==== 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 HYDROLASE 20-MAR-01 1I9T . COMPND 2 MOLECULE: MRNA CAPPING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.CHANGELA,C.K.HO,A.MARTINS,S.SHUMAN,A.MONDRAGON . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9586.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.1 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 . 1 0.5 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 . 8 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 1 0 0 0 0 0 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 5 A K 0 0 198 0, 0.0 30,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.0 26.1 47.6 3.8 2 6 A I - 0 0 16 1,-0.1 4,-0.0 29,-0.1 25,-0.0 -0.278 360.0 -92.4 -68.0 150.3 23.1 46.8 6.0 3 7 A P > - 0 0 11 0, 0.0 3,-1.0 0, 0.0 4,-0.4 -0.271 45.2-101.9 -61.9 152.3 20.0 45.9 4.2 4 8 A P T 3 S+ 0 0 99 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.432 101.8 14.7 -73.8 145.5 17.5 48.7 3.4 5 9 A R T 3 S+ 0 0 98 -2,-0.1 4,-0.1 1,-0.1 185,-0.0 0.641 95.2 109.4 66.4 17.7 14.4 48.9 5.6 6 10 A W X + 0 0 1 -3,-1.0 3,-1.4 1,-0.1 -1,-0.1 0.863 61.9 65.7 -89.8 -36.8 15.9 46.6 8.2 7 11 A L T 3 S+ 0 0 69 -4,-0.4 -1,-0.1 1,-0.3 28,-0.0 0.788 108.7 37.3 -56.8 -37.5 16.5 49.1 11.0 8 12 A N T 3 S+ 0 0 104 180,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.425 93.1 105.2 -93.0 -5.8 12.8 49.9 11.6 9 13 A C S < S- 0 0 5 -3,-1.4 15,-0.1 -4,-0.1 116,-0.0 -0.662 80.3-110.1 -78.7 131.3 11.5 46.4 11.0 10 14 A P - 0 0 62 0, 0.0 14,-0.2 0, 0.0 -1,-0.1 -0.332 21.8-129.2 -59.0 146.1 10.6 44.5 14.2 11 15 A R S S+ 0 0 78 1,-0.1 13,-1.9 12,-0.1 2,-0.3 0.865 82.4 10.3 -66.0 -40.3 13.0 41.7 15.1 12 16 A R B -A 23 0A 109 11,-0.2 11,-0.2 3,-0.0 2,-0.2 -0.963 60.7-141.9-139.7 156.7 10.3 39.1 15.5 13 17 A G - 0 0 6 9,-2.6 143,-0.2 -2,-0.3 142,-0.1 -0.450 46.9 -80.4 -98.3-178.2 6.6 38.4 15.0 14 18 A Q - 0 0 133 141,-2.3 -1,-0.1 -2,-0.2 141,-0.0 -0.559 62.1 -85.9 -75.8 160.4 4.4 36.4 17.3 15 19 A P - 0 0 71 0, 0.0 2,-0.5 0, 0.0 6,-0.2 -0.262 43.2-135.5 -67.1 147.4 4.6 32.6 17.0 16 20 A V B >> S-B 20 0A 0 4,-2.8 4,-2.4 1,-0.2 3,-1.8 -0.934 77.1 -11.3-111.7 125.9 2.4 31.2 14.3 17 21 A A T 34 S- 0 0 31 -2,-0.5 -1,-0.2 1,-0.3 131,-0.0 0.730 118.4 -72.1 59.3 27.1 0.4 28.0 14.9 18 22 A G T 34 S+ 0 0 53 2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.663 131.1 61.6 65.8 17.9 2.3 27.5 18.1 19 23 A R T <4 S+ 0 0 39 -3,-1.8 99,-3.0 1,-0.2 2,-0.4 0.679 79.8 68.2-140.2 -38.0 5.4 26.5 16.2 20 24 A F E < -Bc 16 118A 0 -4,-2.4 -4,-2.8 97,-0.2 -1,-0.2 -0.830 50.5-162.5-102.3 134.3 6.9 29.0 13.8 21 25 A L E - c 0 119A 8 97,-2.8 99,-2.5 -2,-0.4 2,-0.3 -0.913 15.3-148.9-113.2 105.7 8.7 32.2 14.9 22 26 A P E + c 0 120A 0 0, 0.0 -9,-2.6 0, 0.0 2,-0.3 -0.607 25.5 172.0 -76.0 133.7 9.0 34.7 12.0 23 27 A L E -Ac 12 121A 0 97,-2.2 99,-0.7 -2,-0.3 -11,-0.2 -0.951 34.8-123.2-136.0 155.1 12.1 36.9 12.2 24 28 A K - 0 0 3 -13,-1.9 100,-0.2 -2,-0.3 99,-0.2 -0.581 60.0 -76.4 -83.7 169.0 14.0 39.4 10.1 25 29 A T - 0 0 0 98,-1.9 2,-0.1 97,-0.3 -1,-0.1 -0.327 45.3-124.0 -66.8 146.0 17.7 38.4 9.6 26 30 A M - 0 0 0 -3,-0.1 2,-0.4 14,-0.0 16,-0.2 -0.470 18.8-146.8 -73.2 162.2 20.1 38.9 12.5 27 31 A L - 0 0 4 14,-2.0 14,-0.5 -2,-0.1 43,-0.2 -0.995 16.0-136.3-131.5 121.2 23.1 41.0 11.8 28 32 A G > - 0 0 2 41,-2.7 3,-2.2 -2,-0.4 4,-0.1 -0.130 36.7 -84.5 -73.4 179.1 26.3 40.0 13.7 29 33 A P G > S+ 0 0 73 0, 0.0 3,-2.5 0, 0.0 4,-0.3 0.750 117.1 81.5 -54.9 -20.1 28.8 42.3 15.4 30 34 A R G 3 S+ 0 0 132 1,-0.3 3,-0.4 2,-0.1 4,-0.1 0.802 94.8 48.1 -57.9 -28.3 30.5 42.9 12.0 31 35 A Y G X> S+ 0 0 19 -3,-2.2 3,-1.7 38,-0.2 4,-0.8 0.400 77.7 108.3 -94.0 9.3 27.8 45.5 11.4 32 36 A D G X4 S+ 0 0 42 -3,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.807 73.1 59.0 -60.3 -28.7 28.1 47.3 14.7 33 37 A S G 34 S+ 0 0 118 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.771 112.1 40.6 -74.5 -19.6 29.6 50.4 13.2 34 38 A Q G <4 S+ 0 0 82 -3,-1.7 2,-0.5 1,-0.1 -1,-0.2 0.461 111.2 62.1-100.6 -7.2 26.5 50.8 11.0 35 39 A V S << S- 0 0 5 -4,-0.8 -1,-0.1 -3,-0.6 5,-0.1 -0.952 78.9-130.1-129.4 116.9 23.8 49.9 13.6 36 40 A A > - 0 0 43 -2,-0.5 3,-2.1 1,-0.1 4,-0.4 -0.270 32.1-106.5 -62.5 150.1 23.2 51.8 16.8 37 41 A E G > S+ 0 0 140 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.854 118.0 56.4 -44.7 -47.1 23.0 49.8 20.1 38 42 A E G 3 S+ 0 0 119 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.715 110.6 44.4 -63.3 -23.6 19.3 50.2 20.4 39 43 A N G < S+ 0 0 52 -3,-2.1 -1,-0.3 2,-0.0 -2,-0.2 0.322 85.3 122.5-102.6 4.3 18.7 48.7 16.9 40 44 A R < - 0 0 70 -3,-1.6 -12,-0.1 -4,-0.4 -4,-0.0 -0.325 34.0-178.1 -72.1 156.7 21.1 45.7 17.1 41 45 A F + 0 0 7 -14,-0.5 -14,-2.0 -13,-0.1 -1,-0.1 -0.510 12.0 172.1-149.9 66.7 20.0 42.2 16.6 42 46 A H >> - 0 0 40 -16,-0.2 3,-1.6 1,-0.1 4,-1.1 -0.470 48.9-108.0 -69.6 158.2 22.9 39.9 17.0 43 47 A P H >> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.902 119.8 63.3 -52.3 -37.9 22.2 36.1 17.1 44 48 A S H 3> S+ 0 0 49 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.807 95.1 59.9 -58.3 -31.2 23.0 36.2 20.8 45 49 A M H <> S+ 0 0 76 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.958 106.3 46.3 -66.0 -39.8 20.0 38.5 21.4 46 50 A L H <>S+ 0 0 9 -4,-2.4 5,-2.2 1,-0.2 3,-1.0 0.925 111.1 51.5 -58.7 -43.8 14.6 32.4 24.3 51 55 A K H ><5S+ 0 0 113 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.872 103.1 59.7 -59.8 -38.9 16.6 31.3 27.3 52 56 A S H 3<5S+ 0 0 82 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.765 111.3 40.7 -62.6 -26.3 14.9 34.0 29.4 53 57 A L T <<5S- 0 0 92 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.347 113.1-115.6-100.8 6.2 11.6 32.3 28.7 54 58 A K T < 5S+ 0 0 201 -3,-1.6 2,-0.4 -4,-0.3 -3,-0.2 0.917 70.9 139.5 57.3 45.2 12.8 28.8 29.1 55 59 A V < - 0 0 50 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.2 -0.929 40.6-151.6-120.5 138.1 12.0 28.2 25.4 56 60 A K - 0 0 135 59,-0.4 61,-2.3 -2,-0.4 2,-0.5 -0.911 6.9-144.9-109.6 146.9 14.2 26.2 23.0 57 61 A M E -d 117 0A 7 -2,-0.4 61,-0.2 59,-0.2 24,-0.2 -0.947 9.7-167.9-104.5 124.1 14.4 26.7 19.2 58 62 A S E + 0 0 1 59,-2.4 23,-1.7 -2,-0.5 2,-0.3 0.807 69.4 5.6 -80.3 -29.3 14.9 23.4 17.5 59 63 A L E -de 118 81A 0 58,-1.0 60,-2.4 21,-0.2 2,-0.5 -0.984 54.8-152.6-158.1 141.3 15.8 24.8 14.1 60 64 A L E -de 119 82A 0 21,-2.4 23,-2.3 -2,-0.3 2,-0.6 -0.998 15.9-156.9-119.7 120.1 16.4 28.1 12.4 61 65 A V E -de 120 83A 0 58,-2.8 60,-2.5 -2,-0.5 2,-0.6 -0.921 4.7-159.6-103.4 115.4 15.7 28.2 8.7 62 66 A D E +de 121 84A 3 21,-2.9 23,-2.6 -2,-0.6 3,-0.3 -0.866 14.8 176.1-100.2 114.7 17.6 31.0 6.8 63 67 A L + 0 0 0 58,-3.3 60,-0.2 -2,-0.6 24,-0.2 0.050 52.1 100.3-104.3 19.5 16.0 31.9 3.5 64 68 A T S S- 0 0 13 58,-0.2 -1,-0.2 57,-0.2 58,-0.1 0.629 75.0-138.9 -84.3 -17.3 18.4 34.7 2.6 65 69 A N S S+ 0 0 46 -3,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.686 73.0 87.4 65.1 25.6 20.6 32.9 0.1 66 70 A T - 0 0 24 1,-0.1 -2,-0.2 0, 0.0 -1,-0.2 -0.970 60.1-156.6-150.6 154.1 23.7 34.7 1.7 67 71 A S S S+ 0 0 85 -2,-0.3 3,-0.2 1,-0.1 5,-0.1 0.270 74.5 94.4-112.9 11.2 26.2 34.2 4.5 68 72 A R S S+ 0 0 138 1,-0.2 3,-0.1 3,-0.1 -1,-0.1 0.570 72.8 62.3 -80.4 -9.3 27.1 37.9 4.9 69 73 A F S S- 0 0 3 1,-0.3 -41,-2.7 -3,-0.1 2,-0.3 0.877 112.6 -15.2 -88.1 -41.2 24.7 38.8 7.6 70 74 A Y S S- 0 0 10 -43,-0.2 2,-0.6 -3,-0.2 -1,-0.3 -0.976 70.4 -90.6-155.5 168.1 25.7 36.7 10.6 71 75 A D > - 0 0 75 -2,-0.3 3,-1.8 1,-0.2 4,-0.5 -0.719 23.3-150.2 -88.9 118.9 27.8 33.7 11.6 72 76 A R T >> S+ 0 0 123 -2,-0.6 4,-2.2 1,-0.3 3,-1.4 0.824 93.9 69.9 -57.2 -26.6 25.8 30.5 11.6 73 77 A N H 3> S+ 0 0 84 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.809 86.8 65.4 -63.7 -22.6 28.0 29.1 14.4 74 78 A D H <4 S+ 0 0 42 -3,-1.8 -1,-0.3 2,-0.2 4,-0.2 0.797 110.2 38.1 -70.4 -23.8 26.4 31.6 16.8 75 79 A I H X4>S+ 0 0 1 -3,-1.4 5,-1.4 -4,-0.5 3,-1.2 0.883 117.2 48.9 -86.3 -48.4 23.2 29.7 16.3 76 80 A E H ><5S+ 0 0 68 -4,-2.2 3,-2.0 1,-0.3 -2,-0.2 0.839 101.3 63.2 -66.0 -31.1 24.7 26.2 16.2 77 81 A K T 3<5S+ 0 0 113 -4,-2.8 -1,-0.3 1,-0.3 -3,-0.1 0.724 99.4 56.7 -68.5 -18.6 26.8 26.7 19.3 78 82 A E T < 5S- 0 0 61 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.262 124.6-102.1 -91.8 8.3 23.5 27.1 21.3 79 83 A G T < 5S+ 0 0 64 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.675 79.4 134.5 83.4 13.2 22.2 23.7 20.1 80 84 A I < - 0 0 14 -5,-1.4 -1,-0.3 -21,-0.0 -21,-0.2 -0.863 58.0-123.2 -96.9 132.0 19.9 25.1 17.5 81 85 A K E -e 59 0A 79 -23,-1.7 -21,-2.4 -2,-0.5 2,-0.4 -0.506 26.9-153.6 -72.9 136.4 20.0 23.3 14.1 82 86 A Y E +e 60 0A 12 -23,-0.2 2,-0.4 -2,-0.2 -21,-0.2 -0.956 16.0 176.9-116.8 130.1 20.8 25.8 11.3 83 87 A I E -e 61 0A 46 -23,-2.3 -21,-2.9 -2,-0.4 2,-0.7 -0.992 20.7-152.6-132.1 129.8 19.7 25.3 7.6 84 88 A K E -e 62 0A 57 -2,-0.4 2,-0.7 -23,-0.2 -21,-0.2 -0.912 19.1-165.2 -97.2 109.8 20.3 27.7 4.7 85 89 A L - 0 0 8 -23,-2.6 2,-0.2 -2,-0.7 -20,-0.1 -0.899 12.7-140.4-104.3 104.3 17.4 27.0 2.4 86 90 A Q - 0 0 115 -2,-0.7 2,-0.3 -22,-0.1 -23,-0.1 -0.441 21.6-163.1 -71.6 124.0 18.1 28.5 -1.1 87 91 A C - 0 0 7 -2,-0.2 5,-0.1 -24,-0.2 6,-0.0 -0.818 32.7 -80.5-108.3 154.3 14.9 29.9 -2.6 88 92 A K - 0 0 72 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.222 54.2-153.0 -48.6 130.3 14.1 30.9 -6.2 89 93 A G > + 0 0 24 1,-0.1 3,-2.3 2,-0.1 -1,-0.1 0.234 63.9 77.3 -91.4-151.9 15.6 34.4 -6.9 90 94 A H T 3 S- 0 0 178 1,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.783 122.4 -70.1 57.3 24.6 14.7 37.2 -9.2 91 95 A G T 3 S+ 0 0 35 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.470 97.3 140.7 73.2 4.6 11.9 38.3 -6.8 92 96 A E < - 0 0 100 -3,-2.3 -1,-0.2 1,-0.1 3,-0.1 -0.330 58.2-102.9 -75.5 155.5 9.8 35.2 -7.8 93 97 A C - 0 0 19 1,-0.2 -1,-0.1 -3,-0.1 -5,-0.1 -0.387 53.8 -75.3 -76.5 163.7 7.9 33.3 -5.1 94 98 A P - 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -7,-0.1 -0.233 54.3-119.9 -53.9 137.8 9.3 30.1 -3.7 95 99 A T > - 0 0 37 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.228 25.0-103.5 -72.9 171.9 8.9 27.2 -6.2 96 100 A T H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 126.1 54.3 -62.9 -35.8 6.9 24.0 -5.4 97 101 A E H > S+ 0 0 121 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.931 107.0 49.8 -63.5 -43.7 10.3 22.3 -4.9 98 102 A N H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 111.6 48.8 -58.9 -41.5 11.4 25.0 -2.4 99 103 A T H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.923 110.5 50.2 -67.8 -39.0 8.1 24.5 -0.5 100 104 A E H X S+ 0 0 124 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.907 109.9 51.7 -63.5 -38.7 8.6 20.7 -0.5 101 105 A T H X S+ 0 0 48 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.939 111.5 47.2 -63.3 -43.8 12.2 21.2 0.8 102 106 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.918 113.8 46.4 -63.2 -43.5 10.9 23.4 3.6 103 107 A I H X S+ 0 0 12 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.945 110.5 52.4 -67.8 -41.3 8.1 21.0 4.6 104 108 A R H < S+ 0 0 111 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.881 115.3 43.3 -59.3 -42.1 10.4 17.9 4.5 105 109 A L H >< S+ 0 0 6 -4,-2.1 3,-1.2 -5,-0.2 -2,-0.2 0.952 114.9 46.1 -69.2 -53.9 12.8 19.7 6.8 106 110 A C H >X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.3 3,-1.9 0.839 102.4 64.6 -65.8 -28.5 10.3 21.2 9.2 107 111 A E T 3< S+ 0 0 97 -4,-2.6 4,-0.4 1,-0.3 -1,-0.3 0.733 94.7 61.1 -68.8 -17.5 8.3 18.0 9.6 108 112 A R T <4 S+ 0 0 145 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.508 119.3 26.0 -75.7 -13.3 11.3 16.3 11.3 109 113 A F T X4 S+ 0 0 18 -3,-1.9 3,-1.1 -4,-0.2 7,-0.2 0.554 96.0 83.9-124.3 -22.4 11.2 19.0 14.1 110 114 A N T 3< S+ 0 0 17 -4,-2.1 6,-0.2 1,-0.2 -3,-0.1 0.754 89.4 55.9 -61.5 -25.7 7.7 20.3 14.5 111 115 A E T 3 S+ 0 0 172 -4,-0.4 -1,-0.2 4,-0.1 2,-0.1 0.027 74.9 135.7-101.6 32.7 6.5 17.4 16.8 112 116 A R < - 0 0 105 -3,-1.1 4,-0.2 4,-0.1 -3,-0.1 -0.446 50.2-114.6 -72.9 153.3 9.2 17.6 19.6 113 117 A S S S+ 0 0 118 2,-0.1 -2,-0.0 -2,-0.1 3,-0.0 -0.988 104.6 36.3-142.2 126.0 8.3 17.3 23.3 114 118 A P S S- 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.519 116.6-105.9 -67.8 160.7 8.6 19.4 25.1 115 119 A P - 0 0 89 0, 0.0 -59,-0.4 0, 0.0 2,-0.3 -0.168 39.6-174.9 -59.7 142.7 7.6 21.8 22.3 116 120 A E - 0 0 26 -4,-0.2 -59,-0.2 -7,-0.2 2,-0.2 -0.941 21.6-114.0-135.5 158.3 10.2 23.9 20.6 117 121 A L E - d 0 57A 26 -61,-2.3 -59,-2.4 -2,-0.3 -58,-1.0 -0.602 11.2-141.0 -94.9 157.9 10.0 26.7 18.1 118 122 A I E -cd 20 59A 0 -99,-3.0 -97,-2.8 -2,-0.2 2,-0.3 -0.986 20.3-147.5-111.1 117.2 11.2 26.7 14.5 119 123 A G E -cd 21 60A 0 -60,-2.4 -58,-2.8 -2,-0.5 2,-0.4 -0.606 15.1-170.8 -82.0 142.6 12.6 30.2 13.6 120 124 A V E +cd 22 61A 0 -99,-2.5 -97,-2.2 -2,-0.3 2,-0.3 -0.986 9.9 167.8-132.8 127.7 12.2 31.3 10.0 121 125 A H E +cd 23 62A 0 -60,-2.5 -58,-3.3 -2,-0.4 -57,-0.2 -0.999 19.8 173.5-144.4 151.7 13.8 34.4 8.4 122 126 A X - 0 0 16 -99,-0.7 -97,-0.3 -2,-0.3 -58,-0.2 -0.281 69.4 -69.0-120.3-152.2 14.5 36.0 5.0 123 127 A T S S+ 0 0 34 -60,-0.2 -98,-1.9 -99,-0.2 -59,-0.1 0.948 132.6 12.5 -72.8 -44.4 16.0 39.5 5.0 124 128 A H S S- 0 0 22 -100,-0.2 -1,-0.1 -101,-0.0 -100,-0.1 0.664 98.9-121.1-105.2 -19.4 13.0 41.2 6.4 125 129 A G S S+ 0 0 0 -101,-0.1 -101,-0.1 -116,-0.0 34,-0.1 0.766 83.7 83.4 88.8 21.6 10.8 38.3 7.7 126 130 A F S > S+ 0 0 3 3,-0.1 4,-1.4 32,-0.0 5,-0.2 0.752 84.1 29.6-120.7 -61.1 7.6 38.9 5.6 127 131 A N H > S+ 0 0 6 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.989 127.4 26.9 -78.7 -60.1 7.3 37.5 2.1 128 132 A R H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.933 126.8 50.7 -64.1 -41.2 9.4 34.4 1.7 129 133 A T H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.943 114.0 41.8 -60.2 -51.1 9.0 33.7 5.4 130 134 A G H X S+ 0 0 0 -4,-1.4 4,-2.8 1,-0.2 5,-0.3 0.898 112.4 56.1 -65.2 -38.3 5.2 34.1 5.4 131 135 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.944 111.7 40.9 -59.2 -50.2 4.9 32.1 2.1 132 136 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.870 114.8 51.3 -69.3 -41.2 6.7 29.0 3.4 133 137 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.941 112.3 47.4 -60.1 -44.8 5.0 29.1 6.8 134 138 A C H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.908 109.5 53.2 -62.5 -42.1 1.6 29.4 5.1 135 139 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.913 110.5 47.5 -59.5 -40.2 2.4 26.5 2.8 136 140 A F H X>S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-1.3 0.909 109.3 53.7 -66.7 -40.2 3.4 24.3 5.8 137 141 A L H <5S+ 0 0 0 -4,-2.6 6,-2.2 3,-0.2 4,-0.4 0.898 116.3 39.0 -62.2 -39.2 0.2 25.3 7.7 138 142 A V H X5S+ 0 0 24 -4,-2.2 4,-0.6 4,-0.2 -2,-0.2 0.943 122.2 38.9 -75.9 -51.1 -2.0 24.2 4.7 139 143 A E H <5S+ 0 0 100 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.853 133.4 18.3 -72.9 -35.8 -0.1 21.2 3.5 140 144 A K T <5S+ 0 0 73 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.1 0.690 129.7 39.9-106.8 -28.0 0.8 19.7 6.9 141 145 A M T 4 - 0 0 58 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.496 24.0-121.4 -77.5 157.7 -7.2 26.8 5.2 145 149 A I H > S+ 0 0 2 28,-0.4 4,-2.6 1,-0.2 5,-0.3 0.885 114.4 57.6 -69.7 -31.1 -5.1 29.2 3.1 146 150 A E H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.938 109.5 44.3 -60.8 -45.9 -7.4 32.0 4.2 147 151 A A H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.889 113.0 51.4 -65.4 -40.9 -6.7 31.3 7.9 148 152 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.950 112.6 43.8 -63.6 -50.7 -2.9 30.9 7.3 149 153 A V H X S+ 0 0 17 -4,-2.6 4,-2.2 1,-0.2 11,-0.2 0.903 115.7 48.2 -64.5 -42.5 -2.5 34.2 5.5 150 154 A A H X S+ 0 0 47 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.881 111.9 49.2 -65.6 -40.7 -4.7 36.1 8.0 151 155 A T H X S+ 0 0 47 -4,-2.5 4,-2.7 2,-0.2 3,-0.3 0.917 111.4 49.3 -65.1 -42.3 -2.9 34.6 11.0 152 156 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 7,-0.2 0.926 108.5 53.8 -64.6 -35.4 0.5 35.5 9.5 153 157 A A H < S+ 0 0 34 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.806 113.7 42.0 -65.1 -35.5 -0.8 39.1 8.8 154 158 A Q H < S+ 0 0 160 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.837 116.8 47.6 -80.2 -32.9 -1.8 39.5 12.5 155 159 A A H < S+ 0 0 9 -4,-2.7 -141,-2.3 1,-0.3 -2,-0.2 0.832 130.2 18.9 -74.2 -32.0 1.4 37.8 13.9 156 160 A R S >< S- 0 0 5 -4,-2.5 3,-2.5 -143,-0.2 -1,-0.3 -0.573 107.0-117.1-140.5 65.2 3.9 39.7 11.7 157 161 A P T 3 S+ 0 0 83 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.271 92.5 16.6 -59.8 135.7 2.0 42.8 10.5 158 162 A P T 3 S- 0 0 22 0, 0.0 -5,-0.1 0, 0.0 2,-0.1 -0.961 94.4-158.6 -94.9 17.9 1.4 43.6 7.8 159 163 A G < - 0 0 0 -3,-2.5 2,-0.2 -7,-0.2 -32,-0.1 -0.451 57.8 -2.4 85.4-163.2 2.1 40.0 6.7 160 164 A I + 0 0 8 -11,-0.2 -33,-0.1 1,-0.1 -7,-0.0 -0.487 64.3 177.3 -62.4 128.0 2.9 39.0 3.1 161 165 A Y + 0 0 40 -2,-0.2 2,-0.7 21,-0.1 -1,-0.1 0.417 46.1 98.8-119.4 0.7 2.7 42.2 1.1 162 166 A K >> - 0 0 74 1,-0.2 4,-1.8 20,-0.1 3,-0.9 -0.794 62.8-151.0 -87.5 116.9 3.8 41.1 -2.4 163 167 A G H 3> S+ 0 0 21 -2,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.858 94.5 57.5 -58.0 -33.7 0.5 40.6 -4.3 164 168 A D H 3> S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.820 105.3 52.1 -66.8 -28.8 2.1 38.0 -6.6 165 169 A Y H <> S+ 0 0 4 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.910 110.1 47.1 -71.5 -42.9 2.9 35.9 -3.5 166 170 A L H X S+ 0 0 4 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.923 113.2 49.5 -63.5 -41.5 -0.7 36.1 -2.2 167 171 A K H X S+ 0 0 108 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.925 109.8 50.1 -65.1 -41.2 -2.0 35.2 -5.6 168 172 A E H X S+ 0 0 38 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.883 108.6 52.4 -66.7 -34.9 0.3 32.2 -5.9 169 173 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.922 112.6 45.2 -66.5 -37.4 -0.7 30.9 -2.5 170 174 A F H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.874 111.3 53.2 -73.7 -33.0 -4.4 31.1 -3.4 171 175 A R H < S+ 0 0 135 -4,-2.5 -2,-0.2 4,-0.2 -1,-0.2 0.907 116.8 38.8 -66.6 -40.1 -3.7 29.5 -6.8 172 176 A R H < S+ 0 0 53 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.884 135.0 17.3 -72.7 -41.8 -1.9 26.6 -5.1 173 177 A Y H < S+ 0 0 49 -4,-2.5 -28,-0.4 -5,-0.2 -3,-0.2 0.472 128.3 0.1-116.8 -6.1 -4.2 26.2 -2.1 174 178 A G S < S- 0 0 42 -4,-2.5 2,-0.6 -5,-0.2 3,-0.1 -0.443 102.3 -40.1-144.7-129.9 -7.5 27.9 -2.7 175 179 A D > - 0 0 67 -2,-0.2 3,-2.1 1,-0.1 -4,-0.2 -0.966 40.0-149.7-117.5 115.8 -9.2 29.9 -5.5 176 180 A I G > S+ 0 0 75 -2,-0.6 3,-1.7 1,-0.3 -5,-0.2 0.818 96.7 63.5 -54.5 -32.3 -6.9 32.4 -7.2 177 181 A E G 3 S+ 0 0 170 1,-0.3 -1,-0.3 -7,-0.1 -10,-0.0 0.681 101.0 51.8 -66.7 -19.9 -9.9 34.7 -7.8 178 182 A E G < S+ 0 0 120 -3,-2.1 -1,-0.3 -11,-0.1 -2,-0.2 0.327 77.0 129.4 -98.7 7.6 -10.3 35.1 -4.0 179 183 A A < - 0 0 16 -3,-1.7 -12,-0.1 -4,-0.2 -13,-0.0 -0.352 61.5-119.5 -60.7 138.4 -6.7 36.1 -3.3 180 184 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.409 24.6-109.0 -77.2 153.0 -6.6 39.3 -1.3 181 185 A P - 0 0 104 0, 0.0 -19,-0.1 0, 0.0 0, 0.0 -0.398 51.0 -84.0 -69.7 162.5 -4.9 42.4 -2.6 182 186 A P - 0 0 63 0, 0.0 -21,-0.1 0, 0.0 -20,-0.1 -0.311 53.8-102.7 -66.2 153.6 -1.7 43.3 -0.8 183 187 A P - 0 0 46 0, 0.0 2,-0.3 0, 0.0 -20,-0.1 -0.331 33.5-101.6 -73.5 157.7 -2.2 45.3 2.4 184 188 A V - 0 0 145 1,-0.1 0, 0.0 -2,-0.0 0, 0.0 -0.656 48.9-120.4 -74.6 134.9 -1.5 49.0 2.6 185 189 A L - 0 0 53 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.437 18.9-109.8 -80.9 156.3 1.9 49.4 4.2 186 190 A P > - 0 0 44 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.429 32.4-107.7 -76.3 155.8 2.6 51.2 7.5 187 191 A D G > S+ 0 0 158 1,-0.2 3,-1.3 2,-0.1 -2,-0.1 0.820 110.7 70.5 -56.1 -31.8 4.6 54.5 7.5 188 192 A W G 3 S+ 0 0 77 1,-0.3 -1,-0.2 2,-0.2 -180,-0.1 0.790 80.7 76.6 -61.6 -27.9 7.8 52.9 9.0 189 193 A C G < 0 0 10 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.738 360.0 360.0 -50.2 -37.5 8.5 50.9 5.7 190 194 A F < 0 0 194 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.322 360.0 360.0-113.9 360.0 9.9 53.9 3.9