==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JAN-11 3QIC . COMPND 2 MOLECULE: GLUCOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.LIU,S.LIU,J.LIU . 453 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 9.9 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 28 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 0 0 1 2 0 0 1 1 2 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 0 0 2 0 2 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 . 1 0 1 1 2 0 1 0 0 1 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 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 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 7 A Y > 0 0 224 0, 0.0 4,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.2 14.8 35.5 47.7 2 8 A F H > + 0 0 116 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.888 360.0 49.3 -65.1 -47.8 13.2 34.0 50.8 3 9 A Q H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 111.4 52.3 -67.8 -35.4 15.6 31.1 51.6 4 10 A G H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.877 105.9 54.6 -59.9 -38.4 18.4 33.7 51.3 5 11 A M H X S+ 0 0 73 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.912 108.8 47.8 -65.6 -41.4 16.6 35.9 53.8 6 12 A K H X S+ 0 0 23 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.913 111.7 50.1 -62.6 -43.1 16.4 33.1 56.3 7 13 A K H X S+ 0 0 71 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.870 107.0 53.5 -68.4 -39.2 20.1 32.3 55.9 8 14 A E H X S+ 0 0 133 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.942 110.7 47.3 -56.8 -48.2 21.2 35.9 56.3 9 15 A K H X S+ 0 0 100 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.875 111.8 50.9 -62.1 -37.3 19.3 36.0 59.6 10 16 A V H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 3,-0.5 0.927 106.8 54.2 -62.3 -46.5 20.8 32.7 60.6 11 17 A E H X S+ 0 0 75 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.805 104.8 53.9 -58.8 -32.7 24.3 33.9 59.8 12 18 A Q H < S+ 0 0 134 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.784 110.3 47.2 -74.2 -30.0 23.8 37.0 62.1 13 19 A I H < S+ 0 0 22 -4,-1.2 3,-0.4 -3,-0.5 -2,-0.2 0.809 115.1 46.0 -74.4 -32.8 22.9 34.6 64.9 14 20 A L H >< S+ 0 0 4 -4,-1.9 3,-2.1 1,-0.2 -2,-0.2 0.638 90.6 80.4 -87.9 -15.6 25.9 32.4 64.2 15 21 A A G >< S+ 0 0 39 -4,-1.2 3,-2.6 1,-0.3 -1,-0.2 0.827 77.8 75.1 -59.4 -31.9 28.4 35.3 63.9 16 22 A E G 3 S+ 0 0 88 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.742 87.7 61.3 -44.8 -30.9 28.4 35.2 67.7 17 23 A F G < S+ 0 0 8 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.505 80.7 113.7 -79.8 -6.8 30.6 32.1 67.3 18 24 A Q < - 0 0 128 -3,-2.6 2,-0.4 -4,-0.2 353,-0.0 -0.323 48.3-162.9 -67.4 147.9 33.4 33.8 65.5 19 25 A L - 0 0 30 -2,-0.0 -2,-0.0 4,-0.0 5,-0.0 -0.931 9.6-147.0-132.9 113.7 36.8 34.3 67.1 20 26 A Q >> - 0 0 121 -2,-0.4 4,-1.6 1,-0.1 3,-1.1 -0.323 31.3-105.7 -69.9 159.7 39.2 36.8 65.7 21 27 A E H 3> S+ 0 0 80 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.871 122.9 53.6 -55.3 -38.9 43.0 36.2 65.8 22 28 A E H 3> S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.774 104.4 55.2 -69.5 -26.1 43.3 38.7 68.6 23 29 A D H <> S+ 0 0 34 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.862 110.3 46.7 -69.2 -35.7 40.7 36.8 70.6 24 30 A L H X S+ 0 0 1 -4,-1.6 4,-3.3 2,-0.2 -2,-0.2 0.867 110.3 50.3 -77.1 -39.6 42.7 33.7 70.2 25 31 A K H X S+ 0 0 72 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.920 109.7 52.7 -62.9 -42.5 46.0 35.3 71.2 26 32 A K H X S+ 0 0 78 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.954 113.0 43.7 -54.8 -52.2 44.3 36.7 74.2 27 33 A V H X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.927 113.2 52.6 -58.4 -46.5 43.1 33.2 75.1 28 34 A M H X S+ 0 0 19 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.911 110.8 46.1 -58.4 -42.9 46.5 31.7 74.4 29 35 A R H X S+ 0 0 118 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.901 112.2 50.6 -69.9 -40.8 48.3 34.2 76.6 30 36 A R H X S+ 0 0 68 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.908 108.7 52.5 -60.2 -43.7 45.8 33.7 79.4 31 37 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.903 107.8 52.6 -56.1 -43.0 46.3 29.9 79.1 32 38 A Q H X S+ 0 0 43 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.885 106.3 52.5 -64.5 -40.6 50.1 30.4 79.4 33 39 A K H X S+ 0 0 114 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.878 110.1 48.3 -59.2 -40.4 49.7 32.4 82.6 34 40 A E H X S+ 0 0 14 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.900 109.7 52.3 -70.0 -37.4 47.6 29.6 84.1 35 41 A M H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.945 108.7 50.7 -59.4 -48.8 50.2 27.0 83.1 36 42 A D H X S+ 0 0 65 -4,-2.5 4,-0.5 1,-0.2 3,-0.4 0.937 112.2 47.5 -52.5 -50.3 52.9 29.1 84.8 37 43 A R H >< S+ 0 0 37 -4,-2.1 3,-0.6 1,-0.2 10,-0.2 0.814 108.1 54.4 -62.0 -33.6 50.9 29.3 87.9 38 44 A G H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.790 105.5 54.1 -73.5 -26.9 50.1 25.5 87.9 39 45 A L H 3< S+ 0 0 9 -4,-1.6 197,-1.1 -3,-0.4 2,-0.4 0.580 94.5 83.6 -81.6 -12.1 53.8 24.6 87.8 40 46 A R S > S+ 0 0 18 -3,-0.5 4,-1.1 -6,-0.2 3,-0.8 0.443 93.7 94.8-107.9 -3.9 50.3 29.2 93.1 44 50 A H T 3< S+ 0 0 7 -4,-1.8 3,-0.3 1,-0.3 -2,-0.1 0.828 81.7 54.5 -59.9 -37.4 49.7 25.5 92.3 45 51 A E T 34 S+ 0 0 144 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.800 115.7 38.6 -71.1 -24.0 46.8 25.0 94.7 46 52 A E T <4 S+ 0 0 113 -3,-0.8 -1,-0.2 -9,-0.2 -2,-0.2 0.483 88.6 113.9-105.9 -6.2 44.9 28.0 93.2 47 53 A A < - 0 0 3 -4,-1.1 3,-0.1 -3,-0.3 -13,-0.1 -0.380 57.1-151.0 -64.5 141.7 45.7 27.4 89.5 48 54 A S S S+ 0 0 9 1,-0.2 2,-0.8 -2,-0.1 205,-0.2 0.901 93.9 58.2 -76.6 -42.0 42.8 26.5 87.3 49 55 A V S S- 0 0 0 1,-0.1 -1,-0.2 204,-0.1 201,-0.1 -0.796 76.7-165.8 -90.3 106.5 45.3 24.6 85.1 50 56 A K - 0 0 52 -2,-0.8 200,-0.2 200,-0.3 -1,-0.1 0.634 7.5-156.1 -75.2 -23.2 46.9 22.1 87.4 51 57 A M - 0 0 3 198,-1.9 198,-0.3 1,-0.2 199,-0.1 0.925 21.2-157.2 44.8 65.0 49.9 20.9 85.4 52 58 A L E -A 248 0A 1 196,-2.9 196,-3.4 195,-0.1 -1,-0.2 -0.574 13.7-122.0 -80.4 130.0 50.1 17.6 87.2 53 59 A P E -A 247 0A 12 0, 0.0 97,-0.6 0, 0.0 194,-0.2 -0.497 22.0-168.8 -64.4 136.8 53.5 15.7 87.2 54 60 A T E - 0 0 6 192,-2.0 193,-0.1 2,-0.2 3,-0.1 0.531 30.4-128.8-105.1 -12.8 53.1 12.2 85.6 55 61 A Y E + 0 0 70 191,-0.4 2,-0.8 1,-0.3 98,-0.2 0.579 65.5 135.2 66.5 11.4 56.4 10.7 86.6 56 62 A V E - 0 0 16 190,-0.4 190,-2.7 97,-0.0 -1,-0.3 -0.839 41.2-165.2 -84.6 109.4 56.9 9.7 83.0 57 63 A R E -A 245 0A 93 -2,-0.8 188,-0.2 188,-0.2 4,-0.1 -0.643 32.0-130.5-105.2 156.8 60.5 10.7 82.4 58 64 A S S S+ 0 0 59 186,-1.8 187,-0.1 -2,-0.2 -1,-0.1 0.703 70.3 119.2 -77.3 -19.6 62.6 11.2 79.2 59 65 A T S S- 0 0 64 185,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.219 78.1-111.8 -46.8 121.8 65.4 9.1 80.6 60 66 A P - 0 0 128 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.450 50.7-168.4 -53.4 127.2 66.1 6.1 78.5 61 67 A E - 0 0 101 -2,-0.1 388,-0.0 -4,-0.1 0, 0.0 -0.971 23.8 -97.9-138.6 142.1 64.9 3.3 80.8 62 68 A G - 0 0 46 -2,-0.4 2,-0.4 390,-0.1 390,-0.3 -0.251 40.8-164.2 -60.8 136.4 65.0 -0.5 81.0 63 69 A S - 0 0 13 388,-0.1 386,-0.2 387,-0.1 385,-0.1 -0.968 15.1-142.1-128.5 137.2 62.0 -2.4 79.8 64 70 A E - 0 0 68 384,-2.0 2,-0.3 -2,-0.4 388,-0.1 -0.163 24.0-142.4 -70.2-179.5 60.6 -5.9 80.2 65 71 A V + 0 0 73 2,-0.1 2,-0.3 21,-0.0 21,-0.2 -0.906 47.4 68.1-142.7 168.5 58.9 -7.6 77.2 66 72 A G E S-F 85 0B 27 19,-2.7 19,-2.6 -2,-0.3 2,-0.4 -0.891 82.3 -15.5 122.5-152.4 55.9 -9.9 76.7 67 73 A D E -F 84 0B 41 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.776 52.3-177.3-102.5 137.0 52.2 -9.6 77.2 68 74 A F E -F 83 0B 4 15,-2.7 15,-3.0 -2,-0.4 2,-0.5 -0.986 23.4-133.7-132.3 138.9 50.3 -6.8 79.0 69 75 A L E -Fg 82 140B 0 70,-1.6 72,-2.7 -2,-0.4 2,-0.5 -0.797 24.5-163.4 -83.8 129.4 46.7 -6.2 79.8 70 76 A S E -Fg 81 141B 1 11,-3.1 11,-2.5 -2,-0.5 2,-0.4 -0.976 3.9-166.7-115.3 130.4 45.7 -2.6 79.1 71 77 A L E -Fg 80 142B 0 70,-2.6 72,-3.1 -2,-0.5 2,-0.4 -0.890 1.5-164.4-109.8 146.5 42.5 -1.1 80.5 72 78 A D E +Fg 79 143B 16 7,-2.3 7,-2.2 -2,-0.4 2,-0.4 -0.917 12.2 170.8-138.1 107.7 41.1 2.2 79.3 73 79 A L E + g 0 144B 0 70,-2.7 72,-2.6 -2,-0.4 5,-0.1 -0.971 52.3 53.5-116.7 129.6 38.5 4.1 81.2 74 80 A G S S+ 0 0 1 -2,-0.4 -1,-0.1 3,-0.3 4,-0.1 0.330 83.6 81.9 136.5 -6.1 37.3 7.7 80.5 75 81 A G S S- 0 0 21 2,-0.7 -1,-0.2 -3,-0.2 3,-0.0 0.025 105.0 -63.7 -94.1-151.0 36.2 7.7 76.8 76 82 A T S S+ 0 0 82 -2,-0.1 28,-0.4 -3,-0.1 2,-0.2 0.962 118.5 15.9 -62.4 -53.3 32.9 6.6 75.4 77 83 A N S S- 0 0 40 26,-0.1 -2,-0.7 -4,-0.0 2,-0.5 -0.652 81.9-106.1-117.0 172.5 33.4 3.0 76.4 78 84 A F E - H 0 102B 0 24,-3.2 24,-3.0 -2,-0.2 2,-0.4 -0.862 40.9-157.6 -96.2 132.8 35.6 1.0 78.7 79 85 A R E -FH 72 101B 57 -7,-2.2 -7,-2.3 -2,-0.5 2,-0.4 -0.940 13.9-164.8-121.2 139.0 38.2 -0.9 76.7 80 86 A V E +FH 71 100B 0 20,-2.5 20,-2.1 -2,-0.4 2,-0.4 -0.984 18.4 177.7-120.5 130.8 40.2 -4.0 77.5 81 87 A M E -FH 70 99B 1 -11,-2.5 -11,-3.1 -2,-0.4 2,-0.5 -0.991 29.2-142.9-141.6 132.6 43.2 -4.9 75.4 82 88 A L E -FH 69 98B 7 16,-1.5 15,-3.0 -2,-0.4 16,-1.3 -0.859 31.0-170.7 -89.6 128.0 46.0 -7.5 75.3 83 89 A V E -FH 68 96B 0 -15,-3.0 -15,-2.7 -2,-0.5 2,-0.6 -0.979 15.9-148.1-124.8 133.6 49.2 -5.8 74.1 84 90 A K E -FH 67 95B 82 11,-3.0 11,-2.4 -2,-0.4 2,-0.5 -0.882 13.0-167.9-101.1 126.5 52.5 -7.3 73.1 85 91 A V E +FH 66 94B 2 -19,-2.6 -19,-2.7 -2,-0.6 2,-0.3 -0.937 16.6 161.7-109.9 131.4 55.6 -5.3 73.9 86 92 A G E - H 0 93B 7 7,-1.9 7,-1.4 -2,-0.5 2,-0.3 -0.969 39.4-100.4-144.6 163.5 58.9 -6.3 72.3 87 93 A E E - H 0 92B 126 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.675 36.3-165.0 -86.0 136.5 62.4 -5.0 71.6 88 94 A G - 0 0 22 3,-3.7 -1,-0.0 -2,-0.3 0, 0.0 -0.720 41.1 -94.9-114.7 167.9 63.2 -3.8 68.0 89 95 A E S S+ 0 0 204 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.740 126.2 26.3 -53.9 -24.0 66.4 -3.1 66.2 90 96 A E S S- 0 0 146 1,-0.1 -1,-0.1 119,-0.0 2,-0.0 0.780 129.6 -41.1 -98.4 -83.5 65.8 0.5 67.2 91 97 A G S S- 0 0 26 118,-0.1 -3,-3.7 -4,-0.0 2,-0.6 0.068 84.6 -43.3-120.8-130.3 63.7 0.8 70.4 92 98 A Q E -H 87 0B 46 -5,-0.2 -5,-0.2 -3,-0.1 117,-0.2 -0.937 50.3-161.3-118.2 108.4 60.6 -0.9 71.9 93 99 A W E -H 86 0B 78 -7,-1.4 -7,-1.9 -2,-0.6 2,-0.3 -0.458 2.8-156.0 -81.1 159.4 57.7 -1.6 69.6 94 100 A S E -H 85 0B 12 -9,-0.2 2,-0.4 112,-0.1 -9,-0.2 -0.998 7.8-171.9-137.0 146.1 54.1 -2.3 70.8 95 101 A V E -H 84 0B 75 -11,-2.4 -11,-3.0 -2,-0.3 2,-0.4 -0.991 24.0-127.2-141.8 124.0 51.3 -4.2 69.1 96 102 A K E +H 83 0B 81 -2,-0.4 -13,-0.2 -13,-0.2 3,-0.1 -0.591 29.2 173.8 -70.4 129.6 47.6 -4.6 70.0 97 103 A T E + 0 0 55 -15,-3.0 2,-0.3 1,-0.4 -14,-0.2 0.829 62.0 5.2-105.9 -48.5 46.8 -8.3 70.0 98 104 A K E +H 82 0B 84 -16,-1.3 -16,-1.5 2,-0.0 -1,-0.4 -0.935 64.3 178.8-137.8 161.4 43.2 -8.5 71.3 99 105 A H E -H 81 0B 47 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.965 10.3-179.9-165.5 139.7 40.6 -5.9 72.2 100 106 A Q E -H 80 0B 53 -20,-2.1 -20,-2.5 -2,-0.3 2,-0.4 -0.978 16.2-147.1-144.8 138.8 37.0 -5.6 73.4 101 107 A M E -H 79 0B 99 -2,-0.3 2,-0.4 -22,-0.2 -22,-0.2 -0.848 13.0-165.8-103.6 141.5 34.9 -2.5 74.1 102 108 A Y E -H 78 0B 27 -24,-3.0 -24,-3.2 -2,-0.4 2,-0.2 -0.988 13.9-138.2-129.7 133.4 32.3 -2.3 76.8 103 109 A S - 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0 0 14 -5,-1.5 -1,-0.3 -4,-0.3 -2,-0.1 -0.861 56.4-141.3-117.6 152.9 11.4 16.4 62.0 352 358 A R - 0 0 230 -2,-0.3 2,-0.2 -42,-0.1 -5,-0.1 -0.845 35.3-162.4-109.6 88.4 10.2 17.1 58.5 353 359 A P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 -44,-0.0 -0.436 8.9-145.8 -72.4 138.5 13.2 19.1 57.2 354 360 A S > - 0 0 42 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.504 35.5-102.7 -89.7 172.2 13.2 21.3 54.2 355 361 A T H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.872 127.1 50.7 -60.3 -33.3 16.2 21.6 51.9 356 362 A T H > S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 102.8 56.5 -76.6 -38.4 16.8 24.9 53.6 357 363 A D H > S+ 0 0 5 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.930 106.9 52.4 -54.1 -48.4 16.5 23.5 57.1 358 364 A C H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.904 107.9 49.5 -52.9 -49.6 19.3 21.1 56.2 359 365 A D H X S+ 0 0 16 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.838 113.1 48.0 -61.4 -35.1 21.6 23.9 55.0 360 366 A I H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.917 108.9 51.8 -73.5 -44.2 20.9 25.8 58.2 361 367 A V H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.912 108.8 53.1 -57.2 -38.5 21.6 22.8 60.4 362 368 A R H X S+ 0 0 22 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.909 108.6 48.6 -64.6 -43.1 24.9 22.3 58.6 363 369 A R H X S+ 0 0 69 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.903 109.6 52.1 -62.2 -41.5 25.9 26.0 59.3 364 370 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.958 111.7 47.5 -59.3 -48.9 25.0 25.6 63.0 365 371 A C H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.900 112.3 48.8 -55.9 -48.1 27.2 22.5 63.1 366 372 A E H X S+ 0 0 38 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.898 109.8 53.1 -57.2 -44.6 30.1 24.2 61.3 367 373 A S H X S+ 0 0 12 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.915 114.6 38.9 -61.4 -46.5 29.9 27.2 63.6 368 374 A V H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.924 119.2 47.1 -71.0 -47.8 30.1 25.2 66.8 369 375 A S H X S+ 0 0 6 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.889 112.0 50.9 -58.4 -44.6 32.7 22.8 65.5 370 376 A T H X S+ 0 0 31 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.875 109.3 49.3 -67.3 -36.6 34.8 25.6 64.0 371 377 A R H X S+ 0 0 7 -4,-1.7 4,-2.6 -5,-0.2 5,-0.2 0.826 109.0 54.6 -72.1 -30.8 34.8 27.5 67.3 372 378 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.935 109.7 46.7 -61.1 -48.6 35.9 24.3 69.1 373 379 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.904 114.5 47.1 -59.9 -44.2 38.8 23.9 66.7 374 380 A H H X S+ 0 0 16 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.955 113.8 45.9 -65.7 -51.0 39.8 27.5 67.1 375 381 A M H >X S+ 0 0 2 -4,-2.6 4,-1.1 1,-0.2 3,-0.5 0.918 112.9 51.2 -55.3 -47.1 39.6 27.5 70.9 376 382 A C H 3X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.856 104.8 58.4 -59.4 -33.0 41.5 24.2 71.0 377 383 A S H 3X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.817 99.7 56.1 -72.8 -29.2 44.2 25.7 68.8 378 384 A A H S+ 0 0 77 -4,-2.1 5,-1.9 2,-0.2 -2,-0.2 0.936 113.0 42.6 -61.4 -46.7 59.9 27.0 72.5 389 395 A E H ><5S+ 0 0 139 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.937 114.1 51.5 -61.8 -47.9 60.7 29.7 75.1 390 396 A S H 3<5S+ 0 0 28 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.795 113.7 43.0 -64.0 -30.6 61.6 27.1 77.8 391 397 A R T 3<5S- 0 0 32 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.337 105.4-132.3 -94.0 7.3 64.1 25.3 75.5 392 398 A S T < 5 + 0 0 109 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.892 50.4 154.7 37.4 57.6 65.4 28.7 74.2 393 399 A E < - 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0 0 8 -4,-1.5 4,-1.9 1,-0.2 -1,-0.1 -0.863 55.8-177.1-109.5 100.1 35.5 15.2 62.3 411 417 A P H > S+ 0 0 85 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.887 83.1 50.8 -65.6 -41.8 37.4 16.1 59.1 412 418 A S H > S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.880 108.7 54.2 -62.3 -37.6 36.5 19.8 59.2 413 419 A F H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.962 105.6 51.2 -60.6 -53.4 37.7 20.0 62.8 414 420 A K H X S+ 0 0 59 -4,-1.9 4,-2.5 -7,-0.3 -1,-0.2 0.891 113.3 44.9 -52.6 -47.6 41.1 18.6 62.0 415 421 A E H X S+ 0 0 128 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.921 115.0 45.4 -66.2 -49.3 41.7 21.0 59.1 416 422 A R H X S+ 0 0 98 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.883 114.3 52.5 -61.1 -36.0 40.5 24.1 60.9 417 423 A F H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 0.955 108.7 46.8 -67.3 -51.2 42.5 23.0 64.0 418 424 A H H X S+ 0 0 35 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.911 112.9 49.2 -55.9 -48.3 45.8 22.6 62.2 419 425 A A H X S+ 0 0 43 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.893 113.6 46.2 -63.0 -40.4 45.6 25.8 60.3 420 426 A S H X S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.939 110.5 50.8 -72.4 -45.1 44.8 27.8 63.4 421 427 A V H >X S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 4,-0.5 0.955 111.3 51.0 -51.8 -50.1 47.5 26.2 65.6 422 428 A R H >< S+ 0 0 121 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.847 105.9 52.3 -61.2 -38.6 50.1 27.0 62.9 423 429 A R H 3< S+ 0 0 110 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.770 112.4 48.8 -65.7 -25.8 49.1 30.7 62.5 424 430 A L H << S+ 0 0 4 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.507 104.7 62.1 -92.9 -5.4 49.6 31.0 66.3 425 431 A T X< - 0 0 4 -3,-0.9 3,-1.1 -4,-0.5 -1,-0.2 -0.533 67.0-176.2-123.5 66.2 53.0 29.3 66.4 426 432 A P T 3 S+ 0 0 88 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.327 73.3 17.6 -59.2 140.5 55.6 31.3 64.4 427 433 A S T 3 S+ 0 0 63 1,-0.2 -31,-1.9 -32,-0.1 2,-0.4 0.783 99.6 109.8 65.8 29.5 59.0 29.6 64.3 428 434 A C E < -e 396 0A 17 -3,-1.1 2,-0.8 -33,-0.2 -31,-0.2 -0.998 57.8-150.1-128.0 132.2 57.7 26.1 65.3 429 435 A E E -e 397 0A 101 -33,-2.7 -31,-2.2 -2,-0.4 2,-0.5 -0.879 23.3-164.5-100.6 105.4 57.6 23.2 62.8 430 436 A I E -e 398 0A 10 -2,-0.8 2,-0.5 -33,-0.2 -31,-0.2 -0.791 12.4-169.7-103.1 123.5 54.7 21.1 64.0 431 437 A T E -e 399 0A 69 -33,-2.5 -31,-3.0 -2,-0.5 2,-0.5 -0.921 9.8-156.3-105.2 132.8 54.1 17.6 62.9 432 438 A F E -e 400 0A 30 -2,-0.5 2,-0.4 -33,-0.2 -31,-0.2 -0.923 12.0-179.3-107.0 131.7 50.8 15.9 63.8 433 439 A I E -e 401 0A 44 -33,-2.1 -31,-2.7 -2,-0.5 2,-0.7 -0.996 24.2-134.9-129.3 137.7 50.3 12.1 64.0 434 440 A E E -e 402 0A 89 -2,-0.4 -31,-0.2 -33,-0.2 -33,-0.1 -0.775 26.8-137.7 -85.4 117.0 47.2 10.1 64.8 435 441 A S - 0 0 3 -33,-1.6 2,-0.5 -2,-0.7 3,-0.1 -0.328 8.3-136.3 -66.9 155.0 48.1 7.4 67.3 436 442 A E S S- 0 0 144 1,-0.2 5,-0.1 -233,-0.1 -33,-0.0 -0.978 86.7 -15.9-115.8 119.1 46.6 3.9 66.7 437 443 A E S > S+ 0 0 43 -2,-0.5 4,-2.8 1,-0.1 5,-0.4 0.903 88.2 166.5 53.8 39.5 45.3 2.3 69.9 438 444 A G H > + 0 0 0 1,-0.2 4,-2.3 2,-0.2 -232,-0.3 0.851 66.7 48.6 -55.8 -40.2 47.4 5.0 71.6 439 445 A S H > S+ 0 0 6 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.979 115.2 41.9 -67.5 -57.0 45.9 4.5 75.0 440 446 A G H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.941 121.6 40.1 -53.8 -52.5 46.2 0.7 75.1 441 447 A R H X S+ 0 0 25 -4,-2.8 4,-2.2 1,-0.2 3,-0.3 0.933 112.8 54.4 -69.0 -43.8 49.7 0.6 73.6 442 448 A G H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.4 -1,-0.2 0.882 108.5 50.5 -56.1 -39.8 51.0 3.6 75.5 443 449 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.843 108.5 50.5 -69.4 -35.0 49.9 2.0 78.8 444 450 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.881 107.7 54.3 -70.6 -39.9 51.6 -1.3 78.1 445 451 A L H X S+ 0 0 19 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.884 110.7 45.3 -60.4 -41.0 54.8 0.5 77.2 446 452 A V H X S+ 0 0 17 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.903 111.9 52.4 -69.6 -38.2 54.7 2.2 80.6 447 453 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.841 105.6 56.3 -62.6 -32.5 53.9 -1.1 82.3 448 454 A A H X S+ 0 0 0 -4,-2.0 -384,-2.0 1,-0.2 4,-0.8 0.917 108.2 45.1 -67.9 -44.5 56.9 -2.6 80.6 449 455 A V H < S+ 0 0 40 -4,-1.6 -1,-0.2 -386,-0.2 -2,-0.2 0.805 114.4 51.4 -67.3 -28.1 59.3 -0.1 82.0 450 456 A A H < S+ 0 0 22 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.841 102.9 57.1 -79.2 -35.4 57.6 -0.5 85.4 451 457 A C H < S+ 0 0 39 -4,-2.2 2,-2.5 1,-0.1 -1,-0.2 0.744 79.0 98.2 -65.0 -26.6 57.8 -4.3 85.5 452 458 A K < 0 0 107 -4,-0.8 -1,-0.1 -390,-0.3 -390,-0.1 -0.419 360.0 360.0 -70.6 78.6 61.6 -4.2 85.1 453 459 A K 0 0 192 -2,-2.5 -1,-0.2 0, 0.0 -2,-0.1 0.458 360.0 360.0-138.7 360.0 62.4 -4.6 88.8