==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 22-NOV-01 1KFQ . COMPND 2 MOLECULE: PHOSPHOGLUCOMUTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PARAMECIUM TETRAURELIA; . AUTHOR S.MUELLER,K.DIEDERICHS,J.BREED,R.KISSMEHL,K.HAUSER, . 1142 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 803 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 2 0.2 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 . 85 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.8 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 4 2 2 2 5 3 5 3 4 0 4 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 0 6 2 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 PARALLEL BRIDGES PER LADDER . 4 4 6 8 2 2 2 0 0 0 2 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 2 2 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 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 2 A Q 0 0 196 0, 0.0 2,-0.0 0, 0.0 187,-0.0 0.000 360.0 360.0 360.0 -82.9 47.8 -3.3 163.5 2 3 A Q - 0 0 117 1,-0.1 186,-0.4 185,-0.0 2,-0.4 -0.282 360.0-125.2 -57.0 128.6 46.4 -2.9 167.0 3 4 A V - 0 0 70 184,-0.1 186,-0.2 1,-0.1 -1,-0.1 -0.632 27.6-114.7 -78.6 128.7 47.3 0.4 168.7 4 5 A I - 0 0 0 184,-2.8 167,-0.1 -2,-0.4 -1,-0.1 -0.454 32.9-120.8 -64.9 127.0 48.9 -0.2 172.1 5 6 A P - 0 0 52 0, 0.0 185,-0.5 0, 0.0 3,-0.1 -0.077 41.2 -80.5 -59.8 169.9 46.6 1.1 174.9 6 7 A A - 0 0 48 183,-0.1 164,-0.2 1,-0.1 185,-0.2 -0.460 60.1 -84.5 -74.7 147.1 48.0 3.8 177.2 7 8 A P - 0 0 45 0, 0.0 2,-0.4 0, 0.0 162,-0.2 -0.052 50.5-151.0 -45.9 155.8 50.3 2.7 180.1 8 9 A R E -A 168 0A 85 160,-3.7 160,-2.3 -3,-0.1 2,-0.1 -0.998 10.3-120.5-141.5 135.0 48.4 1.6 183.2 9 10 A V E -A 167 0A 78 -2,-0.4 2,-0.4 158,-0.2 158,-0.2 -0.435 23.0-167.6 -73.6 145.5 49.1 1.5 186.9 10 11 A Q E -A 166 0A 66 156,-1.8 156,-1.8 -2,-0.1 2,-0.1 -0.986 17.7-133.7-135.2 119.1 49.1 -1.8 188.8 11 12 A V E +A 165 0A 108 -2,-0.4 2,-0.3 154,-0.2 154,-0.3 -0.442 31.6 177.6 -72.6 148.6 49.2 -1.8 192.6 12 13 A T - 0 0 11 152,-2.4 24,-0.1 -2,-0.1 -2,-0.0 -0.982 28.6-131.9-150.3 158.9 51.6 -4.2 194.2 13 14 A Q - 0 0 161 -2,-0.3 151,-0.1 1,-0.1 27,-0.1 -0.962 39.5-108.3-114.9 129.2 52.9 -5.3 197.6 14 15 A P - 0 0 44 0, 0.0 2,-0.3 0, 0.0 147,-0.2 0.192 23.1-140.4 -48.2 170.8 56.7 -5.5 198.0 15 16 A Y - 0 0 49 145,-0.8 3,-0.5 22,-0.1 2,-0.1 -0.990 13.9-132.1-136.7 138.9 58.8 -8.7 198.4 16 17 A A S S+ 0 0 80 -2,-0.3 3,-0.1 1,-0.2 145,-0.0 -0.442 82.3 38.3 -88.5 167.2 61.7 -9.2 200.7 17 18 A G + 0 0 32 1,-0.2 2,-3.0 -2,-0.1 -1,-0.2 0.237 67.9 129.9 81.6 -16.3 65.1 -10.7 199.7 18 19 A Q + 0 0 0 -3,-0.5 142,-0.2 139,-0.1 -1,-0.2 -0.383 32.1 142.4 -72.1 69.9 65.3 -9.0 196.3 19 20 A K - 0 0 122 -2,-3.0 7,-0.2 5,-0.1 2,-0.1 -0.940 45.1-140.9-117.8 111.9 68.8 -7.7 197.0 20 21 A P - 0 0 8 0, 0.0 5,-0.2 0, 0.0 137,-0.1 -0.441 19.4-169.6 -68.9 141.2 71.3 -7.7 194.1 21 22 A G - 0 0 41 3,-1.0 4,-0.1 -2,-0.1 132,-0.1 0.266 52.9 -60.0-101.0-129.9 74.8 -8.7 195.1 22 23 A T S S+ 0 0 100 2,-0.2 3,-0.1 1,-0.1 131,-0.0 0.874 140.7 35.4 -86.0 -41.8 77.8 -8.4 192.9 23 24 A S S S- 0 0 64 1,-0.3 2,-0.2 116,-0.1 -1,-0.1 0.375 119.0-111.7 -92.7 3.2 76.4 -10.7 190.2 24 25 A G - 0 0 14 115,-0.1 -3,-1.0 113,-0.1 2,-0.3 -0.533 57.5 -20.7 102.4-170.0 72.8 -9.5 190.6 25 26 A L E +B 138 0B 7 113,-1.9 113,-1.8 -5,-0.2 2,-0.4 -0.630 56.3 178.6 -81.7 133.5 69.6 -11.1 191.9 26 27 A R E +B 137 0B 80 -2,-0.3 2,-0.3 -7,-0.2 111,-0.2 -0.921 10.8 156.8-140.9 109.5 69.6 -14.9 191.9 27 28 A K E -B 136 0B 50 109,-1.9 109,-3.2 -2,-0.4 2,-0.1 -0.880 47.7 -87.1-131.0 163.1 66.6 -16.8 193.2 28 29 A K E >> -B 135 0B 81 -2,-0.3 4,-2.1 107,-0.3 3,-0.8 -0.460 42.6-115.5 -69.0 139.2 65.0 -20.2 192.7 29 30 A V H 3> S+ 0 0 2 105,-3.2 4,-1.3 101,-0.3 -1,-0.1 0.831 114.4 58.4 -43.4 -40.2 62.6 -20.4 189.8 30 31 A S H 34 S+ 0 0 70 104,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.924 109.8 40.6 -59.0 -48.4 59.7 -21.0 192.2 31 32 A E H X4 S+ 0 0 71 -3,-0.8 3,-0.8 1,-0.2 -1,-0.2 0.844 113.9 54.3 -70.5 -33.9 60.2 -17.8 194.2 32 33 A A H 3< S+ 0 0 2 -4,-2.1 6,-0.4 1,-0.2 -1,-0.2 0.679 103.2 54.8 -76.7 -18.3 61.0 -15.7 191.1 33 34 A T T 3< S+ 0 0 52 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.437 79.1 123.7 -94.4 1.8 57.8 -16.6 189.3 34 35 A Q S X> S- 0 0 78 -3,-0.8 3,-1.4 -4,-0.2 4,-0.5 -0.195 82.1 -75.9 -56.1 150.9 55.5 -15.5 192.2 35 36 A P T 34 S- 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.281 113.8 -4.0 -56.0 129.1 53.0 -12.9 191.2 36 37 A N T 3> S+ 0 0 47 -3,-0.1 4,-3.3 1,-0.1 5,-0.3 0.208 97.3 115.0 76.6 -15.9 54.6 -9.5 190.8 37 38 A Y H <> S+ 0 0 5 -3,-1.4 4,-2.0 2,-0.2 5,-0.1 0.936 84.0 37.4 -51.1 -54.6 58.1 -10.6 191.9 38 39 A L H X S+ 0 0 8 -4,-0.5 4,-2.8 -6,-0.4 5,-0.3 0.980 117.7 49.8 -61.4 -58.0 59.6 -10.0 188.5 39 40 A E H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.852 110.9 51.1 -48.3 -44.8 57.6 -6.8 187.7 40 41 A N H X S+ 0 0 0 -4,-3.3 4,-1.6 2,-0.2 -1,-0.2 0.915 112.6 44.8 -61.9 -46.0 58.5 -5.4 191.1 41 42 A F H X S+ 0 0 4 -4,-2.0 4,-1.2 -5,-0.3 -2,-0.2 0.965 114.2 48.2 -64.4 -51.8 62.2 -5.9 190.6 42 43 A V H >X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 3,-0.6 0.887 110.5 50.5 -55.7 -45.3 62.3 -4.6 187.1 43 44 A Q H 3X S+ 0 0 7 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.883 107.2 56.7 -62.0 -36.0 60.3 -1.5 187.9 44 45 A S H 3X S+ 0 0 1 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.787 104.4 51.4 -65.1 -29.4 62.8 -0.9 190.8 45 46 A I H XX S+ 0 0 0 -4,-1.2 4,-1.2 -3,-0.6 3,-0.9 0.940 110.6 47.7 -71.6 -48.1 65.7 -1.0 188.3 46 47 A F H 3< S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.830 111.7 52.5 -59.9 -33.4 64.0 1.6 186.2 47 48 A N H 3< S+ 0 0 57 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.658 99.9 60.1 -78.2 -19.5 63.3 3.7 189.3 48 49 A T H << S+ 0 0 21 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.813 95.5 77.9 -76.4 -29.6 67.0 3.6 190.4 49 50 A L S < S- 0 0 0 -4,-1.2 2,-0.3 1,-0.1 3,-0.0 -0.205 104.2 -92.0 -66.8 169.5 67.7 5.4 187.2 50 51 A R > - 0 0 29 1,-0.1 3,-2.4 2,-0.0 4,-0.3 -0.697 30.2-124.7 -87.6 139.2 66.9 9.1 187.1 51 52 A K G >> S+ 0 0 125 -2,-0.3 3,-2.4 1,-0.3 4,-0.5 0.905 111.5 59.0 -48.9 -47.1 63.5 9.9 185.8 52 53 A D G 34 S+ 0 0 9 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.673 92.4 72.7 -60.0 -13.0 64.8 12.2 183.2 53 54 A E G <4 S+ 0 0 0 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.661 93.2 52.3 -76.3 -16.3 66.7 9.2 181.9 54 55 A L T <4 S+ 0 0 14 -3,-2.4 4,-0.2 -4,-0.3 -1,-0.2 0.639 95.8 69.5 -94.3 -15.3 63.6 7.6 180.5 55 56 A K S < S+ 0 0 59 -4,-0.5 -2,-0.1 -3,-0.4 -1,-0.1 0.837 78.2 84.0 -75.1 -36.0 62.3 10.5 178.4 56 57 A P S S- 0 0 5 0, 0.0 2,-1.1 0, 0.0 31,-0.4 -0.225 103.1 -81.6 -68.3 161.9 64.9 10.7 175.6 57 58 A K S S+ 0 0 69 625,-3.9 2,-0.2 29,-0.1 -2,-0.1 -0.499 78.3 172.6 -60.1 98.7 64.7 8.6 172.4 58 59 A N - 0 0 1 -2,-1.1 30,-1.9 -4,-0.2 2,-0.4 -0.743 37.8-143.5-121.9 165.9 66.2 5.6 174.2 59 60 A V E -cd 88 116C 3 56,-1.6 58,-1.6 -2,-0.2 59,-0.6 -0.992 8.8-165.5-129.0 125.1 67.1 1.9 173.9 60 61 A L E -cd 89 118C 0 28,-2.8 30,-2.4 -2,-0.4 2,-0.3 -0.936 16.9-146.9-108.0 129.9 67.0 -0.6 176.7 61 62 A F E -cd 90 119C 0 57,-2.3 59,-3.0 -2,-0.5 2,-0.4 -0.740 9.2-163.6-100.1 149.3 68.8 -3.9 176.0 62 63 A V E +cd 91 120C 1 28,-2.6 30,-0.9 -2,-0.3 2,-0.3 -0.959 14.5 172.8-133.4 112.5 67.7 -7.3 177.3 63 64 A G E + d 0 121C 1 57,-2.7 59,-4.8 -2,-0.4 2,-0.3 -0.755 2.4 167.0-115.3 165.1 70.1 -10.2 177.2 64 65 A G E -Ed 97 122C 1 33,-0.7 33,-2.2 57,-0.3 59,-0.2 -0.991 42.4-121.8-171.3 162.9 69.9 -13.7 178.6 65 66 A D - 0 0 1 57,-2.4 175,-0.3 -2,-0.3 31,-0.1 0.261 57.6-107.9 -98.8 13.5 71.3 -17.2 178.8 66 67 A G + 0 0 16 29,-0.4 203,-0.2 56,-0.3 3,-0.1 0.575 65.5 149.2 76.7 10.7 68.2 -19.1 177.6 67 68 A R > - 0 0 1 55,-0.3 3,-1.6 1,-0.2 4,-0.4 -0.279 59.5 -66.5 -73.4 165.4 67.3 -20.7 181.0 68 69 A Y T 3 S+ 0 0 41 199,-2.2 62,-0.2 1,-0.2 -1,-0.2 -0.237 118.7 18.6 -56.8 134.2 63.7 -21.4 181.9 69 70 A F T 3> S+ 0 0 23 -3,-0.1 4,-2.6 67,-0.1 3,-0.3 -0.005 87.8 106.8 94.9 -22.9 61.4 -18.3 182.3 70 71 A N H <> S+ 0 0 5 -3,-1.6 4,-2.7 1,-0.2 5,-0.2 0.876 76.8 60.0 -52.4 -37.9 63.6 -15.8 180.5 71 72 A R H > S+ 0 0 90 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.945 109.6 39.0 -56.7 -52.6 61.1 -16.0 177.6 72 73 A Q H > S+ 0 0 89 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.907 113.5 55.9 -65.0 -42.4 58.2 -14.7 179.8 73 74 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.915 104.7 54.0 -56.5 -44.5 60.4 -12.2 181.7 74 75 A I H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.940 110.6 44.4 -56.3 -51.5 61.4 -10.7 178.3 75 76 A F H X S+ 0 0 20 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.836 113.8 51.9 -63.8 -30.3 57.7 -10.1 177.3 76 77 A S H X S+ 0 0 9 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.899 109.5 49.1 -70.2 -39.7 57.1 -8.8 180.8 77 78 A I H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.810 108.0 55.0 -68.1 -31.8 60.0 -6.4 180.4 78 79 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.948 108.1 48.0 -67.8 -45.8 58.7 -5.3 177.1 79 80 A R H X S+ 0 0 53 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.943 117.3 42.3 -59.2 -48.0 55.3 -4.4 178.6 80 81 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.933 110.7 53.6 -65.0 -47.8 57.0 -2.5 181.5 81 82 A A H <>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 -1,-0.2 0.874 112.4 48.0 -54.9 -36.6 59.6 -0.8 179.4 82 83 A Y H ><5S+ 0 0 0 -4,-2.1 3,-1.4 -5,-0.2 -1,-0.2 0.918 110.9 49.2 -67.7 -46.4 56.7 0.4 177.2 83 84 A A H 3<5S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.797 107.4 57.7 -63.7 -30.2 54.7 1.6 180.3 84 85 A N T 3<5S- 0 0 12 -4,-2.7 -1,-0.3 83,-0.2 -2,-0.2 0.104 121.1-102.9 -91.0 21.6 57.8 3.4 181.5 85 86 A D T < 5 + 0 0 17 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.748 66.2 153.8 69.5 28.1 58.1 5.6 178.4 86 87 A I < - 0 0 0 -5,-2.4 -1,-0.2 -6,-0.2 3,-0.1 -0.727 34.0-153.3 -92.3 138.0 61.0 3.7 176.7 87 88 A S S S+ 0 0 15 -31,-0.4 111,-2.0 -2,-0.4 2,-0.4 0.890 70.8 16.6 -76.8 -45.7 61.3 4.0 172.9 88 89 A E E -cf 59 198C 40 -30,-1.9 -28,-2.8 109,-0.2 2,-0.5 -0.996 53.0-163.2-137.0 140.3 63.1 0.8 171.9 89 90 A V E -cf 60 199C 0 109,-1.5 111,-1.8 -2,-0.4 2,-0.5 -0.990 13.6-163.9-120.3 122.0 63.8 -2.6 173.5 90 91 A H E +cf 61 200C 11 -30,-2.4 -28,-2.6 -2,-0.5 2,-0.3 -0.920 15.7 167.6-107.3 132.5 66.6 -4.6 171.9 91 92 A V E -cf 62 201C 0 109,-2.0 111,-2.7 -2,-0.5 -28,-0.2 -0.958 35.0 -96.5-141.7 156.9 66.8 -8.3 172.7 92 93 A G E > - f 0 202C 0 -30,-0.9 3,-2.5 -2,-0.3 5,-0.2 -0.298 50.3 -84.3 -74.5 158.7 68.7 -11.3 171.3 93 94 A Q G > S+ 0 0 57 109,-1.7 3,-2.0 3,-0.4 87,-0.2 -0.418 120.3 4.6 -60.8 130.0 67.2 -13.8 168.8 94 95 A A G 3 S- 0 0 15 85,-2.9 -1,-0.3 1,-0.3 86,-0.2 0.698 134.1 -68.2 64.3 18.1 65.3 -16.5 170.8 95 96 A G G < S+ 0 0 4 -3,-2.5 2,-0.5 84,-0.4 -29,-0.4 0.610 99.5 147.6 76.0 15.5 66.1 -14.3 173.8 96 97 A L < + 0 0 17 -3,-2.0 -3,-0.4 -33,-0.1 -1,-0.2 -0.741 5.2 129.7 -97.5 124.5 69.8 -15.2 173.4 97 98 A M B -E 64 0C 4 -33,-2.2 -33,-0.7 -2,-0.5 -31,-0.1 -0.736 46.4-132.0-165.8 110.1 72.8 -12.9 174.2 98 99 A S > - 0 0 2 106,-0.3 4,-2.5 -2,-0.2 5,-0.2 -0.231 29.7-108.5 -62.1 156.6 75.7 -14.0 176.4 99 100 A T H > S+ 0 0 1 210,-1.1 4,-2.3 1,-0.2 5,-0.2 0.933 120.6 48.0 -54.3 -47.9 76.8 -11.7 179.1 100 101 A P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.905 114.7 45.2 -60.1 -41.2 80.0 -10.8 177.2 101 102 A A H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.788 111.4 53.8 -72.6 -27.8 78.1 -10.2 174.0 102 103 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.876 106.9 51.6 -71.9 -40.0 75.5 -8.2 175.8 103 104 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.964 112.5 44.8 -61.8 -52.1 78.1 -5.9 177.3 104 105 A H H X S+ 0 0 22 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.819 109.6 56.8 -61.9 -31.4 79.7 -5.2 173.9 105 106 A Y H X S+ 0 0 11 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.946 108.8 45.6 -65.4 -46.6 76.2 -4.7 172.4 106 107 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.920 115.5 47.7 -60.9 -43.4 75.5 -1.9 174.9 107 108 A R H X S+ 0 0 29 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.913 108.9 53.4 -64.0 -44.7 78.9 -0.5 174.2 108 109 A K H X S+ 0 0 43 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.855 111.5 45.8 -60.1 -37.2 78.6 -0.6 170.5 109 110 A V H X>S+ 0 0 12 -4,-1.9 4,-2.5 1,-0.2 5,-2.3 0.923 112.3 49.0 -73.4 -44.0 75.3 1.3 170.6 110 111 A N H <5S+ 0 0 4 -4,-2.2 519,-3.7 3,-0.2 -1,-0.2 0.613 111.6 51.7 -72.4 -9.0 76.6 3.9 173.0 111 112 A E H <5S+ 0 0 114 -4,-1.0 -1,-0.2 517,-0.2 -2,-0.2 0.846 120.2 33.0 -89.6 -41.5 79.6 4.4 170.8 112 113 A E H <5S+ 0 0 111 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.969 143.8 0.5 -79.0 -61.7 77.5 4.9 167.6 113 114 A V T <5S- 0 0 54 -4,-2.5 -3,-0.2 -5,-0.2 574,-0.1 0.840 80.3-145.6 -98.8 -44.8 74.3 6.6 168.7 114 115 A G < + 0 0 2 -5,-2.3 -4,-0.2 -7,-0.1 -5,-0.1 0.689 65.4 107.1 86.5 23.4 74.8 7.0 172.5 115 116 A N + 0 0 7 -6,-0.3 -56,-1.6 570,-0.1 2,-0.6 0.222 37.4 116.6-119.2 15.1 71.2 6.6 173.6 116 117 A C E -d 59 0C 0 -58,-0.2 -56,-0.2 -10,-0.2 3,-0.1 -0.771 48.1-158.8 -88.9 125.1 71.2 3.1 175.3 117 118 A I E - 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0 0 0 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.3 -0.321 34.2 -77.0 98.0 174.1 109.2 -21.5 187.3 443 444 A R E -Q 533 0F 43 90,-2.5 90,-1.7 -2,-0.1 2,-0.8 -0.937 25.1-151.9-119.8 136.5 106.1 -23.3 188.5 444 445 A N E -Q 532 0F 5 -2,-0.4 2,-0.2 88,-0.2 88,-0.2 -0.822 15.0-155.0-105.7 95.9 103.6 -22.2 191.1 445 446 A Y E -Q 531 0F 1 86,-2.2 86,-2.1 -2,-0.8 2,-0.4 -0.523 22.9-177.4 -69.2 132.3 102.1 -25.3 192.7 446 447 A Y E +Q 530 0F 45 -2,-0.2 2,-0.3 84,-0.2 84,-0.2 -0.994 16.8 158.4-143.4 138.7 98.7 -24.3 194.0 447 448 A S E -Q 529 0F 6 82,-1.9 82,-3.3 -2,-0.4 2,-0.4 -0.991 23.4-139.6-153.4 155.1 95.8 -25.9 196.0 448 449 A R E -Q 528 0F 43 123,-2.6 123,-2.1 -2,-0.3 2,-0.5 -0.970 4.5-155.2-127.3 127.6 92.8 -24.8 198.1 449 450 A Y E -QR 527 570F 30 78,-3.5 78,-2.9 -2,-0.4 2,-0.5 -0.850 12.7-157.1 -98.1 127.4 91.5 -26.3 201.3 450 451 A D E -QR 526 569F 2 119,-3.1 118,-3.3 -2,-0.5 119,-1.4 -0.914 9.1-170.8-107.3 123.1 87.8 -25.7 202.0 451 452 A Y E -Q 525 0F 5 74,-3.0 74,-3.0 -2,-0.5 3,-0.3 -0.900 23.0-165.9-111.7 99.0 86.5 -25.9 205.5 452 453 A E E + 0 0 67 -2,-0.7 72,-0.2 72,-0.2 71,-0.1 -0.560 53.0 5.9 -93.8 153.4 82.7 -25.7 205.2 453 454 A Q E S+ 0 0 127 -2,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.904 80.6 165.4 46.7 55.6 79.9 -25.0 207.6 454 455 A V E -Q 523 0F 3 69,-2.8 69,-1.4 -3,-0.3 2,-0.4 -0.658 51.4 -87.1 -97.9 155.4 82.1 -24.3 210.6 455 456 A D E > -Q 522 0F 98 107,-0.3 4,-2.2 -2,-0.2 3,-0.3 -0.486 36.7-141.7 -61.1 115.1 81.0 -22.7 213.8 456 457 A S H > S+ 0 0 38 65,-1.7 4,-2.1 -2,-0.4 5,-0.2 0.829 98.2 60.0 -49.7 -36.1 81.3 -19.0 213.0 457 458 A A H > S+ 0 0 53 64,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.968 108.1 41.6 -57.6 -56.7 82.6 -18.3 216.5 458 459 A G H >> S+ 0 0 11 -3,-0.3 4,-2.1 1,-0.2 3,-0.8 0.895 110.7 58.5 -58.5 -42.6 85.6 -20.7 216.2 459 460 A A H 3X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.901 104.9 48.7 -54.6 -48.1 86.3 -19.4 212.7 460 461 A N H 3X S+ 0 0 70 -4,-2.1 4,-1.4 1,-0.2 -1,-0.3 0.706 108.3 56.8 -68.0 -18.8 86.8 -15.8 213.8 461 462 A K H < S+ 0 0 45 -4,-3.0 3,-2.0 1,-0.2 4,-0.3 0.899 100.7 60.0 -65.2 -39.6 94.9 -16.1 216.3 466 467 A L H >< S+ 0 0 0 -4,-3.0 3,-2.6 1,-0.3 -1,-0.2 0.911 95.6 62.5 -52.5 -45.2 96.7 -15.9 212.9 467 468 A K T 3< S+ 0 0 86 -4,-1.4 3,-0.4 1,-0.3 -1,-0.3 0.640 98.6 57.1 -56.1 -16.9 97.4 -12.2 213.6 468 469 A T T < S+ 0 0 92 -3,-2.0 -1,-0.3 -4,-0.3 4,-0.3 0.455 98.8 59.7 -94.2 -4.6 99.5 -13.3 216.6 469 470 A K S <> S+ 0 0 74 -3,-2.6 4,-1.8 -4,-0.3 -1,-0.2 0.227 74.9 98.0-107.6 13.9 101.7 -15.5 214.5 470 471 A F H > S+ 0 0 36 -3,-0.4 4,-2.1 2,-0.2 5,-0.2 0.952 84.5 44.3 -66.1 -52.3 103.1 -12.8 212.3 471 472 A Q H > S+ 0 0 147 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.948 112.8 52.2 -57.4 -51.8 106.4 -12.1 214.1 472 473 A Y H > S+ 0 0 116 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.904 110.1 49.7 -51.0 -45.6 107.1 -15.8 214.5 473 474 A F H X S+ 0 0 0 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.864 112.1 46.6 -64.5 -38.0 106.5 -16.2 210.7 474 475 A E H < S+ 0 0 83 -4,-2.1 6,-0.4 1,-0.2 -1,-0.2 0.784 109.0 56.2 -75.4 -25.5 108.9 -13.4 209.8 475 476 A Q H < S+ 0 0 137 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.727 93.2 71.1 -77.4 -25.7 111.6 -14.6 212.2 476 477 A L H < S- 0 0 84 -4,-1.2 2,-0.3 -5,-0.2 -2,-0.1 0.982 114.0 -3.5 -53.6 -67.3 111.8 -18.1 210.7 477 478 A K S >< S- 0 0 144 -4,-0.7 3,-1.3 0, 0.0 -1,-0.2 -0.922 82.7 -95.0-130.9 154.5 113.5 -17.1 207.4 478 479 A Q T 3 S+ 0 0 171 -2,-0.3 28,-0.4 1,-0.2 3,-0.1 -0.420 107.4 29.6 -67.7 141.5 114.6 -13.8 205.8 479 480 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.2 -5,-0.1 2,-0.2 0.357 81.7 136.3 92.8 -7.1 112.0 -12.4 203.3 480 481 A N < - 0 0 13 -3,-1.3 2,-0.4 -6,-0.4 -1,-0.3 -0.532 32.0-171.9 -74.0 142.3 108.9 -13.8 205.1 481 482 A K E -S 504 0F 72 23,-2.4 23,-2.5 -2,-0.2 2,-0.4 -0.961 8.5-173.2-143.3 120.3 106.1 -11.3 205.3 482 483 A A E +S 503 0F 7 -2,-0.4 2,-0.3 21,-0.2 21,-0.2 -0.944 24.2 131.9-115.2 133.7 102.9 -11.7 207.2 483 484 A D E -S 502 0F 43 19,-1.9 19,-2.9 -2,-0.4 2,-0.7 -0.986 56.9 -91.7-166.3 173.5 100.0 -9.2 207.1 484 485 A I E -S 501 0F 37 -2,-0.3 2,-0.3 17,-0.2 14,-0.2 -0.890 50.8-119.2 -99.8 111.5 96.3 -8.4 206.7 485 486 A Y + 0 0 7 15,-2.0 14,-2.6 -2,-0.7 2,-0.4 -0.329 38.5 174.6 -57.5 111.3 95.6 -7.8 203.0 486 487 A D - 0 0 72 -2,-0.3 2,-0.5 12,-0.2 11,-0.2 -0.962 17.4-148.2-118.5 134.3 94.3 -4.2 202.5 487 488 A Y E -V 496 0G 14 9,-3.5 9,-2.5 -2,-0.4 2,-0.7 -0.911 8.4-166.0-110.9 125.4 93.8 -2.9 198.9 488 489 A V E -V 495 0G 82 -2,-0.5 7,-0.2 7,-0.2 6,-0.1 -0.912 29.6-126.0-109.2 104.8 94.2 0.8 198.0 489 490 A D > - 0 0 2 5,-2.1 4,-1.0 -2,-0.7 -119,-0.0 -0.243 11.1-147.6 -49.3 124.5 92.6 1.3 194.6 490 491 A P T 4 S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.635 92.2 44.5 -72.3 -13.8 95.3 2.9 192.3 491 492 A V T 4 S+ 0 0 58 3,-0.1 -2,-0.0 1,-0.0 -111,-0.0 0.918 129.3 13.0 -95.7 -62.2 92.5 4.8 190.5 492 493 A D T 4 S- 0 0 89 2,-0.1 3,-0.1 0, 0.0 -3,-0.1 0.330 91.9-124.5-100.9 6.7 90.0 6.3 192.9 493 494 A Q < + 0 0 126 -4,-1.0 -4,-0.0 1,-0.2 0, 0.0 0.446 56.8 155.2 66.0 -1.7 92.1 5.8 196.0 494 495 A S - 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