89.6 -69.6 144.2 -28.4 65.4 119.9 31 31 A P > - 0 0 46 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.197 28.2-124.6 -57.0 143.2 -31.4 67.5 121.0 32 32 A E H > S+ 0 0 123 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.903 110.1 60.5 -55.2 -42.0 -34.7 66.7 119.3 33 33 A S H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 105.4 46.5 -53.9 -44.7 -35.0 70.3 118.1 34 34 A V H > S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.938 115.4 47.6 -63.7 -44.3 -31.8 70.0 116.1 35 35 A R H X S+ 0 0 95 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.890 115.3 43.6 -65.4 -41.5 -33.0 66.7 114.7 36 36 A K H X S+ 0 0 125 -4,-3.6 4,-1.4 2,-0.2 -1,-0.2 0.814 111.8 52.9 -75.4 -30.6 -36.5 68.0 113.9 37 37 A N H X S+ 0 0 21 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.838 105.0 56.4 -71.5 -30.7 -35.2 71.2 112.4 38 38 A L H X S+ 0 0 3 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.923 104.3 53.4 -65.0 -38.9 -32.9 69.1 110.2 39 39 A E H X S+ 0 0 81 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.866 107.0 51.6 -62.4 -37.4 -36.1 67.4 108.9 40 40 A I H X S+ 0 0 40 -4,-1.4 4,-0.5 2,-0.2 -1,-0.2 0.841 109.4 50.1 -67.3 -34.2 -37.6 70.7 108.0 41 41 A L H >< S+ 0 0 0 -4,-1.6 3,-1.3 1,-0.2 7,-0.2 0.943 109.3 51.0 -69.1 -45.9 -34.4 71.6 106.1 42 42 A K H >< S+ 0 0 104 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.816 107.1 54.0 -61.4 -33.2 -34.5 68.3 104.2 43 43 A E H 3< S+ 0 0 141 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.644 110.9 46.8 -75.6 -17.0 -38.2 69.0 103.2 44 44 A N T XX S+ 0 0 25 -3,-1.3 4,-1.8 -4,-0.5 3,-0.7 0.048 75.1 127.9-109.8 23.3 -37.1 72.4 101.8 45 45 A M H <> + 0 0 33 -3,-1.1 4,-2.8 1,-0.3 5,-0.2 0.857 67.7 57.3 -46.6 -46.8 -34.1 70.9 99.9 46 46 A H H 3> S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.912 107.0 47.7 -55.6 -45.8 -35.1 72.5 96.7 47 47 A E H <> S+ 0 0 53 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.867 109.8 53.4 -63.1 -38.2 -35.0 76.0 98.2 48 48 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 -7,-0.2 -2,-0.2 0.935 111.4 47.0 -62.3 -41.8 -31.6 75.2 99.7 49 49 A Q H X S+ 0 0 43 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.894 111.5 49.6 -67.4 -39.8 -30.5 74.2 96.2 50 50 A L H X S+ 0 0 39 -4,-2.5 4,-2.1 1,-0.2 3,-0.4 0.902 112.8 47.6 -66.9 -39.4 -31.9 77.3 94.6 51 51 A G H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.923 104.8 61.0 -67.0 -39.0 -30.2 79.5 97.2 52 52 A S H < S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.766 117.8 28.5 -60.5 -24.7 -27.0 77.6 96.7 53 53 A T H >< S+ 0 0 0 -4,-1.1 3,-1.6 -3,-0.4 -1,-0.2 0.674 96.6 89.6-109.7 -20.9 -26.9 78.7 93.0 54 54 A Y G >X S+ 0 0 57 -4,-2.1 3,-2.2 1,-0.3 4,-1.3 0.739 70.6 71.5 -51.8 -38.6 -28.7 82.0 93.0 55 55 A P G 34 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.696 94.6 55.8 -57.3 -17.3 -25.9 84.4 93.6 56 56 A D G <4 S+ 0 0 6 -3,-1.6 -2,-0.2 1,-0.1 10,-0.1 0.471 118.2 33.1 -92.1 -0.4 -24.4 83.8 90.1 57 57 A Y T <4 S+ 0 0 55 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.1 0.404 78.8 137.7-132.2 -0.6 -27.7 84.8 88.5 58 58 A D < - 0 0 44 -4,-1.3 3,-0.2 1,-0.2 -4,-0.0 -0.299 25.0-179.9 -57.2 112.2 -29.0 87.4 90.8 59 59 A K + 0 0 177 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.359 68.8 73.4 -95.1 -0.5 -30.4 90.2 88.6 60 60 A N S S+ 0 0 67 243,-0.1 244,-2.1 2,-0.1 -1,-0.2 -0.408 82.8 77.2-111.1 51.4 -31.6 92.4 91.4 61 61 A A S S- 0 0 24 -3,-0.2 239,-0.4 242,-0.2 -2,-0.1 0.232 108.7 -48.5-120.5-112.2 -28.1 93.6 92.6 62 62 A Y - 0 0 31 2,-0.1 235,-1.9 237,-0.1 -3,-0.1 0.212 68.7-109.5-121.1 14.1 -26.0 96.3 91.0 63 63 A D S S+ 0 0 140 1,-0.2 2,-0.2 233,-0.2 -4,-0.1 0.931 73.0 135.0 57.6 51.3 -26.0 95.3 87.3 64 64 A L - 0 0 93 232,-0.1 2,-0.4 233,-0.1 -1,-0.2 -0.781 64.4 -89.2-124.5 167.4 -22.3 94.2 87.3 65 65 A Y - 0 0 49 -2,-0.2 81,-0.1 449,-0.2 2,-0.1 -0.659 50.7-115.7 -78.5 128.5 -20.3 91.3 86.0 66 66 A Q + 0 0 49 -2,-0.4 2,-0.3 79,-0.3 -1,-0.1 -0.362 42.1 164.5 -66.3 138.5 -20.1 88.5 88.6 67 67 A D - 0 0 72 -2,-0.1 81,-0.1 75,-0.0 80,-0.1 -0.804 11.9-179.7-155.3 114.4 -16.7 87.7 90.1 68 68 A H + 0 0 14 79,-0.4 2,-0.5 -2,-0.3 -2,-0.0 -0.191 44.5 111.0-115.8 46.3 -16.5 85.7 93.3 69 69 A F + 0 0 29 62,-0.0 2,-0.3 68,-0.0 62,-0.1 -0.963 35.1 161.4-125.0 116.2 -12.8 85.5 93.9 70 70 A W - 0 0 67 -2,-0.5 65,-0.1 65,-0.1 -2,-0.0 -0.936 46.2-100.4-131.4 154.0 -11.2 87.3 96.7 71 71 A D > - 0 0 64 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 -0.559 38.9-121.6 -70.3 135.4 -7.9 87.0 98.5 72 72 A P T 3 S+ 0 0 11 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.683 109.2 54.8 -53.2 -21.9 -8.5 85.1 101.8 73 73 A D T 3> S+ 0 0 43 1,-0.2 4,-2.7 2,-0.1 5,-0.2 0.457 78.0 98.5 -92.8 -2.1 -7.2 88.0 104.0 74 74 A T H <> S+ 0 0 25 -3,-2.2 4,-2.4 1,-0.2 5,-0.2 0.922 84.1 45.2 -49.6 -54.8 -9.5 90.7 102.5 75 75 A D H > S+ 0 0 19 -4,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.879 113.1 50.5 -59.0 -43.7 -12.1 90.6 105.3 76 76 A N H >> S+ 0 0 48 -4,-0.3 4,-1.0 1,-0.2 3,-0.6 0.934 111.0 49.2 -62.5 -45.7 -9.4 90.6 108.0 77 77 A N H >< S+ 0 0 83 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.903 108.6 52.1 -59.7 -46.7 -7.7 93.7 106.4 78 78 A F H 3< S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.711 107.6 55.7 -63.4 -21.1 -11.0 95.6 106.1 79 79 A S H << S+ 0 0 36 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.732 84.2 100.9 -84.5 -25.6 -11.6 94.9 109.8 80 80 A K S << S- 0 0 103 -4,-1.0 3,-0.1 -3,-0.7 2,-0.1 -0.200 83.5 -98.0 -58.4 152.7 -8.3 96.4 111.1 81 81 A D S S+ 0 0 76 1,-0.2 2,-1.4 2,-0.1 -1,-0.1 -0.377 100.2 7.9 -71.9 152.6 -8.4 99.9 112.6 82 82 A N S S+ 0 0 167 1,-0.2 2,-0.7 2,-0.2 -1,-0.2 -0.053 94.2 109.4 71.3 -33.8 -7.4 102.9 110.4 83 83 A S S S+ 0 0 72 -2,-1.4 2,-0.3 -6,-0.1 -1,-0.2 0.209 75.6 49.6 -60.1 16.8 -7.2 100.8 107.2 84 84 A W S S- 0 0 73 -2,-0.7 2,-1.2 -5,-0.1 -2,-0.2 -0.970 81.4-118.5-161.8 138.9 -10.3 102.4 105.8 85 85 A Y > - 0 0 153 -2,-0.3 3,-2.4 1,-0.2 -2,-0.1 -0.712 33.1-151.2 -77.9 98.8 -11.8 105.9 105.2 86 86 A L T 3 S+ 0 0 45 -2,-1.2 224,-0.3 1,-0.3 -1,-0.2 0.577 86.3 71.9 -50.8 -17.4 -14.9 105.4 107.4 87 87 A A T 3 S+ 0 0 30 203,-0.1 204,-2.7 222,-0.1 2,-0.4 0.785 92.1 71.5 -72.1 -21.9 -17.2 107.7 105.4 88 88 A Y B < S-b 291 0B 117 -3,-2.4 222,-0.3 202,-0.2 204,-0.1 -0.756 91.3-117.3 -96.4 135.2 -17.2 105.0 102.7 89 89 A S - 0 0 9 202,-1.1 220,-0.2 -2,-0.4 -4,-0.1 -0.308 35.4-104.9 -65.9 151.7 -19.1 101.8 103.2 90 90 A I B -F 308 0C 7 218,-3.0 218,-0.8 1,-0.1 -1,-0.1 -0.619 38.4-110.2 -79.2 138.4 -17.0 98.6 103.3 91 91 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.253 35.4-100.7 -65.9 157.2 -17.2 96.4 100.1 92 92 A D - 0 0 33 214,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.625 40.4-173.7 -82.3 132.4 -19.0 93.0 100.3 93 93 A T > - 0 0 5 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.788 39.0-113.6-119.1 163.7 -16.8 90.0 100.5 94 94 A G H > S+ 0 0 1 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.929 120.6 56.2 -62.0 -37.3 -17.8 86.3 100.4 95 95 A E H > S+ 0 0 10 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.920 111.2 40.9 -60.1 -43.1 -16.7 86.2 104.0 96 96 A S H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.806 109.9 59.1 -77.6 -28.8 -19.1 89.0 105.0 97 97 A Q H X S+ 0 0 20 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.818 99.7 58.0 -68.0 -30.8 -21.9 87.6 102.7 98 98 A I H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.953 110.8 43.0 -63.5 -46.4 -21.8 84.3 104.7 99 99 A R H X S+ 0 0 23 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.895 113.7 50.3 -66.5 -40.9 -22.5 86.3 107.9 100 100 A K H X S+ 0 0 13 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.965 115.2 41.1 -64.8 -52.9 -25.2 88.5 106.3 101 101 A F H X S+ 0 0 7 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.779 113.2 55.3 -67.1 -25.8 -27.2 85.6 104.8 102 102 A S H X S+ 0 0 4 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.876 109.1 47.5 -73.3 -36.9 -26.7 83.6 107.9 103 103 A A H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 248,-0.3 0.915 112.9 47.8 -68.7 -43.4 -28.2 86.4 110.0 104 104 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.871 111.1 52.8 -64.5 -38.0 -31.1 86.8 107.6 105 105 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.902 110.0 46.4 -65.6 -41.9 -31.6 83.0 107.7 106 106 A R H X S+ 0 0 9 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.901 111.6 51.5 -67.9 -40.9 -31.8 82.8 111.5 107 107 A Y H < S+ 0 0 58 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.902 112.5 46.3 -61.9 -43.8 -34.2 85.7 111.7 108 108 A E H ><>S+ 0 0 9 -4,-2.0 5,-1.9 1,-0.2 3,-0.7 0.863 109.1 53.3 -68.6 -39.2 -36.5 84.1 109.2 109 109 A W H ><5S+ 0 0 8 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.842 105.2 55.7 -65.8 -35.1 -36.5 80.7 110.8 110 110 A Q T 3<5S+ 0 0 115 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.665 106.9 49.3 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82.3 111.2 190 190 A K H X S+ 0 0 66 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.951 116.3 37.1 -53.0 -52.8 -14.2 84.5 110.4 191 191 A E H X S+ 0 0 134 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.834 117.7 51.9 -71.2 -34.3 -11.7 82.1 111.8 192 192 A Y H X S+ 0 0 28 -4,-2.8 4,-1.1 -5,-0.2 3,-0.3 0.960 113.6 41.6 -67.6 -50.7 -13.5 79.0 110.5 193 193 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.868 106.7 60.8 -68.3 -38.9 -13.9 80.2 106.9 194 194 A R H X S+ 0 0 55 -4,-1.9 4,-2.9 -5,-0.4 5,-0.3 0.861 100.7 57.4 -55.9 -38.8 -10.3 81.7 106.6 195 195 A G H X S+ 0 0 39 -4,-1.0 4,-2.1 -3,-0.3 -1,-0.2 0.949 110.5 41.0 -57.8 -49.2 -8.9 78.2 107.3 196 196 A F H X S+ 0 0 25 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.902 116.6 50.7 -65.8 -40.6 -10.8 76.7 104.3 197 197 A A H X S+ 0 0 2 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.849 110.5 47.5 -67.5 -37.0 -10.0 79.7 102.2 198 198 A K H X S+ 0 0 80 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.912 110.8 51.0 -71.4 -41.7 -6.3 79.7 102.9 199 199 A T H X S+ 0 0 66 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.914 110.4 52.5 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0.720 107.7 55.4 -61.2 -21.8 -11.5 77.7 55.5 450 79 B S H << S+ 0 0 34 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.730 84.5 101.0 -84.3 -25.4 -12.0 78.4 51.8 451 80 B K S << S- 0 0 103 -4,-1.0 3,-0.1 -3,-0.8 2,-0.0 -0.203 83.5 -97.9 -58.8 152.8 -8.8 76.7 50.5 452 81 B D S S+ 0 0 73 1,-0.2 2,-1.4 2,-0.1 -1,-0.1 -0.367 100.2 7.7 -72.2 153.1 -9.1 73.2 49.0 453 82 B N S S+ 0 0 167 1,-0.2 2,-0.7 2,-0.2 -1,-0.2 -0.044 94.2 109.6 70.5 -32.9 -8.3 70.2 51.2 454 83 B S S S+ 0 0 74 -2,-1.4 2,-0.3 -6,-0.2 -1,-0.2 0.215 75.7 48.7 -60.9 17.4 -8.0 72.3 54.4 455 84 B W S S- 0 0 76 -2,-0.7 2,-1.1 -5,-0.1 -2,-0.2 -0.969 82.0-117.2-162.7 140.1 -11.2 70.8 55.8 456 85 B Y > - 0 0 153 -2,-0.3 3,-2.2 1,-0.2 -2,-0.1 -0.727 33.1-150.8 -79.3 100.2 -12.9 67.5 56.4 457 86 B L T 3 S+ 0 0 50 -2,-1.1 224,-0.2 1,-0.3 -1,-0.2 0.599 86.8 71.2 -50.9 -19.6 -16.0 68.1 54.2 458 87 B A T 3 S+ 0 0 29 203,-0.1 204,-3.4 222,-0.1 2,-0.4 0.788 92.3 71.9 -70.4 -22.9 -18.3 65.9 56.2 459 88 B Y B < S-m 662 0G 116 -3,-2.2 222,-0.3 202,-0.2 204,-0.1 -0.769 91.1-117.4 -96.5 133.7 -18.2 68.6 58.9 460 89 B S - 0 0 7 202,-1.4 220,-0.2 -2,-0.4 -4,-0.1 -0.283 35.4-104.8 -64.6 150.7 -19.9 72.0 58.3 461 90 B I B -Q 679 0H 7 218,-3.2 218,-0.8 1,-0.1 -1,-0.1 -0.611 38.4-110.1 -78.5 137.6 -17.7 75.0 58.3 462 91 B P - 0 0 47 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.238 35.9-100.5 -64.4 156.5 -17.7 77.2 61.5 463 92 B D - 0 0 30 214,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.642 40.5-173.1 -82.0 131.8 -19.3 80.7 61.3 464 93 B T > - 0 0 4 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.774 38.5-114.0-118.0 164.0 -17.0 83.7 61.0 465 94 B G H > S+ 0 0 1 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.939 120.6 55.7 -61.4 -39.4 -17.7 87.4 61.2 466 95 B E H > S+ 0 0 10 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.912 111.3 41.1 -58.7 -44.2 -16.7 87.4 57.6 467 96 B S H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.809 110.0 58.8 -76.2 -29.0 -19.2 84.8 56.6 468 97 B Q H X S+ 0 0 20 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.802 99.8 58.3 -68.7 -30.6 -22.0 86.3 58.8 469 98 B I H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.952 110.8 42.6 -62.8 -46.4 -21.6 89.5 56.9 470 99 B R H X S+ 0 0 20 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.895 113.8 50.8 -67.1 -41.5 -22.5 87.6 53.7 471 100 B K H X S+ 0 0 13 -4,-2.4 4,-2.3 1,-0.2 3,-0.2 0.968 114.9 41.0 -63.7 -54.0 -25.3 85.6 55.3 472 101 B F H X S+ 0 0 7 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.774 113.0 55.7 -66.4 -26.0 -27.1 88.5 56.8 473 102 B S H X S+ 0 0 4 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.877 109.0 47.4 -72.4 -36.1 -26.5 90.6 53.6 474 103 B A H X S+ 0 0 2 -4,-2.1 4,-2.2 -3,-0.2 248,-0.3 0.920 113.0 47.7 -68.9 -45.3 -28.2 87.8 51.6 475 104 B L H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.887 111.3 52.7 -62.8 -38.3 -31.1 87.6 54.0 476 105 B A H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.911 110.3 45.8 -65.7 -41.9 -31.4 91.4 53.9 477 106 B R H X S+ 0 0 10 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.906 111.7 52.0 -67.9 -41.7 -31.6 91.6 50.1 478 107 B Y H < S+ 0 0 58 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.896 112.5 46.0 -60.5 -43.3 -34.1 88.8 49.8 479 108 B E H ><>S+ 0 0 9 -4,-2.0 5,-1.9 1,-0.2 3,-0.6 0.849 109.1 53.4 -70.0 -37.3 -36.4 90.5 52.4 480 109 B W H ><5S+ 0 0 8 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.856 105.3 55.5 -66.2 -36.8 -36.1 94.0 50.8 481 110 B Q T 3<5S+ 0 0 112 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.670 107.0 49.4 -71.3 -16.8 -37.2 92.6 47.4 482 111 B R T < 5S- 0 0 114 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.221 122.6-104.6-105.4 13.5 -40.3 91.1 48.9 483 112 B G T < 5S+ 0 0 34 -3,-1.2 2,-2.0 1,-0.1 3,-0.2 0.372 80.1 132.1 82.6 -2.7 -41.2 94.4 50.6 484 113 B N >< + 0 0 73 -5,-1.9 4,-2.6 1,-0.2 5,-0.2 -0.422 22.1 162.7 -83.4 70.6 -40.3 93.4 54.2 485 114 B Y H > + 0 0 89 -2,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.767 68.3 51.7 -59.1 -35.6 -38.2 96.6 54.9 486 115 B K H > S+ 0 0 139 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.912 114.2 42.5 -70.8 -44.2 -38.2 96.3 58.7 487 116 B Q H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.921 115.0 52.4 -67.8 -39.6 -36.9 92.7 58.7 488 117 B A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.904 109.4 48.2 -61.7 -45.5 -34.5 93.6 55.9 489 118 B T H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 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2,-0.2 -2,-0.2 0.914 107.5 51.2 -69.5 -39.7 -18.2 94.0 60.0 500 129 B G H < S+ 0 0 0 -4,-2.3 3,-0.3 2,-0.2 -2,-0.2 0.906 108.1 54.8 -61.0 -41.0 -17.6 96.3 63.0 501 130 B D H >< S+ 0 0 2 -4,-1.6 3,-2.5 1,-0.3 -2,-0.2 0.953 107.2 45.4 -57.9 -55.7 -16.4 93.3 64.9 502 131 B I H 3< S+ 0 0 17 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.720 112.1 55.6 -64.1 -16.7 -13.7 92.2 62.4 503 132 B D T 3< S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.385 84.5 103.8 -91.6 -0.3 -12.8 96.0 62.3 504 133 B T S < S- 0 0 1 -3,-2.5 2,-2.2 -5,-0.1 88,-0.1 -0.759 77.1-131.6 -85.6 121.4 -12.3 96.0 66.1 505 134 B P + 0 0 0 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.398 66.0 117.3 -73.6 70.7 -8.6 96.0 66.9 506 135 B Y + 0 0 27 -2,-2.2 -2,-0.1 -65,-0.1 66,-0.1 -0.897 21.6 147.5-139.5 105.0 -8.5 93.2 69.5 507 136 B H + 0 0 25 -2,-0.4 2,-0.1 65,-0.1 -1,-0.1 -0.129 13.4 144.3-135.5 44.7 -6.5 90.0 68.6 508 137 B P - 0 0 31 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.468 54.2-125.7 -80.7 155.3 -4.9 88.3 71.6 509 138 B A S S+ 0 0 99 1,-0.2 2,-0.6 -2,-0.1 0, 0.0 0.982 103.4 42.3 -60.3 -50.4 -4.6 84.5 71.8 510 139 B N S S- 0 0 138 -3,-0.0 -1,-0.2 2,-0.0 2,-0.1 -0.853 83.6-145.9-107.1 117.1 -6.5 84.6 75.1 511 140 B V - 0 0 29 -2,-0.6 2,-0.5 -3,-0.1 -2,-0.0 -0.431 2.2-152.5 -79.1 145.6 -9.5 86.9 75.6 512 141 B T - 0 0 64 -2,-0.1 9,-0.5 -371,-0.1 2,-0.2 -0.874 17.0-157.0-121.6 94.7 -10.3 88.7 78.9 513 142 B A B -U 520 0I 14 -2,-0.5 -371,-0.4 -371,-0.4 7,-0.2 -0.520 14.5-175.0 -75.6 137.0 -14.1 89.3 79.0 514 143 B V + 0 0 43 5,-3.0 2,-0.3 -2,-0.2 -449,-0.2 0.534 65.0 30.6-108.3 -12.1 -15.4 92.1 81.2 515 144 B D S > S- 0 0 33 4,-0.8 3,-1.5 -451,-0.1 4,-0.1 -0.895 85.7 -99.2-139.2 173.4 -19.2 91.6 80.9 516 145 B S T 3 S+ 0 0 59 -2,-0.3 -79,-0.3 1,-0.3 -371,-0.1 0.606 116.7 61.0 -65.3 -18.4 -21.8 88.9 80.3 517 146 B A T 3 S- 0 0 10 -81,-0.1 -1,-0.3 -372,-0.1 -372,-0.1 0.255 118.7-106.2 -93.5 8.4 -22.1 89.8 76.6 518 147 B G < + 0 0 7 -3,-1.5 -79,-0.4 1,-0.2 2,-0.1 0.770 66.4 151.3 75.0 27.3 -18.5 88.9 76.0 519 148 B H - 0 0 2 -81,-0.1 -5,-3.0 -4,-0.1 -4,-0.8 -0.497 31.8-143.3 -86.9 162.7 -17.1 92.5 75.6 520 149 B V B >> -U 513 0I 1 -7,-0.2 4,-1.8 -6,-0.2 3,-0.5 -0.827 28.2 -97.7-122.1 166.0 -13.5 93.4 76.5 521 150 B K H 3> S+ 0 0 108 -9,-0.5 4,-1.8 -2,-0.3 5,-0.2 0.795 117.7 56.9 -54.3 -37.5 -11.9 96.4 78.0 522 151 B F H 3> S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.950 109.2 48.1 -61.2 -43.3 -10.8 98.1 74.8 523 152 B E H <> S+ 0 0 3 -3,-0.5 4,-2.3 1,-0.2 -150,-0.4 0.888 111.4 48.1 -62.5 -43.6 -14.4 98.1 73.6 524 153 B T H X S+ 0 0 43 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.773 110.0 54.6 -70.0 -24.0 -15.8 99.5 76.8 525 154 B F H X S+ 0 0 11 -4,-1.8 4,-0.6 -5,-0.2 -2,-0.2 0.917 109.9 44.9 -72.2 -45.3 -13.1 102.2 76.7 526 155 B A H >X S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 4,-0.6 0.889 107.0 63.9 -64.9 -34.7 -14.2 103.1 73.2 527 156 B E H >< S+ 0 0 30 -4,-2.3 3,-0.8 1,-0.3 4,-0.2 0.874 99.6 49.1 -57.9 -43.0 -17.8 103.0 74.4 528 157 B E H 3< S+ 0 0 140 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.700 120.9 37.6 -75.4 -9.4 -17.4 105.8 76.9 529 158 B R H XX 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