==== 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 TRANSFERASE 17-SEP-04 1XHB . COMPND 2 MOLECULE: POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR T.A.FRITZ,J.H.HURLEY,L.B.TRINH,J.SHILOACH,L.A.TABAK . 447 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 1 2 1 2 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 2 0 0 0 1 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 5 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 2 0 1 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 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 95 A N 0 0 117 0, 0.0 2,-0.2 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 134.4 21.3 52.1 81.2 2 96 A R - 0 0 104 38,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.714 360.0-103.2-137.0-177.5 22.0 48.4 81.7 3 97 A S - 0 0 96 -2,-0.2 118,-0.0 118,-0.0 41,-0.0 -0.626 27.9-170.7-114.9 174.9 25.4 46.9 82.1 4 98 A L - 0 0 40 -2,-0.2 2,-0.2 150,-0.0 117,-0.0 -0.890 30.3 -96.1-147.3 178.5 27.8 45.0 79.9 5 99 A P - 0 0 89 0, 0.0 2,-1.0 0, 0.0 117,-0.3 -0.473 49.8 -90.0 -93.9 172.4 31.1 43.1 80.4 6 100 A D + 0 0 66 1,-0.2 7,-0.0 -2,-0.2 117,-0.0 -0.757 45.5 177.7 -85.0 107.1 34.4 44.6 79.8 7 101 A V + 0 0 37 -2,-1.0 -1,-0.2 115,-0.1 3,-0.1 0.548 39.1 116.6 -87.7 -6.9 35.0 43.9 76.1 8 102 A R S S- 0 0 45 114,-0.2 237,-0.1 1,-0.1 2,-0.1 -0.245 77.8 -93.9 -65.2 150.5 38.4 45.7 75.9 9 103 A L >> - 0 0 44 235,-0.5 3,-2.0 1,-0.1 4,-0.8 -0.386 42.4-109.3 -60.8 132.5 41.6 43.9 75.1 10 104 A E G >4 S+ 0 0 137 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.802 114.9 54.4 -31.7 -57.5 43.4 42.9 78.4 11 105 A G G >> S+ 0 0 32 1,-0.3 3,-1.4 2,-0.2 4,-1.2 0.788 96.8 65.4 -53.9 -32.9 46.3 45.4 78.0 12 106 A a G <4 S+ 0 0 1 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.860 87.7 69.6 -59.5 -36.3 43.9 48.3 77.6 13 107 A K G << S+ 0 0 100 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.678 104.7 41.0 -57.6 -19.8 42.7 47.9 81.2 14 108 A T T <4 S+ 0 0 113 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.829 84.4 114.2 -97.8 -38.9 46.1 49.0 82.6 15 109 A K < - 0 0 72 -4,-1.2 2,-0.4 1,-0.1 -3,-0.0 0.094 52.1-149.8 -36.4 138.1 47.0 52.0 80.3 16 110 A V - 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.964 8.2-149.7-116.8 130.6 47.2 55.4 81.9 17 111 A Y - 0 0 73 -2,-0.4 4,-0.1 1,-0.1 109,-0.0 -0.790 27.1 -97.3-102.7 144.6 46.4 58.5 79.8 18 112 A P - 0 0 70 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.061 46.6 -99.4 -54.0 157.1 47.9 62.0 80.3 19 113 A D S S+ 0 0 137 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.392 95.9 35.3 -79.4 158.9 46.0 64.5 82.3 20 114 A N + 0 0 149 1,-0.1 -1,-0.2 -2,-0.1 3,-0.1 0.929 67.5 176.8 67.5 50.0 43.9 67.3 80.8 21 115 A L - 0 0 30 -3,-0.2 -1,-0.1 1,-0.1 109,-0.1 -0.423 43.1 -88.6 -73.2 161.4 42.6 65.6 77.7 22 116 A P - 0 0 29 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.217 40.8-108.0 -70.1 167.3 40.2 67.9 75.8 23 117 A T - 0 0 37 -3,-0.1 87,-1.8 31,-0.1 86,-0.9 -0.771 33.9-149.4 -95.5 139.8 36.5 68.1 76.5 24 118 A T E -ab 54 110A 0 29,-2.6 31,-3.5 -2,-0.4 2,-0.6 -0.840 12.8-150.4-115.8 150.2 34.0 66.6 74.0 25 119 A S E - b 0 111A 0 85,-1.5 87,-1.2 -2,-0.3 32,-0.2 -0.933 22.8-143.6-113.3 102.9 30.5 67.4 73.0 26 120 A V E -ab 57 112A 0 30,-1.2 32,-2.9 -2,-0.6 2,-0.5 -0.494 14.5-158.1 -69.8 134.3 28.8 64.2 71.8 27 121 A V E +ab 58 113A 0 85,-3.9 87,-1.9 -2,-0.2 2,-0.4 -0.971 12.9 178.5-119.6 121.7 26.4 65.0 68.9 28 122 A I E -ab 59 114A 0 30,-3.0 32,-4.1 -2,-0.5 2,-0.4 -0.983 10.3-162.9-125.8 129.4 23.6 62.6 68.1 29 123 A V E -ab 60 115A 16 85,-0.7 87,-0.6 -2,-0.4 2,-0.3 -0.854 16.6-178.8-108.9 146.0 21.0 62.9 65.3 30 124 A F E -a 61 0A 5 30,-2.9 32,-3.4 -2,-0.4 2,-0.3 -0.966 22.9-162.2-144.6 161.3 17.8 61.0 65.3 31 125 A H S S- 0 0 70 -2,-0.3 3,-0.1 30,-0.2 32,-0.1 -0.838 80.0 -34.3-147.7 104.3 14.6 60.3 63.4 32 126 A N S S+ 0 0 20 -2,-0.3 3,-0.1 1,-0.2 2,-0.1 0.721 83.7 172.7 57.3 23.2 11.6 58.6 65.1 33 127 A E - 0 0 40 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 -0.384 41.4 -98.5 -64.0 138.6 14.0 56.5 67.2 34 128 A A > - 0 0 47 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.219 31.2-119.7 -55.4 147.4 12.2 54.5 69.9 35 129 A W H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.941 109.4 47.6 -55.6 -55.9 12.3 56.2 73.3 36 130 A S H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 113.0 48.6 -54.6 -48.0 14.1 53.4 75.2 37 131 A T H > S+ 0 0 11 2,-0.2 4,-1.6 1,-0.2 81,-0.3 0.949 111.9 48.8 -58.8 -52.4 16.8 53.1 72.5 38 132 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.916 115.8 42.7 -55.9 -47.0 17.5 56.8 72.3 39 133 A L H X S+ 0 0 14 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.733 105.4 62.6 -74.4 -21.9 17.8 57.1 76.1 40 134 A R H X S+ 0 0 55 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.879 107.5 46.6 -67.7 -34.6 19.9 54.0 76.4 41 135 A T H X S+ 0 0 0 -4,-1.6 4,-2.0 75,-0.4 79,-0.3 0.953 113.0 47.8 -69.0 -51.3 22.4 55.8 74.3 42 136 A V H X S+ 0 0 9 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.919 115.1 45.2 -55.3 -49.0 22.2 59.0 76.3 43 137 A H H X S+ 0 0 15 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.890 109.1 54.7 -65.8 -39.4 22.5 57.1 79.6 44 138 A S H X S+ 0 0 7 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.887 107.4 53.8 -62.2 -35.0 25.4 55.0 78.4 45 139 A V H < S+ 0 0 0 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.930 115.1 36.8 -65.0 -46.0 27.2 58.2 77.5 46 140 A I H < S+ 0 0 18 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.902 121.2 44.9 -75.1 -39.7 26.9 59.8 80.9 47 141 A N H < S+ 0 0 76 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.792 118.7 41.2 -75.2 -27.2 27.3 56.6 83.0 48 142 A R S < S+ 0 0 92 -4,-1.9 75,-0.6 -5,-0.3 77,-0.4 0.387 105.3 77.4-101.5 2.4 30.3 55.2 81.0 49 143 A S S S- 0 0 10 -4,-0.4 2,-0.5 -3,-0.4 5,-0.1 -0.937 86.5-112.2-120.0 135.8 32.1 58.6 80.6 50 144 A P >> - 0 0 36 0, 0.0 3,-3.1 0, 0.0 4,-0.5 -0.497 31.3-134.4 -64.2 114.2 34.2 60.5 83.1 51 145 A R G >4 S+ 0 0 119 -2,-0.5 3,-1.0 1,-0.3 -4,-0.0 0.754 101.6 58.5 -41.7 -39.0 32.0 63.6 83.8 52 146 A H G 34 S+ 0 0 153 1,-0.2 -1,-0.3 -29,-0.0 3,-0.0 0.450 102.2 56.9 -76.3 3.1 34.9 66.1 83.5 53 147 A M G <4 S+ 0 0 10 -3,-3.1 -29,-2.6 -30,-0.1 2,-0.5 0.549 93.9 76.5-106.3 -13.2 35.6 64.8 79.9 54 148 A I E << -a 24 0A 4 -3,-1.0 -29,-0.2 -4,-0.5 3,-0.1 -0.881 51.5-175.3-105.7 127.3 32.1 65.6 78.6 55 149 A E E - 0 0 66 -31,-3.5 2,-0.3 -2,-0.5 -30,-0.2 0.969 64.8 -50.0 -76.6 -67.3 31.1 69.1 77.7 56 150 A E E - 0 0 4 -32,-0.5 -30,-1.2 26,-0.1 2,-0.5 -0.922 48.6-109.2-159.6 176.2 27.5 68.4 76.8 57 151 A I E -ac 26 84A 0 26,-2.5 28,-2.5 -2,-0.3 2,-0.6 -0.986 24.3-159.0-121.9 127.9 25.3 66.2 74.7 58 152 A V E -ac 27 85A 0 -32,-2.9 -30,-3.0 -2,-0.5 2,-0.6 -0.937 2.2-163.8-112.3 119.4 23.5 67.5 71.7 59 153 A L E -ac 28 86A 1 26,-2.9 28,-1.6 -2,-0.6 2,-0.7 -0.900 6.0-159.0-102.8 118.3 20.5 65.6 70.4 60 154 A V E -ac 29 87A 0 -32,-4.1 -30,-2.9 -2,-0.6 2,-0.6 -0.857 4.3-153.3-103.8 107.7 19.5 66.6 66.9 61 155 A D E -ac 30 88A 9 26,-2.8 28,-2.7 -2,-0.7 2,-1.5 -0.674 5.2-151.9 -79.1 115.9 15.9 65.8 66.0 62 156 A D - 0 0 4 -32,-3.4 -1,-0.1 -2,-0.6 26,-0.1 -0.445 62.8 -68.3 -89.4 65.5 15.7 65.2 62.3 63 157 A A S S- 0 0 23 -2,-1.5 -1,-0.2 26,-0.3 29,-0.1 0.958 76.0-177.9 53.5 58.9 12.0 66.3 61.8 64 158 A S - 0 0 18 -34,-0.1 28,-0.1 1,-0.1 -33,-0.0 0.104 24.9-153.9 -69.8-165.9 10.6 63.3 63.6 65 159 A E + 0 0 134 5,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.366 53.9 113.4-147.0 -15.9 6.8 62.7 64.0 66 160 A R >> - 0 0 120 1,-0.1 3,-1.5 2,-0.0 4,-0.6 -0.541 61.6-137.9 -76.3 128.1 6.5 60.6 67.2 67 161 A D G >4 S+ 0 0 134 -2,-0.3 3,-1.7 1,-0.3 4,-0.3 0.864 98.3 58.1 -44.8 -55.5 4.8 62.3 70.2 68 162 A F G 34>S+ 0 0 62 1,-0.3 5,-0.8 2,-0.1 -1,-0.3 0.732 98.6 61.7 -55.8 -25.1 7.2 61.0 72.9 69 163 A L G <45S+ 0 0 1 -3,-1.5 -1,-0.3 3,-0.1 5,-0.2 0.733 98.8 60.5 -75.2 -22.3 10.2 62.7 71.2 70 164 A K T 5S+ 0 0 178 -4,-0.3 4,-3.6 2,-0.2 5,-0.2 0.908 130.3 58.1 -73.7 -40.9 8.1 67.8 74.9 72 166 A P H >5S+ 0 0 62 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.908 108.2 48.7 -54.1 -44.6 8.5 64.6 77.0 73 167 A L H >< S+ 0 0 92 -4,-3.5 3,-0.5 1,-0.2 -1,-0.2 0.838 113.8 56.7 -56.5 -36.6 13.2 64.3 80.7 77 171 A V H 3< S+ 0 0 7 -4,-3.3 7,-0.2 -5,-0.2 -2,-0.2 0.948 96.5 56.9 -62.9 -57.1 16.4 65.8 79.2 78 172 A K H 3< S+ 0 0 171 -4,-2.3 2,-0.9 1,-0.2 -1,-0.2 0.660 95.8 76.4 -52.1 -17.2 16.8 69.0 81.2 79 173 A K S << S+ 0 0 174 -4,-0.6 2,-0.3 -3,-0.5 -1,-0.2 -0.658 81.8 69.1-102.8 78.5 16.7 66.9 84.4 80 174 A L S S- 0 0 35 -2,-0.9 4,-0.1 1,-0.2 -3,-0.0 -0.935 85.0 -83.8 178.6 159.5 20.1 65.2 84.7 81 175 A K S S+ 0 0 126 -2,-0.3 -1,-0.2 2,-0.1 3,-0.0 0.847 104.7 47.7 -30.8 -79.5 23.9 65.4 85.4 82 176 A V S S- 0 0 2 1,-0.1 2,-0.4 -3,-0.1 -26,-0.1 -0.461 95.7-106.3 -74.3 141.2 25.3 66.3 82.0 83 177 A P - 0 0 54 0, 0.0 -26,-2.5 0, 0.0 2,-0.5 -0.566 39.7-172.9 -72.4 122.7 23.7 69.2 80.1 84 178 A V E -c 57 0A 8 -2,-0.4 2,-0.3 -7,-0.2 -26,-0.2 -0.975 2.7-165.5-120.9 124.5 21.7 67.8 77.1 85 179 A H E -c 58 0A 83 -28,-2.5 -26,-2.9 -2,-0.5 2,-0.5 -0.772 11.8-144.5-108.2 153.6 20.2 70.1 74.5 86 180 A V E -c 59 0A 30 -2,-0.3 2,-0.2 -28,-0.2 -26,-0.2 -0.815 16.8-173.3-123.5 94.2 17.6 69.2 71.9 87 181 A I E -c 60 0A 43 -28,-1.6 -26,-2.8 -2,-0.5 2,-0.5 -0.559 12.6-146.7 -81.7 145.8 18.0 71.0 68.5 88 182 A R E -c 61 0A 71 -2,-0.2 2,-0.5 -28,-0.2 -26,-0.2 -0.954 8.0-141.6-126.1 125.4 15.2 70.6 65.9 89 183 A M - 0 0 24 -28,-2.7 -26,-0.3 -2,-0.5 3,-0.2 -0.663 16.5-146.9 -78.3 122.0 15.4 70.4 62.1 90 184 A E S S+ 0 0 149 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.933 81.3 12.3 -55.6 -56.7 12.4 72.3 60.7 91 185 A Q S S- 0 0 153 1,-0.1 -1,-0.2 0, 0.0 -28,-0.1 -0.969 111.7 -70.8-132.3 116.3 11.9 70.2 57.5 92 186 A R + 0 0 91 -2,-0.4 -29,-0.1 -3,-0.2 -1,-0.1 0.551 57.1 170.9 3.5 125.0 13.6 66.8 57.0 93 187 A S - 0 0 29 -4,-0.1 4,-0.2 1,-0.1 2,-0.2 0.819 29.8-114.6-122.7 -43.8 17.3 67.2 56.4 94 188 A G > - 0 0 5 1,-0.1 4,-2.1 2,-0.1 5,-0.2 -0.423 38.2 -77.5 121.4 162.6 19.6 64.2 56.3 95 189 A L H > S+ 0 0 37 126,-0.6 4,-3.1 2,-0.2 5,-0.3 0.944 125.9 49.1 -63.3 -49.0 22.5 63.0 58.5 96 190 A I H > S+ 0 0 12 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.950 113.6 46.1 -54.4 -54.9 25.1 65.4 57.1 97 191 A R H > S+ 0 0 84 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 115.3 47.2 -55.5 -43.7 22.9 68.4 57.5 98 192 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.886 112.8 47.8 -69.2 -39.9 21.9 67.4 61.0 99 193 A R H X S+ 0 0 1 -4,-3.1 4,-1.3 2,-0.2 -2,-0.2 0.910 111.0 52.2 -66.9 -41.1 25.5 66.7 62.1 100 194 A L H X S+ 0 0 43 -4,-2.9 4,-1.9 -5,-0.3 -2,-0.2 0.925 112.8 45.9 -59.5 -43.7 26.6 70.0 60.7 101 195 A K H X S+ 0 0 91 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.944 112.9 46.6 -65.9 -50.6 23.9 71.8 62.6 102 196 A G H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.672 112.3 54.2 -66.8 -15.6 24.4 70.0 65.9 103 197 A A H < S+ 0 0 5 -4,-1.3 3,-0.3 2,-0.2 -1,-0.2 0.874 102.5 52.9 -84.5 -42.2 28.2 70.6 65.6 104 198 A A H < S+ 0 0 78 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.733 112.3 50.2 -65.1 -19.0 27.9 74.3 65.0 105 199 A V H < S+ 0 0 46 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.755 93.9 87.9 -89.3 -27.7 25.9 74.3 68.3 106 200 A S < - 0 0 7 -4,-0.8 5,-0.1 -3,-0.3 -79,-0.0 -0.280 54.6-166.5 -69.5 158.5 28.4 72.3 70.3 107 201 A R + 0 0 186 3,-0.1 -1,-0.1 -83,-0.0 2,-0.1 0.318 46.1 116.0-128.6 4.6 31.2 74.0 72.2 108 202 A G S S- 0 0 0 1,-0.1 -84,-0.2 2,-0.1 -83,-0.1 -0.398 71.9-121.5 -74.4 155.3 33.6 71.2 73.2 109 203 A Q S S+ 0 0 76 -86,-0.9 97,-3.5 1,-0.2 2,-0.4 0.850 101.6 37.1 -65.9 -32.4 37.1 71.1 71.8 110 204 A V E S-bD 24 205A 0 -87,-1.8 -85,-1.5 95,-0.3 2,-0.5 -0.985 78.6-145.5-124.9 128.5 36.4 67.7 70.2 111 205 A I E -bD 25 204A 1 93,-2.6 93,-2.5 -2,-0.4 2,-0.5 -0.797 9.5-159.6 -94.7 129.5 33.1 66.6 68.7 112 206 A T E -bD 26 203A 2 -87,-1.2 -85,-3.9 -2,-0.5 2,-0.5 -0.940 5.9-153.6-112.5 124.6 32.0 63.0 69.0 113 207 A F E +bD 27 202A 0 89,-3.2 89,-1.3 -2,-0.5 2,-0.3 -0.844 23.1 158.4-101.3 129.7 29.4 61.7 66.6 114 208 A L E -b 28 0A 2 -87,-1.9 -85,-0.7 -2,-0.5 2,-0.2 -0.912 35.0-113.4-140.2 164.7 27.1 58.8 67.5 115 209 A D E -b 29 0A 19 -2,-0.3 3,-0.5 -87,-0.2 -85,-0.1 -0.505 32.9-107.6 -95.3 169.2 23.8 57.4 66.4 116 210 A A S S+ 0 0 1 -87,-0.6 -75,-0.4 1,-0.2 -76,-0.2 0.513 114.0 58.5 -74.2 -3.9 20.5 57.3 68.4 117 211 A H S S+ 0 0 44 134,-0.1 134,-2.0 -76,-0.1 2,-0.3 -0.468 82.1 110.3-125.2 61.0 21.0 53.6 68.8 118 212 A C E -E 250 0A 1 -3,-0.5 2,-0.3 -81,-0.3 132,-0.2 -0.828 46.8-152.1-129.6 168.5 24.3 53.0 70.5 119 213 A E E -E 249 0A 8 130,-1.1 130,-3.8 -2,-0.3 26,-0.2 -0.920 18.9-136.4-146.1 116.6 25.8 51.8 73.8 120 214 A C E -E 248 0A 2 -2,-0.3 128,-0.2 -79,-0.3 2,-0.1 -0.418 15.5-136.8 -76.9 145.5 29.1 52.9 75.2 121 215 A T > - 0 0 2 126,-1.6 3,-1.3 -2,-0.1 2,-0.3 -0.425 33.8 -83.9 -94.0 168.0 31.6 50.6 76.8 122 216 A A T 3 S+ 0 0 22 -117,-0.3 -114,-0.2 1,-0.3 125,-0.1 -0.595 117.4 14.3 -73.2 129.1 33.7 51.1 79.9 123 217 A G T 3 S+ 0 0 14 -75,-0.6 -1,-0.3 -2,-0.3 -74,-0.1 0.714 87.8 129.5 79.4 21.6 36.8 53.0 79.1 124 218 A W <> + 0 0 2 -3,-1.3 4,-0.6 -76,-0.4 -2,-0.1 0.883 67.6 43.2 -75.8 -40.0 35.5 54.1 75.7 125 219 A L H >> S+ 0 0 0 -77,-0.4 4,-2.1 -4,-0.3 3,-0.6 0.930 100.4 61.1 -75.7 -51.3 36.2 57.9 75.9 126 220 A E H 3> S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.894 105.1 48.6 -47.1 -52.0 39.7 58.4 77.5 127 221 A P H 3> S+ 0 0 6 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.863 110.7 52.2 -62.1 -31.6 41.5 56.6 74.7 128 222 A L H X S+ 0 0 59 -4,-1.3 4,-1.6 -3,-0.3 3,-0.9 0.969 110.5 47.4 -65.8 -53.0 44.8 60.2 70.7 132 226 A I H 3< S+ 0 0 6 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.786 109.0 56.3 -58.5 -29.0 43.5 63.5 69.5 133 227 A K H 3< S+ 0 0 97 -4,-1.9 -1,-0.3 1,-0.2 3,-0.2 0.784 104.9 51.7 -74.3 -28.6 45.5 65.2 72.3 134 228 A H H << S+ 0 0 132 -4,-1.2 2,-0.3 -3,-0.9 -2,-0.2 0.806 133.5 5.0 -75.2 -31.8 48.7 63.5 70.9 135 229 A D >< - 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0 0 1 4,-1.8 3,-2.6 -2,-0.3 4,-0.1 -0.541 39.5 -91.2-109.9 175.7 35.2 48.1 46.9 167 261 A W T 3 S+ 0 0 0 1,-0.3 112,-0.1 -2,-0.2 -1,-0.0 0.848 124.2 61.1 -52.6 -36.7 35.0 49.0 43.2 168 262 A K T 3 S- 0 0 84 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.388 116.9-116.3 -73.9 5.6 31.3 49.9 43.7 169 263 A L < + 0 0 2 -3,-2.6 2,-0.3 1,-0.3 58,-0.3 0.734 66.8 146.5 65.1 24.4 32.5 52.5 46.2 170 264 A N - 0 0 45 -4,-0.1 -4,-1.8 56,-0.1 -1,-0.3 -0.693 53.4-117.4 -88.9 143.1 30.7 50.6 49.0 171 265 A F E -J 165 0B 49 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.464 41.9-178.0 -72.5 155.9 32.3 50.8 52.4 172 266 A R E -J 164 0B 90 -8,-1.5 -8,-2.6 -2,-0.1 2,-0.4 -0.990 29.9-113.7-158.1 151.0 33.3 47.3 53.6 173 267 A W E +J 163 0B 120 -2,-0.3 -10,-0.2 -10,-0.2 -8,-0.0 -0.729 39.1 179.5 -88.6 132.1 34.9 45.5 56.6 174 268 A Y E -J 162 0B 20 -12,-3.1 -12,-3.9 -2,-0.4 2,-0.2 -0.963 31.4 -99.2-135.5 151.8 38.3 44.0 56.0 175 269 A P E -J 161 0B 92 0, 0.0 -14,-0.3 0, 0.0 -15,-0.0 -0.469 41.7-108.6 -70.1 133.6 40.9 42.1 58.0 176 270 A V - 0 0 13 -16,-2.2 2,-0.1 -2,-0.2 18,-0.0 -0.416 43.2-135.7 -59.2 132.3 43.8 44.0 59.4 177 271 A P >> - 0 0 30 0, 0.0 4,-0.9 0, 0.0 3,-0.5 -0.356 21.3 -96.4 -89.5 172.9 46.9 42.9 57.4 178 272 A Q H >> S+ 0 0 134 1,-0.2 4,-3.6 2,-0.2 3,-1.1 0.865 117.8 63.1 -52.9 -45.8 50.5 42.0 58.4 179 273 A R H 3> S+ 0 0 69 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.913 105.1 46.9 -49.4 -47.3 51.9 45.5 57.7 180 274 A E H <> S+ 0 0 2 -3,-0.5 4,-0.7 1,-0.2 -1,-0.3 0.732 115.9 46.0 -65.9 -24.1 49.6 46.9 60.4 181 275 A M H <<>S+ 0 0 31 -3,-1.1 5,-2.0 -4,-0.9 -2,-0.2 0.828 113.5 48.1 -84.6 -38.9 50.7 44.1 62.8 182 276 A D H ><5S+ 0 0 104 -4,-3.6 3,-1.0 3,-0.2 -2,-0.2 0.878 108.6 55.2 -68.3 -38.8 54.4 44.5 61.9 183 277 A R H 3<5S+ 0 0 110 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.850 114.3 39.0 -64.4 -35.1 54.1 48.2 62.5 184 278 A R T ><5S- 0 0 7 -4,-0.7 3,-2.5 -5,-0.2 -1,-0.3 0.303 106.2-129.6 -95.8 7.4 52.7 47.7 66.0 185 279 A K T < 5S- 0 0 192 -3,-1.0 -3,-0.2 1,-0.3 3,-0.1 0.760 71.3 -52.8 49.5 29.7 55.1 44.8 66.6 186 280 A G T 3 -D 110 0A 9 -69,-0.5 4,-2.2 -67,-0.4 -95,-0.3 -0.405 36.2-130.9 -60.2 131.8 39.0 68.0 66.8 206 300 A R H > S+ 0 0 36 -97,-3.5 4,-1.2 1,-0.2 -1,-0.1 0.897 107.3 41.5 -51.1 -47.2 36.5 70.8 66.5 207 301 A D H > S+ 0 0 69 -98,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.741 110.6 56.4 -77.6 -22.3 38.9 73.0 64.5 208 302 A Y H > S+ 0 0 2 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.864 101.9 57.4 -75.7 -34.7 40.2 70.2 62.4 209 303 A F H <>S+ 0 0 6 -4,-2.2 5,-3.1 1,-0.2 3,-0.3 0.947 111.9 40.5 -57.1 -52.9 36.7 69.4 61.2 210 304 A Q H ><5S+ 0 0 112 -4,-1.2 3,-1.4 3,-0.2 -1,-0.2 0.868 111.0 60.5 -63.7 -39.7 36.2 72.9 59.8 211 305 A E H 3<5S+ 0 0 92 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.807 107.6 41.2 -61.1 -36.4 39.8 72.9 58.5 212 306 A I T 3<5S- 0 0 3 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.188 128.9 -92.1 -99.1 16.2 39.4 69.9 56.2 213 307 A G T < 5 - 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