==== 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 1VHA . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNT . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR STRUCTURAL GENOMIX . 914 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 633 69.3 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 . 195 21.3 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 . 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 . 59 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 23.6 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 6 10 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 3 3 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 44 0, 0.0 3,-0.1 0, 0.0 242,-0.0 0.000 360.0 360.0 360.0-177.9 68.5 77.8 157.1 2 1 A L + 0 0 136 1,-0.4 151,-1.3 150,-0.1 2,-0.3 0.616 360.0 21.9-103.0 -21.5 65.5 75.6 157.5 3 2 A I E -A 152 0A 21 149,-0.2 2,-0.4 50,-0.0 -1,-0.4 -0.979 68.1-173.9-149.7 133.6 67.4 72.8 159.2 4 3 A R E -A 151 0A 1 147,-2.1 147,-3.6 -2,-0.3 2,-0.4 -0.981 10.9-150.3-133.4 143.7 70.7 72.8 161.1 5 4 A I E -A 150 0A 0 -2,-0.4 2,-0.3 145,-0.2 145,-0.2 -0.882 16.6-177.7-112.7 141.0 72.9 70.1 162.7 6 5 A G E -A 149 0A 0 143,-2.4 143,-2.2 -2,-0.4 2,-0.4 -0.951 10.3-156.1-136.2 157.4 75.1 70.5 165.7 7 6 A H E -A 148 0A 0 -2,-0.3 2,-0.3 41,-0.3 141,-0.2 -0.992 8.5-175.0-135.8 142.7 77.5 68.4 167.7 8 7 A G E -A 147 0A 0 139,-3.0 139,-2.3 -2,-0.4 2,-0.3 -0.990 5.2-179.2-138.8 147.5 78.8 68.5 171.3 9 8 A F E +A 146 0A 22 -2,-0.3 2,-0.3 137,-0.2 137,-0.2 -0.995 10.1 170.3-144.4 137.7 81.4 66.7 173.4 10 9 A D E -A 145 0A 17 135,-2.2 135,-1.8 -2,-0.3 2,-0.4 -0.997 14.4-159.3-150.4 153.4 82.3 67.1 177.1 11 10 A V E -A 144 0A 0 273,-0.5 2,-0.5 -2,-0.3 133,-0.2 -0.977 3.7-160.5-134.2 144.5 84.3 65.6 179.8 12 11 A H E -A 143 0A 37 131,-2.7 131,-2.1 -2,-0.4 2,-0.3 -0.967 12.5-151.8-126.6 115.2 84.2 65.8 183.6 13 12 A A E -A 142 0A 5 -2,-0.5 129,-0.3 129,-0.2 2,-0.2 -0.662 29.5-109.8 -83.2 140.2 87.4 64.7 185.5 14 13 A F + 0 0 90 127,-2.4 19,-0.5 -2,-0.3 2,-0.3 -0.517 43.8 174.2 -73.8 134.8 86.6 63.4 189.0 15 14 A G - 0 0 31 -2,-0.2 2,-0.3 17,-0.2 17,-0.3 -0.887 16.6-144.8-134.7 165.1 87.7 65.6 191.8 16 15 A E E -D 31 0B 100 15,-3.0 15,-4.3 -2,-0.3 2,-0.5 -0.976 2.5-147.4-136.5 149.7 87.3 65.5 195.6 17 16 A D E +D 30 0B 117 -2,-0.3 13,-0.2 13,-0.2 -2,-0.0 -0.960 20.5 174.4-117.6 127.8 86.8 68.1 198.3 18 17 A R E -D 29 0B 149 11,-2.8 11,-3.2 -2,-0.5 2,-0.2 -0.995 27.7-122.2-135.6 142.3 88.2 67.7 201.8 19 18 A P E -D 28 0B 112 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.573 31.2-176.8 -81.8 142.6 88.4 70.0 204.9 20 19 A L E -D 27 0B 62 7,-3.1 7,-3.5 -2,-0.2 2,-0.6 -0.947 26.1-132.1-136.5 156.9 91.7 70.8 206.5 21 20 A I E +D 26 0B 125 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.953 33.5 167.5-111.2 114.4 92.9 72.8 209.5 22 21 A I E > S-D 25 0B 108 3,-2.7 3,-1.0 -2,-0.6 -2,-0.1 -0.963 70.1 -6.2-132.2 114.5 95.8 75.2 208.5 23 22 A G T 3 S- 0 0 78 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.865 128.4 -59.3 71.0 35.5 96.9 77.9 210.8 24 23 A G T 3 S+ 0 0 73 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.432 117.9 113.8 72.6 -1.3 94.1 77.1 213.2 25 24 A V E < -D 22 0B 87 -3,-1.0 -3,-2.7 2,-0.0 2,-0.4 -0.886 69.3-127.0-110.2 130.6 91.7 77.9 210.4 26 25 A E E +D 21 0B 169 -2,-0.5 -5,-0.2 -5,-0.2 -3,-0.0 -0.587 38.7 174.7 -72.8 123.0 89.4 75.3 208.8 27 26 A V E -D 20 0B 51 -7,-3.5 -7,-3.1 -2,-0.4 2,-0.3 -0.967 31.2-115.1-133.4 149.2 89.9 75.5 205.0 28 27 A P E -D 19 0B 107 0, 0.0 2,-0.5 0, 0.0 -11,-0.0 -0.650 25.2-161.0 -84.3 135.4 88.6 73.5 202.0 29 28 A Y E -D 18 0B 125 -11,-3.2 -11,-2.8 -2,-0.3 2,-0.5 -0.962 4.6-154.0-121.5 118.9 91.1 71.5 200.0 30 29 A H E -D 17 0B 74 -2,-0.5 2,-0.4 -13,-0.2 -13,-0.2 -0.784 5.2-162.5 -96.9 127.0 90.2 70.4 196.5 31 30 A T E +D 16 0B 47 -15,-4.3 -15,-3.0 -2,-0.5 2,-0.1 -0.857 56.4 11.4-105.2 140.6 91.8 67.3 194.9 32 31 A G S S- 0 0 45 -2,-0.4 -17,-0.2 -17,-0.3 -18,-0.0 -0.396 111.0 -8.5 92.5-173.7 91.7 66.7 191.2 33 32 A F S S- 0 0 57 -19,-0.5 2,-0.9 253,-0.2 -2,-0.1 -0.290 72.2-116.9 -61.0 138.7 90.7 69.0 188.3 34 33 A I - 0 0 108 -4,-0.1 2,-0.1 -19,-0.1 -1,-0.1 -0.694 31.8-149.7 -84.0 106.3 89.1 72.3 189.4 35 34 A A - 0 0 40 -2,-0.9 -23,-0.0 1,-0.1 3,-0.0 -0.439 21.2-171.9 -77.4 147.5 85.6 72.4 188.1 36 35 A H S S+ 0 0 156 -2,-0.1 2,-0.3 31,-0.1 -1,-0.1 -0.098 75.5 37.2-124.7 28.1 83.8 75.6 187.2 37 36 A S S S- 0 0 36 31,-0.1 31,-0.2 29,-0.0 32,-0.1 -0.885 99.8 -88.1-159.3-175.6 80.5 73.8 186.7 38 37 A D - 0 0 78 29,-0.5 3,-0.1 -2,-0.3 30,-0.1 0.405 62.5-117.2 -86.6 2.4 78.3 71.1 188.2 39 38 A G + 0 0 7 1,-0.2 2,-1.7 -28,-0.1 3,-0.1 0.614 54.3 164.9 73.4 13.0 80.2 68.7 185.8 40 39 A D > + 0 0 55 1,-0.2 4,-2.5 2,-0.1 -1,-0.2 -0.454 9.5 177.8 -69.4 90.8 76.9 67.9 184.0 41 40 A V H > S+ 0 0 5 -2,-1.7 4,-2.3 1,-0.2 5,-0.3 0.850 73.8 54.6 -64.0 -39.6 78.5 66.3 181.0 42 41 A A H > S+ 0 0 11 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 114.3 40.1 -64.5 -43.0 75.2 65.4 179.3 43 42 A L H > S+ 0 0 13 2,-0.2 4,-2.5 3,-0.2 -2,-0.2 0.873 113.5 53.7 -75.3 -36.6 73.9 68.9 179.5 44 43 A H H X S+ 0 0 9 -4,-2.5 4,-2.3 2,-0.2 15,-0.2 0.964 112.7 43.6 -61.1 -50.2 77.2 70.6 178.6 45 44 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 102,-0.2 0.930 115.2 49.2 -60.3 -44.8 77.6 68.4 175.4 46 45 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.871 110.6 51.5 -61.2 -37.4 73.9 69.0 174.5 47 46 A T H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.872 109.7 48.4 -68.6 -39.2 74.4 72.7 175.1 48 47 A D H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -41,-0.3 0.852 109.2 55.2 -70.0 -32.9 77.4 72.8 172.8 49 48 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 -43,-0.2 100,-0.2 0.915 110.4 43.1 -65.6 -45.1 75.4 70.8 170.1 50 49 A I H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.919 115.6 47.7 -68.5 -43.8 72.5 73.3 170.0 51 50 A L H <>S+ 0 0 2 -4,-1.9 5,-3.7 1,-0.2 6,-0.5 0.873 112.8 51.4 -64.7 -35.4 74.7 76.4 170.0 52 51 A G H ><5S+ 0 0 0 -4,-2.0 3,-1.0 3,-0.2 -1,-0.2 0.850 104.5 54.0 -70.5 -36.6 76.9 74.8 167.3 53 52 A A H 3<5S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -48,-0.2 0.811 113.5 44.1 -66.8 -29.2 74.0 74.0 165.0 54 53 A A T 3<5S- 0 0 0 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.310 115.8-117.0 -96.5 5.4 73.0 77.7 165.1 55 54 A A T < 5S+ 0 0 13 -3,-1.0 -3,-0.2 2,-0.1 -2,-0.1 0.845 73.6 133.5 61.4 38.5 76.5 78.8 164.7 56 55 A L < - 0 0 44 -5,-3.7 2,-0.8 1,-0.2 -4,-0.2 0.297 64.8-123.2 -99.7 8.5 76.6 80.5 168.1 57 56 A G - 0 0 9 -6,-0.5 2,-0.3 -5,-0.1 -1,-0.2 -0.785 49.9 -49.7 94.6-112.1 80.0 79.0 169.1 58 57 A D > - 0 0 9 -2,-0.8 3,-0.8 -7,-0.1 -10,-0.1 -0.960 60.0 -75.5-157.5 173.9 79.9 77.0 172.4 59 58 A I G > S+ 0 0 39 1,-0.3 3,-1.4 -2,-0.3 2,-0.4 0.735 112.1 80.3 -48.1 -25.4 78.9 77.0 176.0 60 59 A G G 3 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.109 90.6 50.1 -75.5 28.1 81.8 79.3 176.8 61 60 A K G < S+ 0 0 115 -3,-0.8 -1,-0.2 -2,-0.4 -2,-0.1 0.197 75.2 99.2-146.2 14.9 79.9 82.4 175.6 62 61 A L S < S+ 0 0 7 -3,-1.4 -2,-0.1 1,-0.3 -3,-0.1 0.747 97.3 17.4 -79.2 -24.7 76.5 82.2 177.4 63 62 A F 0 0 112 -4,-0.2 -1,-0.3 4,-0.0 4,-0.1 -0.672 360.0 360.0-151.5 90.3 77.4 84.6 180.2 64 63 A P 0 0 171 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.355 360.0 360.0 -71.2 360.0 80.4 87.0 179.7 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 0 211 0, 0.0 3,-0.7 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0-153.6 75.6 81.2 187.3 67 71 A N T 3 + 0 0 59 1,-0.2 -29,-0.5 5,-0.1 6,-0.1 0.549 360.0 83.2 -82.5 -9.8 77.6 78.5 185.7 68 72 A A T 3 S+ 0 0 69 -31,-0.2 2,-0.6 1,-0.1 -1,-0.2 0.753 87.7 60.8 -65.7 -22.8 77.2 76.2 188.7 69 73 A D <> - 0 0 72 -3,-0.7 4,-1.1 1,-0.1 3,-0.2 -0.928 64.7-168.1-112.3 118.9 73.9 75.2 187.2 70 74 A S H > S+ 0 0 0 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.624 85.6 60.8 -79.7 -15.2 73.8 73.5 183.8 71 75 A R H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.803 103.1 54.5 -79.4 -27.2 70.1 73.7 183.2 72 76 A G H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.911 109.8 45.6 -68.5 -41.8 70.5 77.5 183.4 73 77 A L H X S+ 0 0 5 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.915 112.2 52.1 -66.8 -42.1 73.1 77.4 180.7 74 78 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.937 110.6 46.9 -59.5 -49.5 71.0 75.0 178.6 75 79 A R H X S+ 0 0 109 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.940 110.5 52.7 -58.4 -48.8 67.9 77.3 178.8 76 80 A E H X S+ 0 0 26 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.860 109.6 49.7 -55.5 -36.7 70.1 80.4 178.0 77 81 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.931 112.5 46.7 -68.4 -44.3 71.4 78.5 174.9 78 82 A F H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.871 107.9 56.8 -64.6 -37.6 67.9 77.6 173.8 79 83 A R H X S+ 0 0 107 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.968 111.0 43.8 -56.9 -52.8 66.7 81.2 174.4 80 84 A Q H X S+ 0 0 42 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.834 109.5 55.6 -61.9 -36.8 69.4 82.4 172.0 81 85 A V H ><>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 3,-0.7 0.897 108.0 49.7 -64.3 -38.9 68.6 79.7 169.5 82 86 A Q H ><5S+ 0 0 62 -4,-2.3 3,-2.6 1,-0.2 -1,-0.2 0.869 100.9 63.5 -65.9 -37.1 65.0 80.8 169.4 83 87 A E H 3<5S+ 0 0 142 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.763 102.9 50.2 -59.1 -24.3 66.1 84.4 168.9 84 88 A K T <<5S- 0 0 65 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.330 129.7 -98.4 -94.9 5.4 67.6 83.2 165.6 85 89 A G T < 5S+ 0 0 26 -3,-2.6 69,-1.7 1,-0.3 2,-0.3 0.562 79.5 127.6 93.2 10.4 64.3 81.6 164.7 86 90 A Y E < -B 153 0A 0 -5,-2.1 2,-0.3 67,-0.2 -1,-0.3 -0.684 31.0-179.0-106.0 156.6 65.0 77.9 165.6 87 91 A K E -B 152 0A 86 65,-2.8 65,-2.7 -2,-0.3 2,-0.2 -0.859 45.8 -76.3-136.4 167.1 63.2 75.3 167.7 88 92 A I E -B 151 0A 3 29,-0.4 63,-0.2 -2,-0.3 3,-0.1 -0.499 32.3-177.8 -75.5 134.3 64.3 71.8 168.4 89 93 A G E - 0 0 4 61,-3.1 2,-0.3 1,-0.3 62,-0.2 0.900 69.5 -54.9 -85.1 -66.1 63.9 69.1 165.8 90 94 A N E -B 150 0A 0 60,-1.1 60,-2.2 29,-0.0 -1,-0.3 -0.944 49.7-146.4-169.5 155.9 65.2 66.3 168.0 91 95 A V E -Bc 149 124A 0 32,-2.7 34,-2.0 -2,-0.3 2,-0.4 -0.961 3.8-162.6-132.4 151.0 68.4 65.6 170.1 92 96 A D E -Bc 148 125A 0 56,-2.1 56,-2.1 -2,-0.3 2,-0.4 -0.995 9.0-164.4-136.2 128.1 70.3 62.4 170.9 93 97 A I E -Bc 147 126A 0 32,-2.3 34,-1.9 -2,-0.4 2,-0.5 -0.932 6.4-164.4-119.5 135.6 72.7 62.1 173.8 94 98 A T E -Bc 146 127A 0 52,-3.0 52,-2.6 -2,-0.4 2,-0.4 -0.923 8.5-159.0-122.8 106.5 75.3 59.4 174.4 95 99 A I E -Bc 145 128A 9 32,-3.3 34,-2.7 -2,-0.5 2,-0.6 -0.672 4.2-156.1 -83.9 134.3 76.8 59.3 177.9 96 100 A I E +Bc 144 129A 9 48,-2.7 48,-2.3 -2,-0.4 2,-0.3 -0.901 35.0 136.5-116.0 101.9 80.2 57.5 178.1 97 101 A A - 0 0 8 32,-2.0 2,-2.2 -2,-0.6 46,-0.1 -1.000 61.4-122.5-148.6 144.7 80.8 56.1 181.6 98 102 A Q S S+ 0 0 38 39,-0.6 32,-0.1 44,-0.4 -2,-0.0 -0.268 81.3 108.2 -80.0 53.5 82.1 52.9 183.3 99 103 A A - 0 0 41 -2,-2.2 -2,-0.2 30,-0.2 3,-0.1 -0.778 53.4-158.9-125.7 168.4 78.8 52.7 185.1 100 104 A P + 0 0 116 0, 0.0 2,-0.8 0, 0.0 3,-0.3 0.750 66.3 56.4-109.6 -77.4 75.8 50.5 185.0 101 105 A K + 0 0 76 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.528 57.2 113.1 -74.0 101.1 72.4 51.6 186.4 102 106 A X >> + 0 0 40 -2,-0.8 4,-1.6 -3,-0.1 3,-1.1 0.406 49.4 92.9-137.8 -16.2 71.2 54.9 185.0 103 107 A R H 3> S+ 0 0 85 -3,-0.3 4,-0.9 1,-0.3 3,-0.1 0.846 84.2 56.7 -52.5 -37.9 68.1 53.7 183.1 104 108 A P H 34 S+ 0 0 101 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.869 115.2 39.3 -63.0 -31.4 65.9 54.5 186.1 105 109 A H H <> S+ 0 0 112 -3,-1.1 4,-1.8 2,-0.1 -2,-0.2 0.618 97.1 81.1 -91.7 -15.6 67.3 58.0 185.9 106 110 A I H X S+ 0 0 11 -4,-1.6 4,-2.6 1,-0.2 3,-0.5 0.953 91.2 48.1 -55.8 -57.9 67.3 58.4 182.1 107 111 A D H X S+ 0 0 89 -4,-0.9 4,-2.5 1,-0.3 -1,-0.2 0.868 109.6 54.3 -52.8 -40.0 63.6 59.3 181.7 108 112 A A H > S+ 0 0 51 -4,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.889 108.9 49.1 -62.4 -38.4 63.9 61.8 184.4 109 113 A X H X S+ 0 0 58 -4,-1.8 4,-2.7 -3,-0.5 -2,-0.2 0.942 109.4 52.1 -64.5 -47.1 66.8 63.4 182.5 110 114 A R H X S+ 0 0 36 -4,-2.6 4,-3.8 1,-0.2 5,-0.2 0.919 108.4 50.5 -54.7 -48.4 64.7 63.4 179.3 111 115 A A H X S+ 0 0 49 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.924 111.0 48.6 -57.6 -47.6 61.8 65.2 181.0 112 116 A K H X S+ 0 0 104 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.918 115.1 44.4 -59.4 -45.7 64.1 67.9 182.4 113 117 A I H X S+ 0 0 4 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.938 111.7 53.0 -64.4 -46.8 65.7 68.4 179.0 114 118 A A H <>S+ 0 0 9 -4,-3.8 5,-2.3 1,-0.2 4,-0.3 0.900 110.8 49.8 -54.2 -41.2 62.3 68.3 177.3 115 119 A E H ><5S+ 0 0 134 -4,-2.7 3,-0.9 -5,-0.2 -1,-0.2 0.925 111.4 45.4 -64.4 -48.0 61.3 71.0 179.8 116 120 A D H 3<5S+ 0 0 8 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.676 117.6 44.3 -71.7 -19.5 64.3 73.3 179.2 117 121 A L T 3<5S- 0 0 1 -4,-1.8 -29,-0.4 -5,-0.2 -1,-0.2 0.330 106.3-128.9-104.1 3.6 64.1 73.0 175.4 118 122 A Q T < 5 + 0 0 133 -3,-0.9 2,-0.3 -4,-0.3 -3,-0.2 0.893 68.4 113.1 50.0 50.0 60.3 73.4 175.5 119 123 A C S - 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0 0 40 -5,-3.3 2,-0.9 1,-0.2 -4,-0.2 -0.013 64.4-119.6-106.2 26.6 73.7 26.4 151.6 829 56 F G - 0 0 6 -6,-0.2 2,-0.3 -5,-0.2 -1,-0.2 -0.630 51.5 -59.9 81.2-106.3 75.6 24.6 148.9 830 57 F D >> - 0 0 5 -2,-0.9 3,-3.0 -7,-0.1 4,-0.5 -0.970 58.0 -71.2-168.8 171.9 79.3 24.0 149.9 831 58 F I G >4 S+ 0 0 36 1,-0.3 3,-1.0 -2,-0.3 4,-0.4 0.754 120.3 66.8 -45.0 -33.8 82.5 25.8 150.9 832 59 F G G 34 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.623 100.4 49.3 -67.5 -12.6 83.0 27.0 147.3 833 60 F K G <4 S+ 0 0 76 -3,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.532 80.4 94.7-102.9 -9.1 79.9 29.3 147.5 834 61 F L S << S+ 0 0 6 -3,-1.0 -2,-0.1 -4,-0.5 -1,-0.1 0.909 97.8 31.3 -46.9 -50.8 80.8 31.0 150.8 835 62 F F 0 0 108 -4,-0.4 -1,-0.3 -3,-0.1 9,-0.0 -0.725 360.0 360.0-113.5 80.7 82.4 33.9 148.9 836 63 F P 0 0 157 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.341 360.0 360.0 -70.5 360.0 80.5 34.2 145.6 837 ! 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 0.0 838 71 F N 0 0 128 0, 0.0 -28,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -20.2 89.7 32.3 152.2 839 72 F A + 0 0 66 -30,-0.1 -29,-1.5 1,-0.1 2,-0.5 0.861 360.0 70.3 -91.0 -46.6 93.1 30.8 153.0 840 73 F D S > S- 0 0 90 1,-0.2 4,-1.3 -31,-0.1 3,-0.5 -0.614 71.2-155.6 -75.6 122.2 92.5 30.3 156.7 841 74 F S H > S+ 0 0 0 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.788 89.2 64.2 -70.3 -28.4 90.0 27.6 157.1 842 75 F R H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.833 102.2 52.1 -64.4 -30.2 88.8 28.8 160.5 843 76 F G H > S+ 0 0 24 -3,-0.5 4,-3.1 2,-0.2 -1,-0.2 0.935 110.4 46.3 -69.3 -45.9 87.6 31.9 158.8 844 77 F L H X S+ 0 0 15 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.915 112.5 51.8 -61.3 -41.8 85.6 29.8 156.2 845 78 F L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.943 112.5 45.3 -59.2 -48.0 84.3 27.7 159.1 846 79 F R H X S+ 0 0 81 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.900 110.7 52.2 -64.2 -41.8 83.2 30.9 160.9 847 80 F E H X S+ 0 0 29 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.945 110.5 49.9 -59.2 -45.0 81.6 32.4 157.8 848 81 F A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.891 110.4 49.0 -60.8 -42.6 79.7 29.2 157.3 849 82 F F H X S+ 0 0 7 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.938 109.9 51.4 -65.0 -44.5 78.5 29.2 160.9 850 83 F R H X S+ 0 0 103 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.939 110.3 48.8 -56.3 -47.6 77.3 32.8 160.7 851 84 F Q H X S+ 0 0 55 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.867 112.5 48.8 -59.7 -36.5 75.4 32.1 157.5 852 85 F V H ><>S+ 0 0 0 -4,-1.9 5,-1.9 -5,-0.2 3,-0.7 0.909 111.4 50.3 -68.3 -41.2 73.9 29.1 159.3 853 86 F Q H ><5S+ 0 0 37 -4,-3.1 3,-3.1 1,-0.2 -2,-0.2 0.937 103.3 58.4 -61.5 -48.4 73.1 31.4 162.2 854 87 F E H 3<5S+ 0 0 58 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.729 104.3 53.3 -56.3 -22.1 71.4 34.0 160.0 855 88 F K T <<5S- 0 0 68 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.367 127.8-101.3 -94.5 6.6 69.0 31.2 158.9 856 89 F G T < 5S+ 0 0 24 -3,-3.1 69,-2.5 1,-0.3 2,-0.3 0.763 76.3 135.2 84.3 27.1 68.2 30.5 162.5 857 90 F Y E < -V 924 0K 6 -5,-1.9 2,-0.3 67,-0.3 -1,-0.3 -0.750 31.5-169.7-109.6 157.7 70.3 27.4 163.1 858 91 F K E -V 923 0K 83 65,-1.7 65,-3.6 -2,-0.3 2,-0.5 -0.941 37.4 -89.3-138.4 156.3 72.5 26.4 166.0 859 92 F I E +V 922 0K 1 29,-0.3 63,-0.2 -2,-0.3 3,-0.1 -0.565 34.8 179.2 -73.2 120.3 75.0 23.5 166.3 860 93 F G E - 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