==== 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 ISOMERASE 20-JAN-05 2BI7 . COMPND 2 MOLECULE: UDP-GALACTOPYRANOSE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR K.BEIS,V.SRIKANNATHASAN,J.H.NAISMITH . 383 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 35 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 2 0 0 2 2 1 1 2 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 1 1 4 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 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 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 K 0 0 102 0, 0.0 2,-0.8 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 121.1 -25.6 56.4 -2.0 2 3 A S - 0 0 61 24,-0.1 2,-0.1 2,-0.0 24,-0.1 -0.803 360.0-147.1 -86.5 112.4 -27.4 53.2 -1.0 3 4 A K - 0 0 65 -2,-0.8 24,-2.7 18,-0.1 2,-0.7 -0.453 8.5-127.8 -84.3 152.7 -25.4 50.5 -2.7 4 5 A K E -a 27 0A 103 22,-0.2 223,-2.7 -2,-0.1 224,-1.3 -0.900 32.7-168.6-100.5 115.5 -26.7 47.2 -4.0 5 6 A I E -ab 28 228A 0 22,-2.3 24,-3.2 -2,-0.7 2,-0.5 -0.872 15.3-160.9-113.6 128.3 -24.7 44.4 -2.6 6 7 A L E -ab 29 229A 0 222,-2.3 224,-2.9 -2,-0.4 2,-0.5 -0.947 10.6-170.2-104.3 127.1 -24.6 40.8 -3.6 7 8 A I E -ab 30 230A 1 22,-3.2 24,-2.6 -2,-0.5 2,-0.9 -0.975 11.5-150.9-118.6 122.1 -23.2 38.4 -1.0 8 9 A V E +ab 31 231A 16 222,-3.1 224,-1.9 -2,-0.5 24,-0.2 -0.833 68.4 25.6 -96.8 106.2 -22.5 34.8 -2.0 9 10 A G - 0 0 10 22,-3.4 23,-0.2 -2,-0.9 22,-0.1 0.146 60.1-138.1 114.6 131.0 -22.9 32.6 1.1 10 11 A A + 0 0 0 26,-0.2 28,-2.8 4,-0.1 -1,-0.1 -0.119 67.0 108.9-110.1 33.2 -24.8 32.9 4.4 11 12 A G S > S- 0 0 13 27,-0.2 4,-2.6 26,-0.2 5,-0.3 -0.154 96.2 -68.5 -84.0-167.3 -22.1 31.6 6.8 12 13 A F H > S+ 0 0 8 26,-0.5 4,-2.2 1,-0.2 5,-0.4 0.875 133.5 53.2 -54.1 -39.9 -20.3 33.9 9.2 13 14 A S H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.976 115.6 36.6 -62.0 -54.9 -18.5 35.8 6.4 14 15 A G H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.864 119.6 48.5 -67.5 -37.7 -21.6 36.7 4.4 15 16 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.924 113.6 44.7 -69.9 -46.7 -23.8 37.3 7.3 16 17 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.929 117.0 44.6 -68.2 -45.7 -21.4 39.6 9.3 17 18 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.4 5,-0.3 0.957 114.0 53.2 -60.7 -47.4 -20.5 41.6 6.2 18 19 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.918 109.0 46.8 -48.8 -54.2 -24.2 41.7 5.3 19 20 A R H X S+ 0 0 38 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.911 109.9 53.0 -60.2 -45.2 -25.3 43.1 8.6 20 21 A Q H < S+ 0 0 52 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.881 115.4 40.1 -58.8 -42.1 -22.6 45.8 8.8 21 22 A L H ><>S+ 0 0 0 -4,-2.0 5,-1.9 1,-0.2 3,-1.5 0.889 111.2 56.8 -75.0 -41.1 -23.5 47.2 5.4 22 23 A A H ><5S+ 0 0 1 -4,-2.7 3,-1.5 -5,-0.3 -2,-0.2 0.851 102.2 57.4 -54.0 -38.7 -27.3 46.8 5.9 23 24 A E T 3<5S+ 0 0 99 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.609 101.7 55.9 -72.8 -12.5 -26.9 49.0 9.0 24 25 A K T < 5S- 0 0 141 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.145 128.4 -96.1-103.6 15.2 -25.4 51.7 6.9 25 26 A G T < 5S+ 0 0 36 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.457 77.0 142.7 92.5 2.3 -28.5 51.7 4.6 26 27 A H < - 0 0 10 -5,-1.9 2,-1.0 -24,-0.1 -1,-0.3 -0.445 55.3-119.6 -78.3 150.0 -27.1 49.5 1.9 27 28 A Q E -a 4 0A 91 -24,-2.7 -22,-2.3 -2,-0.1 2,-0.5 -0.787 35.0-164.2 -94.6 101.6 -29.4 47.0 0.1 28 29 A V E -ac 5 210A 3 181,-2.5 183,-2.5 -2,-1.0 2,-0.6 -0.739 11.9-169.8 -97.7 125.7 -27.9 43.6 0.8 29 30 A H E -ac 6 211A 27 -24,-3.2 -22,-3.2 -2,-0.5 2,-0.6 -0.954 7.9-169.3-114.0 115.3 -28.8 40.5 -1.1 30 31 A I E -ac 7 212A 0 181,-3.1 183,-2.7 -2,-0.6 2,-0.4 -0.924 4.2-175.1-111.7 121.0 -27.5 37.2 0.3 31 32 A I E -ac 8 213A 0 -24,-2.6 -22,-3.4 -2,-0.6 2,-0.3 -0.862 5.2-177.1-112.3 147.9 -27.7 34.0 -1.6 32 33 A D E - c 0 214A 14 181,-2.1 184,-2.1 -2,-0.4 183,-0.5 -0.972 25.0-147.3-144.0 134.3 -26.8 30.5 -0.6 33 34 A Q S S+ 0 0 120 -2,-0.3 184,-0.2 182,-0.3 -1,-0.1 0.730 80.8 82.2 -68.3 -24.1 -26.9 27.3 -2.7 34 35 A R S S- 0 0 56 2,-0.2 181,-2.6 182,-0.2 182,-0.3 -0.335 89.5-118.1 -77.1 163.6 -27.7 25.2 0.4 35 36 A D S S+ 0 0 102 179,-0.2 2,-0.3 180,-0.1 179,-0.1 0.289 93.8 42.0 -87.9 10.5 -31.3 24.9 1.9 36 37 A H S S- 0 0 25 6,-0.0 3,-0.4 3,-0.0 -2,-0.2 -0.975 80.0-112.4-151.9 160.1 -30.2 26.6 5.1 37 38 A I S S+ 0 0 23 -2,-0.3 -26,-0.2 1,-0.2 165,-0.1 -0.240 79.8 65.0 -82.0 174.7 -28.2 29.5 6.5 38 39 A G S > S- 0 0 0 -28,-2.8 3,-1.7 4,-0.1 -26,-0.5 0.166 73.5-142.8 104.3 -17.9 -25.0 29.2 8.6 39 40 A G G > S- 0 0 13 -3,-0.4 3,-1.6 1,-0.3 17,-0.1 -0.266 75.5 -12.9 56.3-139.8 -22.5 27.7 6.2 40 41 A N G 3 S+ 0 0 28 1,-0.3 16,-0.4 15,-0.1 -1,-0.3 0.639 136.3 62.4 -68.1 -13.1 -20.1 25.2 7.8 41 42 A S G < S+ 0 0 12 -3,-1.7 156,-0.3 14,-0.1 -1,-0.3 0.499 76.4 132.7 -90.1 -5.7 -21.1 26.4 11.3 42 43 A Y < - 0 0 47 -3,-1.6 13,-1.0 155,-0.1 14,-0.7 -0.160 31.4-178.4 -53.4 131.9 -24.8 25.3 10.8 43 44 A D E -E 54 0B 5 11,-0.2 2,-0.3 12,-0.1 11,-0.2 -0.944 3.6-178.8-128.9 154.2 -26.4 23.3 13.5 44 45 A A E -E 53 0B 29 9,-1.8 9,-3.1 -2,-0.3 2,-0.4 -0.989 31.2-106.1-148.8 150.6 -29.9 21.8 13.8 45 46 A R E -E 52 0B 91 -2,-0.3 2,-0.3 7,-0.3 7,-0.2 -0.684 34.6-123.5 -79.0 129.8 -31.9 19.8 16.4 46 47 A D > - 0 0 26 5,-2.6 4,-2.3 -2,-0.4 5,-0.1 -0.560 16.6-138.1 -68.4 132.5 -32.4 16.2 15.6 47 48 A S T 4 S+ 0 0 120 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.939 97.0 41.9 -63.3 -48.0 -36.1 15.4 15.5 48 49 A E T 4 S+ 0 0 134 1,-0.2 -1,-0.2 2,-0.1 246,-0.1 0.909 131.9 21.6 -64.7 -46.2 -36.0 12.0 17.4 49 50 A T T 4 S- 0 0 14 2,-0.1 245,-0.2 244,-0.1 -2,-0.2 0.604 88.8-135.4-100.6 -15.6 -33.5 13.0 20.2 50 51 A N < + 0 0 85 -4,-2.3 2,-0.4 1,-0.2 -3,-0.1 0.651 51.4 153.9 58.8 18.3 -33.8 16.9 20.1 51 52 A V - 0 0 0 -5,-0.1 -5,-2.6 1,-0.1 2,-0.8 -0.618 51.9-121.6 -74.0 131.1 -30.0 17.0 20.3 52 53 A M E -E 45 0B 11 -2,-0.4 2,-0.5 -7,-0.2 -7,-0.3 -0.636 35.7-157.1 -70.2 108.4 -28.4 20.1 18.9 53 54 A V E -E 44 0B 3 -9,-3.1 -9,-1.8 -2,-0.8 2,-1.3 -0.781 18.9-136.4 -99.8 127.9 -26.2 18.5 16.2 54 55 A H E > -E 43 0B 5 -2,-0.5 3,-2.3 -11,-0.2 -11,-0.2 -0.710 27.8-159.1 -79.9 95.5 -23.1 20.4 14.8 55 56 A V T 3 S+ 0 0 36 -2,-1.3 -1,-0.2 -13,-1.0 -12,-0.1 0.775 80.9 33.4 -60.4 -38.7 -24.0 19.4 11.3 56 57 A Y T 3 S- 0 0 29 -14,-0.7 -1,-0.3 1,-0.4 -13,-0.1 -0.027 130.5 -68.3-107.0 28.1 -20.6 19.8 9.6 57 58 A G S < S- 0 0 3 -3,-2.3 -1,-0.4 2,-0.1 196,-0.0 -0.204 79.0 -31.3 107.7 164.5 -18.6 18.8 12.6 58 59 A P - 0 0 19 0, 0.0 2,-0.5 0, 0.0 -5,-0.0 -0.222 52.8-167.7 -54.9 128.9 -17.8 20.1 16.1 59 60 A H - 0 0 27 -18,-0.1 2,-0.5 2,-0.0 138,-0.1 -0.947 5.4-177.5-126.9 112.1 -17.7 23.9 16.3 60 61 A I - 0 0 18 -2,-0.5 2,-0.5 132,-0.1 291,-0.2 -0.913 20.1-138.2-112.0 122.5 -16.2 25.3 19.5 61 62 A F E +F 191 0C 1 130,-0.9 130,-1.9 -2,-0.5 2,-0.3 -0.714 36.1 153.0 -86.7 128.8 -16.2 29.1 19.9 62 63 A H E +F 190 0C 11 -2,-0.5 290,-0.4 128,-0.2 2,-0.3 -0.980 7.5 155.8-153.7 142.9 -13.0 30.6 21.3 63 64 A T E -F 189 0C 0 126,-2.5 126,-2.7 -2,-0.3 -2,-0.0 -0.989 40.4-155.4-165.0 152.0 -11.2 34.0 21.0 64 65 A D S S+ 0 0 109 -2,-0.3 2,-0.9 124,-0.2 3,-0.1 0.279 76.2 101.4-106.2 2.9 -8.8 36.5 22.5 65 66 A N > - 0 0 61 1,-0.2 4,-2.3 124,-0.1 3,-0.3 -0.789 54.4-168.9 -96.0 99.6 -10.6 39.3 20.6 66 67 A E H > S+ 0 0 104 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.727 85.3 59.0 -61.0 -25.5 -12.9 41.1 22.9 67 68 A T H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 109.0 43.9 -68.6 -44.5 -14.6 43.0 20.1 68 69 A V H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.918 112.0 53.9 -66.0 -43.2 -15.6 39.7 18.4 69 70 A W H X S+ 0 0 42 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.930 110.1 46.5 -54.5 -49.1 -16.7 38.3 21.8 70 71 A N H X S+ 0 0 91 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.911 110.3 55.3 -62.4 -41.7 -19.0 41.3 22.4 71 72 A Y H >< S+ 0 0 25 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.930 108.6 45.4 -54.4 -53.2 -20.3 41.0 18.9 72 73 A V H >X S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 4,-0.6 0.839 107.0 58.6 -66.3 -31.0 -21.4 37.3 19.3 73 74 A N H 3< S+ 0 0 66 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.691 98.2 61.5 -69.8 -18.9 -23.0 38.0 22.7 74 75 A K T << S+ 0 0 156 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.591 114.2 34.4 -73.7 -15.9 -25.3 40.5 21.0 75 76 A H T <4 S+ 0 0 20 -3,-1.3 2,-0.3 -4,-0.3 128,-0.3 0.400 125.5 22.8-124.0 0.4 -26.7 37.7 18.9 76 77 A A S < S- 0 0 21 -4,-0.6 2,-0.8 127,-0.1 -1,-0.3 -0.977 73.5-110.3-162.0 149.7 -26.7 34.7 21.2 77 78 A E - 0 0 119 -2,-0.3 117,-3.6 -3,-0.1 2,-0.5 -0.823 43.1-146.0 -83.0 110.6 -26.7 33.8 24.9 78 79 A M E -G 193 0C 20 -2,-0.8 112,-0.0 115,-0.2 -5,-0.0 -0.718 8.1-149.2 -90.0 122.0 -23.2 32.4 25.2 79 80 A M E -G 192 0C 34 113,-3.8 113,-1.9 -2,-0.5 -1,-0.0 -0.726 26.4-103.9 -92.3 132.8 -22.9 29.5 27.6 80 81 A P E +G 191 0C 119 0, 0.0 2,-0.3 0, 0.0 111,-0.2 -0.341 55.2 161.5 -50.4 131.4 -19.6 28.9 29.6 81 82 A Y - 0 0 21 109,-0.7 2,-0.5 -20,-0.1 205,-0.0 -0.875 24.8-171.6-159.4 123.2 -18.0 26.0 27.8 82 83 A V - 0 0 61 -2,-0.3 2,-0.2 108,-0.0 -20,-0.0 -0.973 27.3-132.4-120.6 113.8 -14.4 24.8 28.0 83 84 A N - 0 0 6 -2,-0.5 101,-2.8 108,-0.0 102,-0.4 -0.441 23.6-173.9 -69.8 133.8 -13.6 22.1 25.5 84 85 A R - 0 0 106 99,-0.2 183,-0.5 -2,-0.2 2,-0.4 -0.996 7.6-157.2-129.4 133.4 -11.8 19.0 26.8 85 86 A V E -Hi 96 267D 7 11,-0.9 11,-2.3 97,-0.4 2,-0.3 -0.904 5.3-161.1-118.4 140.8 -10.6 16.3 24.5 86 87 A K E -Hi 95 268D 61 181,-1.7 183,-3.3 -2,-0.4 2,-0.4 -0.844 7.3-155.4-113.7 156.0 -9.7 12.6 25.2 87 88 A A E -Hi 94 269D 0 7,-2.6 7,-3.1 -2,-0.3 2,-0.5 -0.999 5.1-149.7-135.1 132.3 -7.6 10.4 22.9 88 89 A T E +Hi 93 270D 35 181,-3.2 183,-1.2 -2,-0.4 184,-0.5 -0.887 38.3 134.0-104.0 123.7 -7.7 6.6 22.7 89 90 A V E > +H 92 0D 7 3,-2.4 3,-1.4 -2,-0.5 -2,-0.1 -0.947 58.5 21.1-168.5 145.8 -4.4 4.9 21.7 90 91 A N T 3 S- 0 0 97 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.851 127.9 -63.5 57.5 38.3 -2.3 2.0 22.9 91 92 A G T 3 S+ 0 0 85 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.694 119.4 96.8 62.0 20.7 -5.3 0.4 24.5 92 93 A Q E < S-H 89 0D 68 -3,-1.4 -3,-2.4 -5,-0.0 2,-0.4 -0.885 70.3-126.9-134.5 162.9 -5.6 3.4 26.9 93 94 A V E +H 88 0D 68 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.963 32.3 179.5-114.5 131.1 -7.5 6.7 27.1 94 95 A F E -H 87 0D 1 -7,-3.1 -7,-2.6 -2,-0.4 2,-0.3 -0.855 29.1-110.3-127.0 158.7 -5.5 9.9 27.6 95 96 A S E -H 86 0D 9 -2,-0.3 4,-0.4 -9,-0.2 -9,-0.2 -0.681 44.7-112.5 -83.8 143.9 -6.2 13.7 28.0 96 97 A L E S+H 85 0D 18 -11,-2.3 -11,-0.9 -2,-0.3 2,-0.2 -0.947 88.4 47.1-121.7 148.2 -5.2 16.0 25.1 97 98 A P S S- 0 0 37 0, 0.0 5,-0.2 0, 0.0 2,-0.2 0.600 107.2 -94.1 -66.2 168.0 -3.2 18.1 24.6 98 99 A I + 0 0 5 77,-0.4 79,-2.6 -2,-0.2 2,-0.2 -0.355 66.3 157.6 -56.9 119.9 -0.3 16.2 26.1 99 100 A N > - 0 0 0 -4,-0.4 4,-2.5 77,-0.2 5,-0.2 -0.674 58.5 -73.5-133.1-169.6 -0.1 17.4 29.7 100 101 A L H > S+ 0 0 1 79,-2.5 4,-2.2 77,-0.4 80,-0.2 0.859 130.4 49.0 -60.1 -38.1 1.2 16.2 33.1 101 102 A H H > S+ 0 0 103 78,-0.4 4,-2.7 2,-0.2 5,-0.3 0.901 110.2 52.2 -64.8 -43.3 -1.6 13.6 33.5 102 103 A T H > S+ 0 0 0 -5,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.949 113.0 44.0 -54.9 -52.3 -0.9 12.3 29.9 103 104 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.909 114.8 48.2 -60.6 -46.0 2.8 11.9 30.7 104 105 A N H <>S+ 0 0 9 -4,-2.2 5,-3.3 -5,-0.2 4,-0.5 0.923 116.4 42.6 -65.9 -42.7 2.2 10.3 34.0 105 106 A Q H ><5S+ 0 0 62 -4,-2.7 3,-0.9 3,-0.2 -2,-0.2 0.943 114.1 52.0 -65.2 -48.5 -0.4 7.9 32.7 106 107 A F H 3<5S+ 0 0 29 -4,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.903 121.8 30.2 -56.3 -48.5 1.7 7.1 29.5 107 108 A F T 3<5S- 0 0 34 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.342 108.7-117.9 -96.5 7.1 4.9 6.3 31.4 108 109 A S T < 5 + 0 0 114 -3,-0.9 -3,-0.2 -4,-0.5 2,-0.2 0.956 69.9 137.7 55.4 52.9 3.1 4.9 34.6 109 110 A K < - 0 0 111 -5,-3.3 -1,-0.2 -6,-0.2 -2,-0.0 -0.647 62.3-142.7-126.8-178.8 4.7 7.7 36.6 110 111 A T + 0 0 133 -2,-0.2 5,-0.1 -3,-0.1 -6,-0.1 0.057 42.7 165.8-134.6 22.6 4.0 10.2 39.4 111 112 A C - 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0 0 31 -5,-1.6 2,-0.5 -6,-0.2 -1,-0.2 -0.991 68.0-114.3-141.1 146.6 -7.3 29.4 4.3 348 349 A Y - 0 0 126 -2,-0.3 2,-0.4 -34,-0.1 -35,-0.1 -0.755 44.5-178.4 -77.7 126.6 -8.4 27.6 7.4 349 350 A L - 0 0 20 -2,-0.5 -7,-0.1 4,-0.0 2,-0.1 -0.997 23.2-133.2-131.3 136.3 -10.2 30.1 9.6 350 351 A D > - 0 0 47 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.350 33.6-107.2 -73.3 161.0 -11.8 29.9 13.0 351 352 A M H > S+ 0 0 19 -291,-0.2 4,-2.5 1,-0.2 5,-0.2 0.924 119.8 48.6 -55.5 -49.3 -15.2 31.4 13.6 352 353 A D H > S+ 0 0 15 -290,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.898 113.2 46.5 -62.7 -42.2 -13.8 34.3 15.6 353 354 A V H > S+ 0 0 53 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.930 111.1 53.7 -63.4 -44.1 -11.1 35.1 13.0 354 355 A T H X S+ 0 0 14 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.933 111.4 44.4 -55.1 -49.9 -13.8 34.9 10.3 355 356 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.919 111.9 53.5 -62.5 -44.1 -16.0 37.4 12.1 356 357 A A H X S+ 0 0 29 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.931 112.3 44.4 -55.6 -46.4 -12.9 39.6 12.8 357 358 A E H X S+ 0 0 38 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.845 111.8 52.9 -67.6 -34.8 -12.1 39.6 9.0 358 359 A A H X S+ 0 0 3 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.914 107.8 50.3 -69.1 -45.3 -15.7 40.2 8.0 359 360 A L H X S+ 0 0 31 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.890 114.1 45.9 -57.0 -40.7 -16.0 43.2 10.3 360 361 A K H X S+ 0 0 111 -4,-1.7 4,-3.0 -5,-0.2 -2,-0.2 0.929 108.7 54.9 -70.2 -45.4 -12.8 44.6 8.8 361 362 A T H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.911 110.5 46.3 -51.1 -47.2 -13.8 43.9 5.2 362 363 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.922 111.1 51.7 -64.5 -44.6 -17.1 45.9 5.7 363 364 A E H X S+ 0 0 133 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.910 110.8 49.3 -55.8 -45.0 -15.1 48.7 7.3 364 365 A V H X S+ 0 0 33 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.937 113.4 45.4 -62.7 -48.0 -12.8 48.8 4.3 365 366 A Y H X S+ 0 0 10 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.923 113.5 49.5 -58.9 -47.5 -15.7 48.8 1.8 366 367 A L H >X S+ 0 0 31 -4,-3.1 4,-1.6 1,-0.2 3,-0.6 0.918 111.7 49.0 -60.7 -43.3 -17.5 51.5 3.8 367 368 A N H 3X S+ 0 0 75 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.899 104.8 58.6 -59.1 -44.1 -14.3 53.7 3.9 368 369 A S H 3<>S+ 0 0 8 -4,-2.4 5,-3.9 1,-0.2 -1,-0.2 0.772 106.7 51.0 -58.7 -25.5 -13.9 53.2 0.2 369 370 A L H X<5S+ 0 0 48 -4,-1.0 3,-1.2 -3,-0.6 -2,-0.2 0.948 103.2 54.2 -77.1 -49.7 -17.3 54.8 -0.2 370 371 A T H 3<5S+ 0 0 121 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.909 123.3 25.9 -55.4 -51.6 -16.9 58.0 1.9 371 372 A E T 3<5S- 0 0 59 -4,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.229 114.6-111.0 -99.3 13.4 -13.8 59.3 0.2 372 373 A N T < 5 + 0 0 151 -3,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.981 58.6 161.6 59.0 68.5 -14.6 57.5 -3.1 373 374 A Q < - 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