==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 15-JUN-13 4L83 . COMPND 2 MOLECULE: UBE2I2 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUGIA MALAYI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 16.4 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 1.2 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 . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 0 2 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 0 0 1 0 1 1 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 4 A G > 0 0 102 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 139.8 10.7 -16.0 16.3 2 5 A I H > + 0 0 147 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.950 360.0 44.7 -61.8 -47.3 8.7 -13.6 18.4 3 6 A A H > S+ 0 0 3 61,-0.5 4,-2.7 1,-0.2 5,-0.2 0.919 112.9 49.6 -63.8 -48.2 11.0 -10.7 17.7 4 7 A A H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 110.3 51.4 -62.2 -39.0 11.2 -11.3 14.0 5 8 A G H X S+ 0 0 35 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.920 112.7 44.8 -61.7 -45.4 7.4 -11.5 13.7 6 9 A R H X S+ 0 0 42 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.891 110.8 54.3 -67.7 -37.5 6.9 -8.3 15.5 7 10 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.884 106.8 50.8 -66.2 -37.1 9.6 -6.5 13.5 8 11 A A H X S+ 0 0 48 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.898 110.5 50.7 -65.9 -37.7 8.0 -7.6 10.2 9 12 A E H X S+ 0 0 123 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.898 109.5 50.5 -62.3 -43.1 4.7 -6.1 11.5 10 13 A E H X S+ 0 0 16 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.918 109.9 50.1 -62.6 -44.7 6.5 -2.9 12.4 11 14 A R H X S+ 0 0 64 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.920 112.1 47.7 -57.6 -45.3 8.0 -2.6 8.9 12 15 A K H X S+ 0 0 157 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.923 112.8 47.8 -64.6 -43.9 4.6 -3.2 7.3 13 16 A A H X S+ 0 0 59 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.904 112.8 49.2 -64.2 -41.4 2.8 -0.6 9.6 14 17 A W H < S+ 0 0 17 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.946 111.2 48.3 -64.5 -48.3 5.6 2.0 8.9 15 18 A R H < S+ 0 0 172 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.857 110.4 53.5 -60.5 -34.4 5.4 1.5 5.2 16 19 A K H < S- 0 0 186 -4,-1.9 2,-0.3 1,-0.3 -1,-0.2 0.923 131.6 -9.2 -68.3 -46.9 1.6 1.8 5.2 17 20 A N S < S+ 0 0 124 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.1 -0.934 71.8 154.5-156.0 130.3 1.6 5.1 7.1 18 21 A H - 0 0 72 -2,-0.3 2,-0.1 -3,-0.2 3,-0.1 -0.975 49.4 -79.2-148.7 160.9 4.4 7.1 8.8 19 22 A P > - 0 0 26 0, 0.0 3,-1.9 0, 0.0 -2,-0.0 -0.392 58.7 -94.3 -68.7 142.3 5.0 10.7 9.7 20 23 A F T 3 S+ 0 0 201 1,-0.3 3,-0.1 -2,-0.1 0, 0.0 -0.213 106.0 14.5 -58.5 130.3 6.3 12.9 6.8 21 24 A G T 3 S+ 0 0 28 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.226 95.6 119.2 94.3 -14.4 10.0 13.3 6.6 22 25 A F < - 0 0 12 -3,-1.9 2,-0.4 21,-0.1 -1,-0.3 -0.570 46.3-157.6 -82.7 149.3 10.9 10.4 8.9 23 26 A I E +A 42 0A 47 19,-2.3 19,-2.2 -2,-0.2 2,-0.2 -0.977 19.5 162.1-123.0 139.2 12.9 7.4 7.7 24 27 A A E +A 41 0A 9 -2,-0.4 17,-0.2 17,-0.3 35,-0.1 -0.739 14.1 154.6-157.3 106.6 12.9 4.0 9.3 25 28 A K E -A 40 0A 45 15,-1.9 15,-2.7 -2,-0.2 -2,-0.0 -0.986 43.5-113.9-140.9 130.2 14.2 1.0 7.4 26 29 A P E -A 39 0A 19 0, 0.0 13,-0.3 0, 0.0 10,-0.2 -0.267 43.1-116.2 -51.7 143.6 15.7 -2.4 8.2 27 30 A S E -A 35 0A 27 11,-3.2 8,-2.8 8,-0.8 2,-0.5 -0.141 26.7-109.8 -75.6 176.5 19.3 -2.6 7.0 28 31 A S E -A 34 0A 86 6,-0.2 6,-0.2 8,-0.0 5,-0.1 -0.942 15.8-132.4-116.7 134.1 20.6 -5.0 4.4 29 32 A N > - 0 0 57 4,-3.0 3,-2.0 -2,-0.5 6,-0.1 -0.213 47.9 -88.0 -65.2 168.5 22.8 -8.0 4.8 30 33 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.834 128.9 48.6 -55.5 -34.5 25.7 -8.2 2.3 31 34 A D T 3 S- 0 0 122 1,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.486 124.9 -96.7 -85.4 -6.6 23.6 -10.0 -0.3 32 35 A G S < S+ 0 0 50 -3,-2.0 3,-0.1 1,-0.4 -1,-0.0 0.252 77.4 140.8 105.2 -9.7 20.7 -7.6 -0.1 33 36 A T - 0 0 75 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.4 -0.302 59.1-102.0 -61.9 152.0 18.5 -9.7 2.3 34 37 A R E -A 28 0A 135 -6,-0.2 2,-0.7 -3,-0.1 -6,-0.2 -0.572 24.5-155.8 -77.9 133.4 16.7 -7.7 4.9 35 38 A N E > -A 27 0A 37 -8,-2.8 3,-1.2 -2,-0.3 -8,-0.8 -0.894 8.1-172.9-108.6 100.6 18.1 -7.6 8.5 36 39 A L E 3 S+ 0 0 35 -2,-0.7 -1,-0.1 1,-0.2 3,-0.1 0.651 76.0 65.1 -67.3 -14.6 15.1 -6.9 10.7 37 40 A F E 3 S+ 0 0 49 1,-0.2 25,-2.8 24,-0.1 2,-0.4 0.506 99.5 50.3 -94.0 -7.3 17.2 -6.5 13.8 38 41 A I E < - B 0 61A 48 -3,-1.2 -11,-3.2 23,-0.2 2,-0.4 -0.974 68.5-174.4-129.7 119.2 19.1 -3.3 12.7 39 42 A W E -AB 26 60A 0 21,-2.7 21,-2.5 -2,-0.4 2,-0.6 -0.938 18.1-147.2-114.2 138.5 17.2 -0.3 11.4 40 43 A E E +AB 25 59A 60 -15,-2.7 -15,-1.9 -2,-0.4 2,-0.2 -0.897 33.9 169.7 -99.8 118.7 18.7 2.8 9.9 41 44 A C E -AB 24 58A 0 17,-2.4 17,-2.2 -2,-0.6 2,-0.3 -0.701 21.2-159.7-123.8 169.7 16.3 5.7 10.8 42 45 A A E -AB 23 57A 0 -19,-2.2 -19,-2.3 15,-0.3 15,-0.2 -0.947 7.5-149.3-155.4 143.1 16.3 9.5 10.7 43 46 A I E - B 0 56A 0 13,-2.1 13,-2.8 -2,-0.3 2,-0.2 -0.950 15.9-138.6-114.3 123.1 14.2 12.1 12.4 44 47 A P E - B 0 55A 23 0, 0.0 11,-0.2 0, 0.0 2,-0.1 -0.504 31.0-102.5 -77.1 148.3 13.4 15.5 10.7 45 48 A G - 0 0 12 9,-2.6 8,-0.4 6,-0.4 2,-0.2 -0.460 46.7 -96.4 -66.3 141.5 13.6 18.6 12.8 46 49 A K > - 0 0 98 69,-0.2 3,-1.4 6,-0.1 6,-0.5 -0.393 42.3-110.7 -61.7 127.1 10.2 19.9 13.9 47 50 A K T 3 S+ 0 0 159 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.273 102.3 26.4 -59.3 141.8 8.8 22.6 11.6 48 51 A G T 3 S+ 0 0 70 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.586 107.2 98.2 78.5 11.7 8.7 26.1 13.2 49 52 A T S X S- 0 0 32 -3,-1.4 3,-1.7 -4,-0.0 -1,-0.3 -0.787 91.5-102.7-122.9 169.4 11.6 25.2 15.6 50 53 A I T 3 S+ 0 0 21 -2,-0.3 100,-0.2 1,-0.3 -3,-0.1 0.684 120.2 62.4 -62.9 -16.6 15.3 25.8 15.7 51 54 A W T > S+ 0 0 4 -5,-0.2 3,-1.7 2,-0.1 -6,-0.4 0.611 77.0 123.8 -81.2 -13.7 15.6 22.1 14.6 52 55 A E T < + 0 0 93 -3,-1.7 -6,-0.1 -6,-0.5 3,-0.1 -0.141 68.0 24.8 -59.6 140.9 13.9 22.7 11.3 53 56 A G T 3 S+ 0 0 46 -8,-0.4 102,-2.1 1,-0.4 -1,-0.2 0.094 98.0 109.0 96.2 -23.7 15.7 21.7 8.1 54 57 A G B < -E 154 0B 4 -3,-1.7 -9,-2.6 100,-0.2 2,-0.4 -0.524 52.1-158.7 -83.9 154.7 17.9 19.1 9.8 55 58 A L E -B 44 0A 3 98,-2.6 2,-0.7 -11,-0.2 103,-0.1 -0.970 12.2-157.0-135.8 115.8 17.6 15.4 9.4 56 59 A Y E -B 43 0A 4 -13,-2.8 -13,-2.1 -2,-0.4 2,-0.1 -0.855 9.1-140.6-111.5 105.4 19.1 13.5 12.3 57 60 A K E +B 42 0A 43 -2,-0.7 19,-1.9 -15,-0.2 2,-0.3 -0.407 24.0 177.9 -69.9 136.2 20.2 9.9 11.6 58 61 A I E -BC 41 75A 0 -17,-2.2 -17,-2.4 17,-0.3 2,-0.4 -0.997 17.6-144.3-143.9 133.0 19.6 7.3 14.4 59 62 A R E -BC 40 74A 61 15,-2.6 15,-2.0 -2,-0.3 2,-0.5 -0.806 7.3-157.1-101.0 138.6 20.2 3.6 14.5 60 63 A M E -BC 39 73A 1 -21,-2.5 -21,-2.7 -2,-0.4 2,-0.5 -0.974 5.7-168.9-114.9 127.1 18.0 1.1 16.2 61 64 A Q E -BC 38 72A 88 11,-2.3 11,-2.6 -2,-0.5 2,-0.4 -0.970 8.9-158.1-116.5 117.7 19.4 -2.3 17.3 62 65 A F - 0 0 14 -25,-2.8 2,-0.1 -2,-0.5 -2,-0.0 -0.787 5.8-142.1 -98.7 140.3 16.9 -5.0 18.5 63 66 A K > - 0 0 115 -2,-0.4 3,-1.8 7,-0.2 6,-0.1 -0.434 32.6-102.5 -89.1 167.1 17.7 -7.9 20.7 64 67 A D T 3 S+ 0 0 140 1,-0.3 -61,-0.5 -2,-0.1 -60,-0.1 0.690 120.2 57.7 -67.1 -17.9 16.2 -11.4 20.3 65 68 A D T >> S+ 0 0 80 -63,-0.1 3,-2.0 -62,-0.1 4,-0.8 0.245 85.3 159.4-101.0 15.5 13.9 -10.7 23.2 66 69 A Y T <4 + 0 0 3 -3,-1.8 -60,-0.2 1,-0.3 -59,-0.1 -0.540 57.1 36.3 -57.0 138.1 12.3 -7.7 21.6 67 70 A P T 34 S+ 0 0 19 0, 0.0 -1,-0.3 0, 0.0 38,-0.1 -0.935 113.8 59.8 -96.5 16.8 9.6 -6.5 22.4 68 71 A S T <4 S+ 0 0 80 -3,-2.0 -2,-0.3 34,-0.1 -3,-0.0 0.945 118.6 36.2 -56.9 -46.0 10.2 -7.4 26.1 69 72 A T S < S- 0 0 7 -4,-0.8 -6,-0.1 -6,-0.1 27,-0.1 -0.794 92.5-122.9-105.6 145.7 13.2 -5.2 25.7 70 73 A P - 0 0 10 0, 0.0 -7,-0.2 0, 0.0 27,-0.1 -0.480 36.7 -93.2 -76.5 159.2 13.3 -1.9 23.6 71 74 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.382 38.9-109.3 -62.3 153.2 15.8 -1.4 20.8 72 75 A K E -C 61 0A 108 -11,-2.6 -11,-2.3 -3,-0.1 2,-0.4 -0.776 38.6-156.7 -77.3 126.8 19.1 0.4 21.7 73 76 A C E +C 60 0A 7 -2,-0.5 17,-0.6 -13,-0.2 2,-0.4 -0.915 17.3 171.9-113.3 132.7 18.7 3.8 20.0 74 77 A K E -CD 59 89A 72 -15,-2.0 -15,-2.6 -2,-0.4 15,-0.3 -0.934 29.1-132.6-148.5 118.4 21.8 5.8 19.1 75 78 A F E -C 58 0A 3 13,-3.0 -17,-0.3 -2,-0.4 4,-0.1 -0.490 28.7-136.7 -65.9 133.8 22.2 9.0 17.0 76 79 A D S S+ 0 0 73 -19,-1.9 -19,-0.1 1,-0.2 12,-0.1 -0.885 93.6 28.5-142.1 109.5 25.0 8.6 14.5 77 80 A P S S- 0 0 46 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 0.462 113.3-106.5 -77.8 166.5 26.7 11.0 14.4 78 81 A P - 0 0 65 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.260 37.3-135.5 -58.2 149.0 26.2 12.1 18.0 79 82 A L - 0 0 8 6,-0.3 2,-0.7 2,-0.1 9,-0.1 -0.821 11.4-117.7-109.0 147.5 24.0 15.2 18.4 80 83 A F + 0 0 31 -2,-0.3 5,-0.1 65,-0.1 69,-0.1 -0.758 64.5 123.2 -77.8 112.0 24.4 18.4 20.4 81 84 A H > - 0 0 0 -2,-0.7 3,-1.5 3,-0.4 51,-0.2 -0.876 69.2-115.5-168.7 144.4 21.4 18.2 22.8 82 85 A P T 3 S+ 0 0 0 0, 0.0 45,-3.1 0, 0.0 46,-1.3 0.745 114.4 40.8 -59.7 -26.4 21.0 18.3 26.6 83 86 A N T 3 S+ 0 0 0 43,-0.2 8,-2.9 44,-0.2 2,-0.5 0.142 94.1 91.8-109.8 12.2 19.6 14.8 26.8 84 87 A V B < S-F 90 0C 0 -3,-1.5 -3,-0.4 6,-0.2 6,-0.2 -0.960 74.7-130.8-110.1 120.3 21.8 13.0 24.2 85 88 A Y > - 0 0 91 4,-2.3 3,-2.3 -2,-0.5 -6,-0.3 -0.254 27.4-104.9 -63.9 156.2 24.9 11.4 25.6 86 89 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 0.761 123.3 58.2 -54.5 -26.4 28.3 12.2 24.0 87 90 A S T 3 S- 0 0 55 2,-0.1 3,-0.1 -10,-0.1 -2,-0.0 0.664 121.7-107.9 -71.5 -21.0 28.1 8.6 22.5 88 91 A G S < S+ 0 0 0 -3,-2.3 -13,-3.0 1,-0.4 -12,-0.0 0.265 77.7 129.4 103.6 -10.4 24.8 9.5 20.8 89 92 A T B -D 74 0A 34 -15,-0.3 -4,-2.3 -5,-0.1 -1,-0.4 -0.304 53.8-122.3 -68.9 166.8 22.5 7.4 23.0 90 93 A V B -F 84 0C 17 -17,-0.6 2,-0.9 -6,-0.2 -6,-0.2 -0.900 3.0-136.3-123.2 140.0 19.5 9.1 24.5 91 94 A C + 0 0 22 -8,-2.9 2,-0.3 -2,-0.4 34,-0.1 -0.840 54.0 134.3 -92.7 102.9 18.2 9.7 28.0 92 95 A L > - 0 0 40 -2,-0.9 3,-1.8 1,-0.1 -2,-0.1 -0.933 53.7-139.1-157.9 127.2 14.5 8.9 27.7 93 96 A S G > S+ 0 0 41 -2,-0.3 7,-1.7 1,-0.3 3,-1.7 0.773 99.4 63.2 -68.6 -28.9 12.3 6.8 29.9 94 97 A I G 3 S+ 0 0 45 1,-0.3 -1,-0.3 6,-0.3 8,-0.2 0.611 96.4 62.7 -70.4 -9.7 10.3 5.0 27.2 95 98 A L G < S+ 0 0 28 -3,-1.8 2,-0.5 6,-0.1 -1,-0.3 0.284 91.5 79.3 -91.4 8.5 13.7 3.5 26.1 96 99 A D X > - 0 0 47 -3,-1.7 3,-2.4 1,-0.1 5,-1.8 -0.958 64.4-155.2-125.4 118.2 14.1 1.6 29.4 97 100 A E T 3 5S+ 0 0 84 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.733 99.7 55.4 -56.8 -26.2 12.3 -1.6 30.2 98 101 A N T 3 5S+ 0 0 142 -3,-0.1 -1,-0.3 2,-0.0 -5,-0.0 0.388 119.6 28.4 -90.9 3.9 12.6 -0.8 33.9 99 102 A K T < 5S- 0 0 129 -3,-2.4 -5,-0.1 -6,-0.3 -2,-0.1 0.311 131.1 -25.2-122.2-100.0 10.9 2.6 33.4 100 103 A D T 5S+ 0 0 103 -7,-1.7 -6,-0.3 -8,-0.0 -3,-0.2 0.428 90.4 115.3-111.2 0.7 8.3 3.4 30.8 101 104 A W < + 0 0 16 -5,-1.8 -6,-0.1 -8,-0.7 -7,-0.1 -0.480 38.1 179.1 -60.4 139.7 8.9 1.1 27.9 102 105 A K > - 0 0 126 -8,-0.2 3,-2.1 -2,-0.1 -34,-0.1 -0.982 38.6-114.0-139.7 149.9 6.1 -1.4 27.3 103 106 A P T 3 S+ 0 0 64 0, 0.0 -34,-0.1 0, 0.0 -35,-0.1 0.702 108.9 63.2 -56.7 -25.3 6.1 -4.0 24.5 104 107 A S T 3 S+ 0 0 76 2,-0.0 2,-0.1 -3,-0.0 -3,-0.0 0.616 73.5 115.0 -76.3 -13.8 3.2 -2.4 22.6 105 108 A I < - 0 0 15 -3,-2.1 2,-0.1 -38,-0.1 -4,-0.0 -0.377 60.0-139.9 -61.8 133.4 5.1 0.8 21.8 106 109 A S > - 0 0 27 1,-0.1 4,-2.0 -2,-0.1 5,-0.1 -0.393 21.1-111.2 -92.2 165.4 5.8 1.1 18.0 107 110 A V H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 120.9 54.6 -58.1 -42.6 8.8 2.2 16.0 108 111 A R H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.930 107.1 49.4 -56.9 -46.7 6.7 5.3 15.0 109 112 A Q H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.864 110.3 51.3 -63.3 -36.5 6.0 6.1 18.7 110 113 A L H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.946 112.6 44.2 -62.8 -49.0 9.7 5.8 19.5 111 114 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.901 114.7 48.7 -67.9 -37.6 10.8 8.2 16.8 112 115 A I H X S+ 0 0 53 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.891 111.9 50.9 -63.0 -42.8 8.0 10.7 17.5 113 116 A G H X S+ 0 0 17 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.903 110.9 47.5 -61.9 -42.7 9.0 10.5 21.2 114 117 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.908 111.0 51.4 -67.1 -42.6 12.7 11.1 20.4 115 118 A Q H X S+ 0 0 24 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.917 107.7 53.2 -56.6 -42.7 11.7 14.1 18.1 116 119 A D H X S+ 0 0 93 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.871 107.6 51.5 -63.2 -37.7 9.6 15.5 20.9 117 120 A L H < S+ 0 0 9 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.902 106.7 53.0 -63.1 -44.2 12.7 15.3 23.2 118 121 A L H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.977 115.6 41.1 -53.2 -52.9 14.8 17.2 20.6 119 122 A T H < S+ 0 0 37 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.874 127.1 32.9 -59.3 -41.7 12.2 19.9 20.5 120 123 A N S < S- 0 0 88 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.829 80.2-153.3-128.2 87.8 11.7 19.9 24.3 121 124 A P - 0 0 19 0, 0.0 2,-0.7 0, 0.0 -3,-0.1 -0.228 15.7-127.9 -59.5 151.2 14.7 19.1 26.5 122 125 A N > - 0 0 64 3,-0.2 3,-1.9 1,-0.1 -5,-0.0 -0.891 14.3-163.2-102.5 107.2 14.1 17.5 29.9 123 126 A V T 3 S+ 0 0 66 -2,-0.7 -1,-0.1 1,-0.3 13,-0.0 0.642 87.4 62.4 -70.4 -10.9 16.0 19.6 32.4 124 127 A D T 3 S+ 0 0 135 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.549 101.7 54.1 -83.1 -8.7 15.7 16.8 35.0 125 128 A D < - 0 0 47 -3,-1.9 -1,-0.2 -34,-0.1 -3,-0.2 -0.399 69.2-178.7-126.2 55.2 17.8 14.4 32.7 126 129 A P + 0 0 67 0, 0.0 -43,-0.2 0, 0.0 3,-0.1 -0.339 8.8 168.9 -63.0 133.1 21.1 16.0 31.8 127 130 A A + 0 0 13 -45,-3.1 2,-0.4 1,-0.3 -44,-0.2 0.535 68.7 32.5-116.1 -23.1 23.1 13.6 29.5 128 131 A Q S > S- 0 0 34 -46,-1.3 4,-2.1 -43,-0.2 -1,-0.3 -0.972 70.8-144.9-140.5 126.9 25.8 15.9 28.3 129 132 A A H > S+ 0 0 86 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.888 93.7 45.6 -60.8 -45.0 27.3 18.6 30.5 130 133 A D H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.948 114.3 45.6 -72.1 -46.7 28.0 21.3 27.9 131 134 A A H > S+ 0 0 0 1,-0.2 4,-2.4 -50,-0.2 -1,-0.2 0.888 115.8 49.4 -59.8 -40.6 24.7 21.2 25.9 132 135 A Y H X S+ 0 0 63 -4,-2.1 4,-2.3 -51,-0.2 -2,-0.2 0.940 112.1 46.0 -63.9 -47.9 22.8 21.1 29.2 133 136 A Q H X S+ 0 0 77 -4,-2.8 4,-2.7 -5,-0.2 5,-0.4 0.926 114.8 47.4 -61.9 -44.2 24.7 24.1 30.7 134 137 A I H X S+ 0 0 11 -4,-2.6 4,-2.2 -5,-0.2 8,-0.4 0.906 111.3 51.9 -64.6 -42.2 24.3 26.1 27.5 135 138 A Y H < S+ 0 0 39 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.941 118.0 37.3 -57.4 -45.2 20.6 25.2 27.3 136 139 A C H < S+ 0 0 59 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.847 132.4 21.7 -76.4 -35.4 20.0 26.4 30.8 137 140 A Q H < S+ 0 0 146 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.584 128.1 33.6-118.4 -15.4 22.3 29.4 31.1 138 141 A N X + 0 0 75 -4,-2.2 4,-2.3 -5,-0.4 3,-0.5 -0.494 58.4 164.2-143.1 67.5 23.0 30.7 27.6 139 142 A R H > S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.812 74.8 59.8 -59.9 -33.0 19.9 30.1 25.4 140 143 A V H > S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.941 110.7 42.3 -60.3 -45.9 21.0 32.5 22.6 141 144 A E H > S+ 0 0 56 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.882 111.1 56.9 -65.3 -43.4 24.2 30.4 22.1 142 145 A Y H X S+ 0 0 4 -4,-2.3 4,-2.4 -8,-0.4 -2,-0.2 0.948 109.5 44.7 -50.7 -51.6 22.1 27.2 22.4 143 146 A E H X S+ 0 0 78 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.893 110.9 53.3 -66.3 -40.6 19.9 28.3 19.6 144 147 A K H X S+ 0 0 134 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.934 111.7 46.2 -55.1 -47.2 22.8 29.4 17.4 145 148 A R H X S+ 0 0 81 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.896 113.4 48.1 -66.9 -40.3 24.5 26.0 17.8 146 149 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.914 111.4 50.1 -68.5 -40.9 21.3 24.1 17.1 147 150 A R H X S+ 0 0 142 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.904 111.9 48.5 -63.1 -38.3 20.5 26.2 14.0 148 151 A R H X S+ 0 0 52 -4,-2.3 4,-2.4 -5,-0.2 3,-0.3 0.901 109.8 52.5 -67.8 -40.1 24.1 25.5 12.7 149 152 A Q H X S+ 0 0 11 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.851 104.0 56.7 -60.5 -36.3 23.7 21.8 13.4 150 153 A A H < S+ 0 0 6 -4,-1.9 -1,-0.2 -100,-0.2 -2,-0.2 0.820 110.8 44.1 -67.2 -31.7 20.5 21.8 11.4 151 154 A Q H >< S+ 0 0 146 -4,-1.2 3,-1.4 -3,-0.3 -2,-0.2 0.866 110.6 54.1 -76.0 -40.9 22.5 23.2 8.4 152 155 A Q H 3< S+ 0 0 124 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.896 119.5 35.3 -55.8 -44.7 25.4 20.7 9.0 153 156 A F T 3< S+ 0 0 26 -4,-2.3 -98,-2.6 -5,-0.2 -1,-0.3 -0.331 88.9 170.3-107.3 49.3 22.8 17.9 8.9 154 157 A S B <> -E 54 0B 29 -3,-1.4 4,-2.7 -100,-0.2 5,-0.3 -0.215 45.8-115.1 -59.6 148.5 20.5 19.4 6.2 155 158 A A H > S+ 0 0 36 -102,-2.1 4,-3.0 1,-0.2 5,-0.3 0.914 116.0 50.1 -51.4 -46.3 17.8 17.0 4.8 156 159 A E H > S+ 0 0 127 -103,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 113.3 45.1 -61.6 -44.1 19.4 17.1 1.3 157 160 A I H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.936 117.8 42.8 -63.0 -49.0 22.9 16.3 2.6 158 161 A V H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.890 111.9 53.3 -69.5 -43.4 21.8 13.5 5.0 159 162 A Q H X S+ 0 0 89 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.899 107.1 53.3 -59.1 -42.6 19.3 12.0 2.5 160 163 A R H X S+ 0 0 139 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.911 109.5 48.4 -58.9 -43.6 22.1 11.8 -0.1 161 164 A Q H < S+ 0 0 86 -4,-1.7 3,-0.2 2,-0.2 -2,-0.2 0.909 111.2 50.1 -58.8 -45.5 24.3 9.9 2.4 162 165 A M H >< S+ 0 0 44 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.855 111.4 48.2 -66.9 -32.5 21.5 7.5 3.3 163 166 A L H 3< S+ 0 0 151 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.748 109.0 55.0 -76.2 -24.4 20.9 6.8 -0.4 164 167 A D T 3< 0 0 138 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.359 360.0 360.0 -86.6 0.9 24.6 6.2 -1.0 165 168 A N < 0 0 142 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.1 0.580 360.0 360.0 -74.7 360.0 24.8 3.6 1.8