==== 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 LYASE 01-DEC-03 1VH8 . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNT . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR STRUCTURAL GENOMIX . 913 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 196 21.5 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 . 6 0.7 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 . 58 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.6 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 6 0 0 0 0 0 0 1 1 7 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 6 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 . 0 0 0 0 0 0 2 4 0 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 6 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 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 0 A S 0 0 49 0, 0.0 3,-0.1 0, 0.0 242,-0.0 0.000 360.0 360.0 360.0-174.3 68.7 77.8 157.0 2 1 A L + 0 0 136 1,-0.3 151,-1.4 150,-0.1 2,-0.3 0.618 360.0 20.7 -99.9 -20.4 65.6 75.7 157.4 3 2 A I E -A 152 0A 23 149,-0.2 -1,-0.3 50,-0.0 2,-0.3 -0.956 69.1-172.6-152.9 129.5 67.5 72.9 159.1 4 3 A R E -A 151 0A 0 147,-2.2 147,-3.2 -2,-0.3 2,-0.4 -0.945 10.6-149.3-127.8 147.4 70.8 72.9 161.0 5 4 A I E -A 150 0A 0 -2,-0.3 2,-0.3 145,-0.2 145,-0.2 -0.890 17.4-178.4-114.5 142.6 73.0 70.2 162.6 6 5 A G E -A 149 0A 0 143,-2.3 143,-2.2 -2,-0.4 2,-0.4 -0.964 10.8-155.2-139.5 157.5 75.2 70.6 165.6 7 6 A H E -A 148 0A 0 -2,-0.3 2,-0.3 41,-0.3 141,-0.2 -0.990 8.1-175.6-136.3 142.4 77.7 68.5 167.7 8 7 A G E +A 147 0A 0 139,-2.9 139,-2.7 -2,-0.4 2,-0.3 -0.989 5.1 178.9-138.2 146.6 78.9 68.6 171.3 9 8 A F E +A 146 0A 21 -2,-0.3 2,-0.3 137,-0.2 137,-0.2 -0.984 11.3 170.2-145.7 134.3 81.5 66.7 173.3 10 9 A D E -A 145 0A 16 135,-2.3 135,-2.0 -2,-0.3 2,-0.4 -0.990 15.4-156.2-147.9 154.1 82.4 67.3 176.9 11 10 A V E -A 144 0A 1 273,-0.5 2,-0.5 -2,-0.3 133,-0.2 -0.983 3.2-160.3-133.4 141.4 84.4 65.7 179.7 12 11 A H E -A 143 0A 39 131,-3.0 131,-2.0 -2,-0.4 2,-0.3 -0.953 12.2-154.5-123.1 113.6 84.3 65.9 183.5 13 12 A A E -A 142 0A 3 -2,-0.5 129,-0.3 129,-0.2 2,-0.1 -0.680 28.3-110.5 -84.3 137.9 87.4 64.9 185.4 14 13 A F + 0 0 90 127,-2.4 19,-0.7 -2,-0.3 2,-0.3 -0.381 41.9 174.2 -69.8 144.0 86.7 63.6 188.9 15 14 A G E -D 32 0B 32 17,-0.2 2,-0.3 -2,-0.1 17,-0.3 -0.965 16.8-143.7-145.6 159.1 87.9 65.8 191.8 16 15 A E E -D 31 0B 103 15,-2.9 15,-4.6 -2,-0.3 2,-0.5 -0.956 2.0-149.0-131.5 150.1 87.5 65.7 195.6 17 16 A D E +D 30 0B 117 -2,-0.3 13,-0.2 13,-0.3 -2,-0.0 -0.961 19.5 175.4-117.9 128.4 87.1 68.3 198.3 18 17 A R E -D 29 0B 148 11,-2.8 11,-3.2 -2,-0.5 2,-0.2 -0.996 27.9-122.2-135.8 140.5 88.4 67.8 201.8 19 18 A P E -D 28 0B 112 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.562 32.0-175.9 -79.9 142.4 88.5 70.1 204.9 20 19 A L E -D 27 0B 61 7,-3.0 7,-3.4 -2,-0.2 2,-0.6 -0.939 25.9-132.0-135.1 157.3 91.9 70.9 206.4 21 20 A I E +D 26 0B 126 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.951 34.6 166.2-112.0 111.9 93.2 72.8 209.4 22 21 A I E > -D 25 0B 107 3,-2.7 3,-1.3 -2,-0.6 -2,-0.1 -0.980 69.5 -5.4-130.9 119.6 96.0 75.2 208.4 23 22 A G T 3 S- 0 0 81 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.847 128.1 -60.9 67.8 32.9 97.2 78.0 210.7 24 23 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.381 117.7 113.8 74.8 -5.3 94.5 77.1 213.2 25 24 A V E < -D 22 0B 88 -3,-1.3 -3,-2.7 2,-0.0 2,-0.4 -0.854 69.3-125.9-106.1 132.7 92.0 78.0 210.4 26 25 A E E +D 21 0B 169 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.597 38.8 173.8 -74.3 123.4 89.6 75.5 208.7 27 26 A V E -D 20 0B 53 -7,-3.4 -7,-3.0 -2,-0.4 2,-0.3 -0.973 31.9-114.1-135.0 149.2 90.1 75.6 205.0 28 27 A P E -D 19 0B 106 0, 0.0 2,-0.5 0, 0.0 -11,-0.0 -0.626 25.3-159.4 -82.2 134.2 88.8 73.6 202.0 29 28 A Y E -D 18 0B 124 -11,-3.2 -11,-2.8 -2,-0.3 2,-0.5 -0.952 4.8-153.8-119.5 118.1 91.3 71.5 199.9 30 29 A H E -D 17 0B 75 -2,-0.5 2,-0.4 -13,-0.2 -13,-0.3 -0.765 5.5-163.1 -95.1 127.2 90.4 70.5 196.4 31 30 A T E +D 16 0B 46 -15,-4.6 -15,-2.9 -2,-0.5 2,-0.1 -0.871 56.1 5.1-106.7 138.8 92.0 67.4 194.8 32 31 A G E S-D 15 0B 47 -2,-0.4 -17,-0.2 -17,-0.3 -18,-0.1 -0.390 111.7 -1.6 89.7-169.8 91.9 66.8 191.1 33 32 A F S S- 0 0 54 -19,-0.7 2,-1.0 253,-0.2 -2,-0.1 -0.289 70.3-123.0 -60.7 134.5 90.6 69.1 188.3 34 33 A I - 0 0 107 -4,-0.1 2,-0.1 -19,-0.0 -1,-0.1 -0.706 30.2-150.7 -83.5 103.9 89.1 72.4 189.5 35 34 A A - 0 0 38 -2,-1.0 -23,-0.0 1,-0.1 3,-0.0 -0.438 20.5-170.2 -76.5 148.7 85.6 72.5 188.1 36 35 A H S S+ 0 0 153 -2,-0.1 2,-0.2 31,-0.1 -1,-0.1 -0.077 75.3 37.6-124.8 26.5 83.9 75.7 187.2 37 36 A S S S- 0 0 36 31,-0.1 31,-0.2 29,-0.0 32,-0.1 -0.855 101.1 -86.9-156.7-173.3 80.5 74.1 186.7 38 37 A D - 0 0 76 29,-0.6 3,-0.1 -2,-0.2 30,-0.1 0.436 62.2-118.0 -86.8 0.3 78.4 71.3 188.2 39 38 A G + 0 0 7 1,-0.2 2,-1.5 -28,-0.1 3,-0.1 0.584 53.8 164.6 75.4 11.0 80.2 68.9 185.8 40 39 A D > + 0 0 56 1,-0.2 4,-2.3 2,-0.1 -1,-0.2 -0.438 10.7 179.5 -67.6 93.6 77.0 68.0 184.0 41 40 A V H > S+ 0 0 4 -2,-1.5 4,-2.3 1,-0.2 5,-0.3 0.858 74.6 53.9 -65.5 -38.8 78.6 66.4 181.0 42 41 A A H > S+ 0 0 10 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 113.6 40.9 -65.6 -43.9 75.3 65.6 179.3 43 42 A L H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.871 113.5 54.1 -73.7 -35.6 74.0 69.1 179.4 44 43 A H H X S+ 0 0 10 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.960 112.5 42.7 -62.1 -49.7 77.3 70.7 178.5 45 44 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.912 115.6 50.0 -62.4 -41.6 77.7 68.6 175.4 46 45 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.887 109.8 51.4 -63.3 -38.9 74.0 69.2 174.5 47 46 A T H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.870 110.0 48.9 -66.7 -37.9 74.4 72.9 175.0 48 47 A D H X S+ 0 0 6 -4,-2.1 4,-2.1 1,-0.2 -41,-0.3 0.848 108.5 54.0 -71.4 -32.8 77.4 72.9 172.7 49 48 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 -43,-0.2 100,-0.2 0.893 110.5 45.2 -68.4 -40.2 75.6 71.0 170.0 50 49 A I H X S+ 0 0 1 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.897 115.7 45.5 -71.9 -39.8 72.6 73.4 169.9 51 50 A L H <>S+ 0 0 0 -4,-1.8 5,-3.3 1,-0.2 6,-0.5 0.887 113.6 52.9 -68.9 -35.7 74.9 76.5 169.9 52 51 A G H ><5S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.891 103.9 53.4 -65.9 -41.7 77.0 74.8 167.2 53 52 A A H 3<5S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -48,-0.2 0.816 114.0 43.7 -63.3 -29.8 74.1 74.0 164.9 54 53 A A T 3<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.346 114.1-117.5 -96.4 3.5 73.1 77.7 165.0 55 54 A A T < 5S+ 0 0 12 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.838 73.8 133.2 62.7 36.2 76.7 78.9 164.6 56 55 A L < - 0 0 50 -5,-3.3 2,-0.7 1,-0.2 -4,-0.2 0.274 64.6-125.0 -98.0 9.2 76.7 80.6 168.0 57 56 A G - 0 0 11 -6,-0.5 2,-0.3 -5,-0.1 -1,-0.2 -0.756 47.7 -47.7 92.5-115.6 80.0 79.1 169.1 58 57 A D > - 0 0 9 -2,-0.7 3,-0.8 -7,-0.1 4,-0.1 -0.919 59.2 -77.5-152.0 178.3 80.0 77.2 172.4 59 58 A I G > S+ 0 0 36 1,-0.3 3,-1.8 -2,-0.3 2,-0.7 0.782 111.5 78.9 -53.0 -29.4 79.0 77.2 176.0 60 59 A G G 3 S+ 0 0 59 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.101 92.2 50.5 -72.4 29.0 81.9 79.5 176.8 61 60 A K G < S+ 0 0 71 -3,-0.8 -1,-0.3 -2,-0.7 -2,-0.2 0.300 77.1 95.9-142.7 2.4 80.0 82.5 175.6 62 61 A L S < S+ 0 0 6 -3,-1.8 -2,-0.1 1,-0.3 -3,-0.1 0.772 100.0 15.9 -70.7 -27.1 76.6 82.3 177.3 63 62 A F 0 0 119 -4,-0.3 -1,-0.3 4,-0.0 4,-0.1 -0.672 360.0 360.0-151.1 90.1 77.5 84.6 180.2 64 63 A P 0 0 167 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.538 360.0 360.0 -76.4 360.0 80.6 86.9 179.8 65 ! 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 66 70 A K > 0 0 209 0, 0.0 3,-0.8 0, 0.0 7,-0.2 0.000 360.0 360.0 360.0-156.7 75.6 81.3 187.0 67 71 A N T 3 + 0 0 58 1,-0.2 -29,-0.6 5,-0.1 -31,-0.1 0.513 360.0 82.9 -81.5 -7.0 77.7 78.4 185.7 68 72 A A T 3 S+ 0 0 73 -31,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.771 91.5 53.6 -67.5 -24.9 77.2 76.4 188.8 69 73 A D X> - 0 0 70 -3,-0.8 4,-1.1 1,-0.1 3,-0.7 -0.937 67.2-166.1-117.3 112.7 73.9 75.2 187.3 70 74 A S H 3> S+ 0 0 0 -2,-0.6 4,-1.7 1,-0.2 -1,-0.1 0.585 84.6 65.5 -73.2 -11.5 74.0 73.7 183.8 71 75 A R H 3> S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.821 99.6 53.8 -79.1 -28.0 70.2 73.9 183.2 72 76 A G H <> S+ 0 0 19 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.927 109.3 46.7 -68.1 -45.2 70.5 77.7 183.3 73 77 A L H X S+ 0 0 4 -4,-1.1 4,-2.0 -7,-0.2 -2,-0.2 0.913 111.9 52.3 -62.1 -42.5 73.2 77.7 180.6 74 78 A L H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 3,-0.4 0.961 110.8 45.6 -58.2 -54.5 71.1 75.2 178.6 75 79 A R H X S+ 0 0 108 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.903 111.6 53.6 -55.6 -43.8 68.0 77.5 178.7 76 80 A E H X S+ 0 0 23 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.843 107.9 50.1 -60.9 -34.3 70.2 80.5 177.9 77 81 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 -3,-0.4 -1,-0.2 0.906 112.2 47.6 -70.8 -39.8 71.5 78.6 174.8 78 82 A F H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.875 106.9 56.7 -68.0 -37.5 67.9 77.8 173.8 79 83 A R H X S+ 0 0 109 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.961 111.4 43.6 -57.2 -50.9 66.8 81.4 174.3 80 84 A Q H X S+ 0 0 44 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.846 110.1 55.4 -63.3 -37.3 69.5 82.6 171.9 81 85 A V H ><>S+ 0 0 0 -4,-2.0 5,-1.9 1,-0.2 3,-0.9 0.902 108.2 48.8 -64.0 -40.9 68.8 79.8 169.4 82 86 A Q H ><5S+ 0 0 59 -4,-2.4 3,-2.8 1,-0.2 -1,-0.2 0.864 100.7 64.9 -65.8 -36.6 65.1 80.9 169.2 83 87 A E H 3<5S+ 0 0 138 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.741 101.8 50.4 -58.8 -22.1 66.2 84.5 168.7 84 88 A K T <<5S- 0 0 63 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.284 130.4 -97.9 -97.3 8.2 67.7 83.3 165.4 85 89 A G T < 5S+ 0 0 23 -3,-2.8 69,-1.7 1,-0.3 2,-0.3 0.566 80.0 129.1 90.8 11.0 64.4 81.6 164.5 86 90 A Y E < -B 153 0A 0 -5,-1.9 2,-0.3 67,-0.2 -1,-0.3 -0.680 30.4-179.8-104.9 156.1 65.1 78.0 165.5 87 91 A K E -B 152 0A 85 65,-2.7 65,-2.8 -2,-0.3 2,-0.2 -0.877 46.1 -77.6-137.4 164.7 63.3 75.5 167.6 88 92 A I E -B 151 0A 3 29,-0.4 63,-0.2 -2,-0.3 3,-0.1 -0.485 33.3-178.9 -74.0 133.4 64.4 71.9 168.3 89 93 A G E - 0 0 3 61,-3.1 2,-0.3 1,-0.4 62,-0.2 0.888 69.2 -53.5 -86.6 -63.2 63.9 69.2 165.7 90 94 A N E -B 150 0A 0 60,-1.3 60,-2.3 29,-0.0 -1,-0.4 -0.950 49.0-147.6-171.0 157.8 65.4 66.5 167.9 91 95 A V E -Bc 149 124A 0 32,-2.5 34,-1.9 -2,-0.3 2,-0.4 -0.962 2.8-162.3-134.7 152.4 68.5 65.7 170.0 92 96 A D E -Bc 148 125A 0 56,-2.2 56,-2.2 -2,-0.3 2,-0.4 -0.993 9.8-164.7-137.7 127.6 70.4 62.5 170.8 93 97 A I E -Bc 147 126A 0 32,-2.2 34,-2.1 -2,-0.4 2,-0.6 -0.936 6.8-163.2-119.5 135.6 72.8 62.2 173.7 94 98 A T E -Bc 146 127A 0 52,-3.1 52,-2.3 -2,-0.4 2,-0.4 -0.911 8.4-158.1-121.6 104.2 75.4 59.5 174.4 95 99 A I E -Bc 145 128A 9 32,-3.5 34,-2.8 -2,-0.6 2,-0.7 -0.653 5.4-156.2 -80.9 131.8 76.8 59.4 177.9 96 100 A I E +Bc 144 129A 8 48,-2.9 48,-2.2 -2,-0.4 2,-0.3 -0.891 35.2 136.2-113.7 100.8 80.2 57.6 178.1 97 101 A A - 0 0 8 32,-2.2 2,-2.1 -2,-0.7 46,-0.1 -0.999 61.2-122.7-148.1 147.7 80.8 56.2 181.5 98 102 A Q S S+ 0 0 37 39,-0.5 32,-0.1 44,-0.4 -2,-0.0 -0.440 78.2 111.4 -85.2 64.6 82.1 53.1 183.3 99 103 A A - 0 0 40 -2,-2.1 -2,-0.1 1,-0.2 3,-0.1 -0.866 54.1-152.0-134.9 166.7 78.9 52.8 185.2 100 104 A P S S+ 0 0 120 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.708 70.1 43.9-100.3 -97.1 75.8 50.5 185.3 101 105 A K + 0 0 77 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.424 59.9 117.4 -65.6 109.7 72.4 51.6 186.5 102 106 A X >> + 0 0 40 -2,-0.5 3,-1.9 -3,-0.1 4,-1.3 0.356 51.5 90.4-142.8 -19.4 71.3 55.0 185.0 103 107 A R H 3> S+ 0 0 90 1,-0.3 4,-0.8 -3,-0.3 3,-0.3 0.841 83.6 58.6 -52.2 -38.0 68.3 53.9 183.0 104 108 A P H 34 S+ 0 0 102 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.793 113.5 40.8 -63.9 -23.0 66.1 54.6 186.0 105 109 A H H <> S+ 0 0 115 -3,-1.9 4,-1.7 2,-0.1 -2,-0.2 0.607 95.5 81.9 -98.3 -15.4 67.4 58.1 185.7 106 110 A I H X S+ 0 0 10 -4,-1.3 4,-2.7 -3,-0.3 3,-0.5 0.949 90.8 47.6 -55.8 -58.3 67.3 58.5 182.0 107 111 A D H X S+ 0 0 98 -4,-0.8 4,-2.2 1,-0.3 -1,-0.2 0.854 110.1 54.1 -54.2 -37.8 63.7 59.4 181.6 108 112 A A H > S+ 0 0 54 -4,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.885 109.4 48.8 -64.8 -36.6 64.0 62.0 184.4 109 113 A X H X S+ 0 0 57 -4,-1.7 4,-2.5 -3,-0.5 -2,-0.2 0.937 109.2 52.9 -65.5 -46.7 66.9 63.5 182.4 110 114 A R H X S+ 0 0 35 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.877 108.2 50.0 -56.8 -41.8 64.8 63.5 179.3 111 115 A A H X S+ 0 0 49 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.934 110.5 49.1 -65.0 -46.3 61.9 65.4 180.9 112 116 A K H X S+ 0 0 107 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.920 115.5 44.2 -58.7 -44.8 64.2 68.0 182.4 113 117 A I H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.931 111.5 52.7 -65.9 -46.5 65.8 68.5 178.9 114 118 A A H <>S+ 0 0 9 -4,-3.2 5,-2.2 1,-0.2 4,-0.3 0.920 111.4 49.1 -54.6 -43.6 62.4 68.5 177.2 115 119 A E H ><5S+ 0 0 133 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.925 111.3 46.7 -62.8 -47.4 61.3 71.2 179.6 116 120 A D H 3<5S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.718 117.1 44.1 -69.1 -22.9 64.4 73.4 179.1 117 121 A L T 3<5S- 0 0 1 -4,-2.0 -29,-0.4 -5,-0.2 -1,-0.2 0.326 105.9-129.1-102.1 5.0 64.2 73.1 175.3 118 122 A Q T < 5S+ 0 0 133 -3,-1.0 2,-0.2 -4,-0.3 -3,-0.2 0.886 70.1 111.9 48.4 48.4 60.4 73.6 175.3 119 123 A C S - 0 0 90 -2,-0.2 3,-2.0 1,-0.1 4,-0.1 -0.574 32.5-124.4 -85.0 150.2 58.3 67.1 173.6 121 125 A I G > S+ 0 0 57 1,-0.3 3,-2.0 -2,-0.2 -1,-0.1 0.770 110.0 71.5 -61.7 -25.9 60.3 64.3 175.4 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0.885 102.7 53.5 -60.2 -43.7 81.2 60.8 154.5 208 52 B A H 3<5S+ 0 0 0 -4,-2.1 -48,-0.3 1,-0.3 -1,-0.2 0.805 112.0 46.1 -62.5 -30.4 77.8 62.5 154.1 209 53 B A T 3<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.378 114.1-118.9 -92.8 2.6 78.0 62.0 150.3 210 54 B A T < 5S+ 0 0 15 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.876 71.5 136.4 62.1 38.8 79.1 58.4 150.8 211 55 B L < - 0 0 42 -5,-2.9 2,-0.7 1,-0.2 -4,-0.2 0.102 65.7-118.1-101.9 21.1 82.4 59.1 149.1 212 56 B G - 0 0 11 -6,-0.3 2,-0.3 -5,-0.2 -1,-0.2 -0.709 47.8 -67.9 87.5-116.5 84.5 57.2 151.6 213 57 B D > - 0 0 5 -2,-0.7 3,-1.6 -7,-0.1 4,-0.1 -0.946 59.4 -61.8-163.6-178.4 87.1 59.3 153.4 214 58 B I G > S+ 0 0 44 1,-0.3 3,-1.4 -2,-0.3 4,-0.4 0.754 120.2 72.0 -47.5 -28.2 90.2 61.4 153.2 215 59 B G G 3 S+ 0 0 54 1,-0.3 -1,-0.3 221,-0.2 -3,-0.0 0.201 94.4 53.4 -77.8 19.4 92.0 58.2 152.2 216 60 B K G < S+ 0 0 86 -3,-1.6 -1,-0.3 -5,-0.0 -2,-0.2 0.172 84.8 85.7-135.7 15.9 90.3 58.3 148.8 217 61 B L S < S+ 0 0 12 -3,-1.4 -2,-0.1 1,-0.2 -3,-0.1 0.969 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1,-0.3 -1,-0.2 0.938 111.5 42.5 -59.2 -48.2 73.1 20.8 156.5 825 53 F A T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.318 116.6-116.8 -81.2 7.1 71.6 24.3 156.1 826 54 F A T < 5S+ 0 0 10 -3,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.887 71.3 138.6 57.8 42.6 71.5 23.7 152.3 827 55 F L < - 0 0 42 -5,-3.6 2,-0.8 1,-0.2 -4,-0.2 0.005 64.2-119.3-104.0 25.9 73.9 26.5 151.7 828 56 F G - 0 0 17 -6,-0.3 2,-0.3 -5,-0.2 -1,-0.2 -0.643 51.9 -57.5 81.9-110.5 75.9 24.6 149.0 829 57 F D >> - 0 0 7 -2,-0.8 3,-3.2 -7,-0.1 4,-0.7 -0.969 58.4 -72.9-163.5 172.4 79.5 24.1 150.0 830 58 F I G >4 S+ 0 0 38 1,-0.3 3,-0.9 -2,-0.3 4,-0.4 0.781 121.2 67.5 -43.8 -34.7 82.7 25.9 151.0 831 59 F G G 34 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.701 99.9 48.3 -63.3 -20.4 83.1 27.0 147.4 832 60 F K G <4 S+ 0 0 66 -3,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.634 83.1 96.2 -93.7 -16.7 80.0 29.3 147.6 833 61 F L S << S+ 0 0 4 -3,-0.9 -2,-0.1 -4,-0.7 -1,-0.1 0.872 95.4 28.3 -37.2 -61.1 81.1 31.0 150.9 834 62 F F 0 0 103 -4,-0.4 -1,-0.3 -3,-0.1 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