==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/RNA 12-APR-13 4K4T . COMPND 2 MOLECULE: RNA-DIRECTED RNA POLYMERASE 3D-POL; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN POLIOVIRUS 1; . AUTHOR P.GONG,O.B.PEERSEN . 924 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 610 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 10 1.1 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 . 58 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 7 3 3 2 3 0 5 0 4 0 2 2 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 5 3 4 3 3 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 . 8 0 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 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 1 A G 0 0 0 0, 0.0 63,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.0 59.9 27.4 24.4 2 2 A E E -A 283 0A 80 281,-1.7 281,-2.2 282,-0.3 61,-0.1 -0.975 360.0-111.1-160.6 134.1 62.1 26.2 27.2 3 3 A I E -A 282 0A 37 59,-0.4 279,-0.2 -2,-0.3 3,-0.1 -0.413 20.2-170.5 -71.3 140.7 62.9 23.0 29.1 4 4 A Q E - 0 0 85 277,-3.0 2,-0.3 1,-0.4 -1,-0.1 0.763 68.9 -12.4 -99.6 -40.9 61.8 23.0 32.7 5 5 A W E -A 281 0A 104 276,-0.7 276,-1.8 2,-0.0 -1,-0.4 -0.985 52.7-165.1-157.1 160.6 63.5 19.7 33.7 6 6 A M E +A 280 0A 81 -2,-0.3 274,-0.2 274,-0.2 272,-0.0 -0.975 20.8 151.9-148.0 137.4 65.3 16.7 32.3 7 7 A R E -A 279 0A 109 272,-1.6 272,-2.0 -2,-0.3 2,-0.5 -0.973 52.0 -70.3-165.1 158.4 66.2 13.4 34.0 8 8 A P E > -A 278 0A 40 0, 0.0 3,-4.3 0, 0.0 4,-0.4 -0.447 40.7-129.6 -71.3 110.4 66.8 9.7 33.2 9 9 A S G > >S+ 0 0 0 268,-0.6 5,-1.9 -2,-0.5 3,-1.2 0.641 106.6 61.2 -17.4 -46.2 63.5 8.0 32.2 10 10 A K G > 5S+ 0 0 167 267,-0.4 3,-0.6 1,-0.3 -1,-0.3 0.736 90.8 68.5 -67.9 -24.4 64.2 5.1 34.7 11 11 A E G < 5S+ 0 0 108 -3,-4.3 -1,-0.3 1,-0.2 -2,-0.2 0.840 113.5 28.1 -58.8 -36.4 64.2 7.6 37.6 12 12 A V G < 5S- 0 0 66 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.180 119.3 -99.8-115.9 13.6 60.4 8.2 37.1 13 13 A G T < 5S+ 0 0 65 -3,-0.6 -3,-0.2 -4,-0.3 -4,-0.1 0.425 74.2 138.2 87.8 2.9 59.4 4.8 35.6 14 14 A Y < - 0 0 73 -5,-1.9 -1,-0.3 -6,-0.1 -2,-0.1 -0.550 53.8-111.8 -83.8 145.7 59.3 5.7 31.9 15 15 A P - 0 0 44 0, 0.0 2,-0.3 0, 0.0 -6,-0.1 -0.291 24.5-112.6 -75.2 159.6 60.7 3.2 29.4 16 16 A I - 0 0 92 261,-0.1 2,-0.5 258,-0.1 261,-0.2 -0.655 28.6-147.3 -82.9 143.0 63.8 3.8 27.3 17 17 A I - 0 0 20 259,-2.0 2,-0.8 -2,-0.3 259,-0.1 -0.976 3.4-153.1-114.1 126.7 63.1 4.1 23.6 18 18 A N - 0 0 137 -2,-0.5 3,-0.1 257,-0.0 -2,-0.0 -0.856 8.0-168.6 -99.9 108.3 65.6 2.9 21.1 19 19 A A - 0 0 28 -2,-0.8 -2,-0.0 1,-0.1 138,-0.0 -0.692 42.7 -93.6 -74.8 145.0 65.5 4.6 17.8 20 20 A P - 0 0 114 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.330 33.8-147.0 -51.7 147.3 67.6 2.8 15.1 21 21 A S S S+ 0 0 65 2,-0.1 2,-0.4 -3,-0.1 22,-0.2 0.415 71.3 72.2-107.3 -0.0 71.1 4.5 15.2 22 22 A K S S- 0 0 172 21,-0.1 2,-0.1 138,-0.0 138,-0.1 -0.934 80.5-117.8-121.2 141.6 71.9 4.2 11.6 23 23 A T - 0 0 50 -2,-0.4 -2,-0.1 2,-0.1 138,-0.0 -0.350 4.4-143.7 -72.4 153.4 70.5 6.1 8.7 24 24 A K S S+ 0 0 146 -2,-0.1 2,-1.0 2,-0.1 -1,-0.1 0.370 70.1 111.7 -90.6 1.5 68.5 4.4 5.8 25 25 A L + 0 0 22 378,-0.1 380,-0.2 380,-0.1 -2,-0.1 -0.672 42.8 172.8 -87.6 104.4 70.1 6.9 3.4 26 26 A E E -E 404 0B 97 378,-3.3 378,-2.5 -2,-1.0 2,-0.2 -0.591 42.4 -90.4 -94.3 163.6 72.5 5.1 1.0 27 27 A P E -E 403 0B 71 0, 0.0 376,-0.3 0, 0.0 2,-0.1 -0.525 49.7-126.6 -67.5 146.5 74.2 6.8 -2.0 28 28 A S > - 0 0 13 374,-3.9 3,-2.7 -2,-0.2 4,-0.2 -0.473 22.2 -99.8 -97.0 166.4 72.1 6.4 -5.2 29 29 A A T 3 S+ 0 0 56 1,-0.3 3,-0.3 -2,-0.1 373,-0.1 0.802 128.2 46.8 -44.0 -33.7 72.8 5.1 -8.7 30 30 A F T >> S+ 0 0 0 371,-0.6 4,-1.5 1,-0.2 3,-0.6 0.143 75.1 119.1-102.5 14.1 73.2 8.8 -9.6 31 31 A H T <4 S+ 0 0 20 -3,-2.7 -1,-0.2 1,-0.2 -2,-0.1 0.809 86.8 30.6 -50.0 -38.2 75.5 9.7 -6.7 32 32 A Y T 34 S+ 0 0 204 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.475 105.8 73.3-104.5 -7.9 78.4 10.7 -8.9 33 33 A V T <4 S+ 0 0 26 -3,-0.6 2,-0.3 1,-0.1 -2,-0.2 0.855 103.6 40.8 -69.0 -37.4 76.3 11.9 -11.9 34 34 A F S < S- 0 0 2 -4,-1.5 2,-0.4 364,-0.1 -1,-0.1 -0.881 81.9-126.8-116.5 150.9 75.3 15.0 -10.0 35 35 A E + 0 0 148 -2,-0.3 2,-0.3 -3,-0.0 -3,-0.1 -0.736 41.0 147.0 -98.1 138.0 77.2 17.3 -7.7 36 36 A G - 0 0 10 -2,-0.4 360,-0.0 -5,-0.1 359,-0.0 -0.977 38.2-153.1-170.3 156.9 75.9 18.0 -4.2 37 37 A V + 0 0 93 -2,-0.3 128,-0.3 2,-0.1 2,-0.2 0.343 59.4 104.6-125.2 -1.0 77.1 18.8 -0.7 38 38 A K + 0 0 54 126,-0.1 126,-0.2 127,-0.1 124,-0.1 -0.617 43.7 179.4 -85.6 144.2 74.3 17.6 1.6 39 39 A E E -F 163 0C 67 124,-2.4 124,-2.1 -2,-0.2 122,-0.1 -0.884 40.7 -61.0-131.6 169.5 74.8 14.3 3.6 40 40 A P E -F 162 0C 7 0, 0.0 122,-0.2 0, 0.0 -1,-0.1 -0.174 60.1-108.8 -50.7 145.0 72.7 12.3 6.2 41 41 A A - 0 0 3 120,-1.7 2,-0.5 118,-0.1 -18,-0.1 -0.241 39.5 -89.6 -78.1 161.6 71.9 14.2 9.4 42 42 A V + 0 0 0 1,-0.2 -1,-0.1 125,-0.2 131,-0.1 -0.644 44.2 174.6 -81.1 125.8 73.5 13.2 12.7 43 43 A L + 0 0 24 -2,-0.5 2,-0.2 -22,-0.2 -1,-0.2 0.807 62.0 19.4-101.4 -36.4 71.5 10.6 14.4 44 44 A T - 0 0 20 -23,-0.2 3,-0.1 1,-0.1 -23,-0.0 -0.655 68.8-122.9-124.6-176.3 73.7 9.7 17.5 45 45 A K S S+ 0 0 95 -2,-0.2 2,-2.3 1,-0.2 9,-0.1 0.680 97.3 78.3-108.0 -21.4 76.5 11.3 19.5 46 46 A N S S+ 0 0 141 8,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.487 75.7 130.1 -76.8 65.9 79.1 8.6 19.2 47 47 A D > - 0 0 34 -2,-2.3 3,-1.4 1,-0.2 -5,-0.0 -0.984 58.1-144.4-134.9 123.2 79.6 10.0 15.7 48 48 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.893 95.1 55.6 -45.2 -63.3 82.9 11.0 14.0 49 49 A R T 3 S+ 0 0 91 2,-0.1 2,-0.1 122,-0.0 122,-0.1 0.529 78.3 116.5 -63.7 -7.2 81.9 14.0 11.9 50 50 A L < - 0 0 30 -3,-1.4 119,-0.2 1,-0.2 120,-0.1 -0.443 41.0-177.1 -61.6 132.4 80.5 15.8 15.0 51 51 A K + 0 0 138 118,-2.3 2,-0.2 117,-0.2 119,-0.2 0.557 68.6 13.6-108.5 -19.0 82.5 18.9 15.6 52 52 A T S S- 0 0 58 117,-0.9 2,-0.2 0, 0.0 -1,-0.1 -0.836 106.4 -49.1-143.8-173.7 80.7 19.9 18.8 53 53 A D > - 0 0 71 -2,-0.2 4,-0.8 1,-0.1 -2,-0.1 -0.394 42.5-154.2 -72.1 131.4 78.3 18.4 21.4 54 54 A F H >> S+ 0 0 3 2,-0.2 4,-2.2 -2,-0.2 3,-1.8 0.992 87.3 38.1 -67.6 -72.8 75.3 16.6 20.1 55 55 A E H 3> S+ 0 0 45 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.890 114.3 57.3 -48.4 -48.9 72.5 16.7 22.7 56 56 A E H 34 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.805 112.5 43.7 -47.8 -32.3 73.6 20.3 23.7 57 57 A A H X< S+ 0 0 13 -3,-1.8 3,-1.4 -4,-0.8 4,-0.3 0.943 107.2 53.1 -85.8 -50.0 72.9 21.3 20.1 58 58 A I H 3< S+ 0 0 3 -4,-2.2 3,-0.2 1,-0.3 117,-0.2 0.707 115.9 43.9 -62.3 -20.1 69.7 19.5 19.2 59 59 A F T >< S+ 0 0 20 -4,-1.5 3,-1.5 -5,-0.3 -1,-0.3 0.470 82.4 94.2-103.2 -4.9 68.1 21.1 22.3 60 60 A S T < + 0 0 81 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.634 68.9 80.5 -63.8 -8.6 69.5 24.7 21.9 61 61 A K T 3 S+ 0 0 59 -4,-0.3 2,-3.1 1,-0.2 3,-0.3 0.872 73.0 76.1 -65.4 -36.0 66.2 25.5 20.1 62 62 A Y < + 0 0 19 -3,-1.5 -59,-0.4 1,-0.2 -1,-0.2 -0.363 62.2 157.2 -77.0 69.9 64.4 25.9 23.4 63 63 A V - 0 0 106 -2,-3.1 2,-0.3 1,-0.2 -1,-0.2 0.934 55.3 -70.1 -65.2 -51.9 66.1 29.2 23.8 64 64 A G - 0 0 24 -63,-0.5 2,-0.4 -3,-0.3 -1,-0.2 -0.939 37.7 -96.5 175.9 170.4 63.6 30.8 26.2 65 65 A N - 0 0 55 -2,-0.3 286,-0.1 1,-0.1 3,-0.1 -0.858 35.4-177.7-100.6 148.3 60.1 32.1 26.6 66 66 A K + 0 0 129 -2,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.809 58.9 33.5-118.2 -54.2 60.0 35.9 26.4 67 67 A I - 0 0 28 283,-0.2 177,-0.5 1,-0.1 -1,-0.3 -0.659 48.0-178.2 -96.6 163.8 56.5 37.3 26.9 68 68 A T + 0 0 121 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.512 65.0 62.7-126.4 -27.2 54.0 35.8 29.3 69 69 A E S S- 0 0 146 178,-0.0 2,-0.5 174,-0.0 -1,-0.2 -0.839 79.4-119.5-113.3 137.7 51.0 38.1 28.7 70 70 A V - 0 0 9 -2,-0.4 2,-0.1 -3,-0.1 175,-0.0 -0.575 37.0-154.3 -62.4 116.0 48.9 38.9 25.7 71 71 A D > - 0 0 46 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.279 30.7 -92.9 -90.2-174.9 49.3 42.7 25.0 72 72 A E H > S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.808 123.8 52.3 -75.1 -28.2 46.9 45.0 23.3 73 73 A Y H > S+ 0 0 74 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.856 110.4 49.5 -73.5 -36.1 48.4 44.5 19.8 74 74 A M H > S+ 0 0 1 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.945 110.7 49.7 -64.5 -49.2 48.1 40.8 20.2 75 75 A K H X S+ 0 0 83 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.883 112.3 48.5 -55.7 -38.9 44.5 41.2 21.3 76 76 A E H X S+ 0 0 104 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.954 111.3 49.3 -67.2 -53.1 43.9 43.4 18.2 77 77 A A H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.963 110.8 51.3 -43.2 -59.1 45.5 40.9 15.9 78 78 A V H X S+ 0 0 1 -4,-3.2 4,-3.3 1,-0.2 5,-0.2 0.904 110.7 48.6 -46.8 -50.1 43.4 38.2 17.5 79 79 A D H X S+ 0 0 86 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.929 114.0 44.3 -61.2 -47.7 40.3 40.2 16.9 80 80 A H H X S+ 0 0 40 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.919 117.0 45.0 -66.8 -45.1 41.0 41.0 13.3 81 81 A Y H X S+ 0 0 0 -4,-3.2 4,-1.7 -5,-0.2 -1,-0.2 0.903 111.9 52.5 -63.9 -44.4 42.1 37.5 12.5 82 82 A A H X S+ 0 0 3 -4,-3.3 4,-1.2 -5,-0.3 3,-0.3 0.927 108.7 49.4 -60.3 -44.7 39.1 35.9 14.3 83 83 A G H X S+ 0 0 48 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.781 105.8 58.7 -67.8 -28.0 36.6 38.0 12.4 84 84 A Q H >< S+ 0 0 34 -4,-1.3 3,-0.7 -5,-0.2 -1,-0.2 0.930 107.2 46.8 -59.0 -43.3 38.4 37.0 9.2 85 85 A L H >< S+ 0 0 1 -4,-1.7 3,-1.3 -3,-0.3 5,-0.3 0.678 98.9 66.7 -78.5 -19.9 37.6 33.3 10.0 86 86 A M H >< S+ 0 0 95 -4,-1.2 3,-1.6 1,-0.3 -1,-0.2 0.800 86.5 73.0 -72.6 -25.0 34.0 33.8 10.9 87 87 A S T << S+ 0 0 74 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.641 89.1 62.9 -56.3 -16.4 33.5 34.8 7.3 88 88 A L T < S- 0 0 35 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.406 98.5-130.3 -98.0 2.4 33.9 31.1 6.4 89 89 A D < - 0 0 147 -3,-1.6 2,-0.6 1,-0.2 -3,-0.1 0.960 33.6-162.3 45.7 68.2 30.9 29.6 8.3 90 90 A I - 0 0 22 -5,-0.3 -1,-0.2 -4,-0.1 2,-0.1 -0.728 20.2-119.6 -92.5 119.5 33.0 26.9 10.0 91 91 A N - 0 0 93 -2,-0.6 106,-0.1 102,-0.2 -1,-0.1 -0.335 25.5-169.0 -49.4 116.7 31.2 23.9 11.5 92 92 A T + 0 0 55 -2,-0.1 2,-0.2 101,-0.1 -1,-0.2 0.295 44.3 119.3 -99.2 10.2 32.2 24.1 15.2 93 93 A E S S- 0 0 136 1,-0.1 100,-0.4 100,-0.0 3,-0.0 -0.476 74.0-100.4 -76.2 144.5 30.8 20.6 16.0 94 94 A Q - 0 0 92 -2,-0.2 2,-0.3 98,-0.1 96,-0.2 -0.340 40.1-120.8 -51.1 141.8 32.9 17.8 17.3 95 95 A M - 0 0 13 94,-2.9 97,-0.1 93,-0.2 -1,-0.1 -0.719 33.0-104.7 -89.6 141.2 33.8 15.4 14.5 96 96 A C >> - 0 0 70 -2,-0.3 4,-2.8 1,-0.1 3,-1.1 -0.370 26.9-112.6 -70.5 147.4 32.6 11.8 15.2 97 97 A L H 3> S+ 0 0 24 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.830 117.0 54.7 -44.2 -39.0 35.2 9.2 16.2 98 98 A E H 3> S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.878 112.2 41.1 -67.3 -38.5 34.7 7.4 12.9 99 99 A D H <> S+ 0 0 47 -3,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.849 113.2 54.0 -78.8 -35.7 35.4 10.5 10.8 100 100 A A H < S+ 0 0 0 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.987 117.2 37.7 -56.5 -56.6 38.3 11.5 13.0 101 101 A M H < S+ 0 0 1 -4,-2.6 9,-2.1 1,-0.2 -2,-0.2 0.878 128.8 27.3 -61.1 -49.0 39.9 8.1 12.6 102 102 A Y H < S- 0 0 15 -4,-2.2 7,-0.4 1,-0.3 -1,-0.2 0.332 105.6-111.3-110.4 5.8 39.2 7.3 9.0 103 103 A G < - 0 0 8 -4,-1.6 -1,-0.3 5,-0.3 2,-0.3 -0.153 28.5-162.3 90.0 168.2 38.9 10.6 7.2 104 104 A T B > -G 107 0D 63 3,-2.4 3,-2.4 -4,-0.1 2,-0.5 -0.925 54.8 -33.9-171.3-178.4 36.1 12.6 5.5 105 105 A D T 3 S+ 0 0 116 -2,-0.3 95,-0.1 1,-0.3 3,-0.1 -0.363 133.6 10.4 -57.6 107.9 35.8 15.5 3.1 106 106 A G T 3 S+ 0 0 23 -2,-0.5 2,-0.4 93,-0.1 -1,-0.3 0.306 119.5 71.3 107.9 -7.4 38.8 17.7 3.8 107 107 A L B < -G 104 0D 13 -3,-2.4 -3,-2.4 92,-0.1 2,-0.1 -0.946 66.9-146.3-143.9 120.9 40.7 15.4 6.2 108 108 A E - 0 0 174 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.289 36.1 -87.7 -80.8 169.0 42.6 12.2 5.3 109 109 A A - 0 0 26 -7,-0.4 -7,-0.2 1,-0.2 -1,-0.2 -0.129 50.8 -80.6 -71.8 165.8 42.8 9.2 7.6 110 110 A L - 0 0 11 -9,-2.1 2,-0.8 -10,-0.1 -1,-0.2 -0.363 57.7-100.0 -53.8 147.9 45.3 8.6 10.3 111 111 A D > - 0 0 85 1,-0.2 3,-0.7 -3,-0.1 16,-0.1 -0.681 31.6-166.5 -81.8 113.6 48.6 7.2 8.8 112 112 A L T 3 S+ 0 0 18 -2,-0.8 16,-0.4 1,-0.3 15,-0.2 0.610 83.3 66.4 -75.2 -10.9 48.5 3.4 9.3 113 113 A S T 3 S+ 0 0 78 14,-0.1 2,-0.3 13,-0.1 -1,-0.3 -0.163 92.4 75.1-104.9 44.0 52.1 3.3 8.4 114 114 A T S < S- 0 0 66 -3,-0.7 13,-0.5 1,-0.0 -4,-0.0 -0.986 88.9 -76.2-151.7 152.8 53.4 5.3 11.4 115 115 A S - 0 0 51 -2,-0.3 11,-0.1 1,-0.1 -4,-0.1 0.030 24.4-144.1 -42.5 146.8 54.1 4.8 15.1 116 116 A A - 0 0 1 9,-0.5 65,-2.9 1,-0.2 4,-0.3 0.443 40.6-150.3 -94.1 -1.5 51.1 4.8 17.5 117 117 A G >> + 0 0 0 63,-0.2 4,-1.9 2,-0.1 3,-0.6 -0.063 47.6 38.0 65.6-167.6 53.3 6.6 20.0 118 118 A Y T 34 S- 0 0 48 35,-0.5 64,-0.3 60,-0.4 63,-0.1 -0.386 123.4 -4.1 -62.0 133.5 53.0 6.3 23.8 119 119 A P T >4 S+ 0 0 16 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.986 124.0 63.9-102.1 6.5 52.4 3.8 25.1 120 120 A Y G X4>S+ 0 0 0 -3,-0.6 5,-3.1 -4,-0.3 3,-1.6 0.798 98.2 62.4 -59.8 -27.3 51.7 1.5 22.2 121 121 A V G ><5S+ 0 0 49 -4,-1.9 3,-0.7 1,-0.3 -1,-0.3 0.792 99.4 54.2 -72.2 -23.6 55.4 1.8 21.2 122 122 A A G < 5S+ 0 0 55 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.167 113.0 43.9 -92.2 14.9 56.5 0.3 24.5 123 123 A M G < 5S- 0 0 91 -3,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.079 114.0-111.1-139.5 18.3 54.3 -2.7 23.9 124 124 A G T < 5 + 0 0 64 -3,-0.7 2,-0.4 1,-0.2 -3,-0.2 0.867 67.4 150.3 46.1 43.5 55.1 -3.3 20.2 125 125 A K < - 0 0 63 -5,-3.1 -9,-0.5 -6,-0.1 2,-0.2 -0.869 26.5-164.1-104.0 143.0 51.6 -2.2 19.3 126 126 A K >> - 0 0 135 -2,-0.4 3,-1.3 -3,-0.1 4,-0.5 -0.732 35.7-107.9-121.3 165.7 50.9 -0.6 15.9 127 127 A K H >> S+ 0 0 16 -13,-0.5 4,-3.7 1,-0.3 3,-1.4 0.846 119.0 62.1 -57.1 -34.8 48.1 1.4 14.4 128 128 A R H 34 S+ 0 0 156 -16,-0.4 -1,-0.3 1,-0.3 -16,-0.1 0.689 95.5 60.9 -69.3 -14.8 47.3 -1.6 12.3 129 129 A D H <4 S+ 0 0 97 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.741 120.3 23.7 -79.1 -19.6 46.5 -3.5 15.5 130 130 A I H << S+ 0 0 13 -3,-1.4 2,-0.3 -4,-0.5 -2,-0.2 0.762 114.0 61.5-114.8 -45.6 43.8 -1.0 16.3 131 131 A L < - 0 0 7 -4,-3.7 2,-0.4 -5,-0.1 -1,-0.1 -0.675 50.9-175.7 -98.0 148.5 42.5 0.6 13.2 132 132 A N >> - 0 0 64 5,-0.4 4,-1.5 -2,-0.3 5,-0.8 -0.925 8.0-168.4-142.0 108.7 40.9 -1.1 10.2 133 133 A K T 45S+ 0 0 108 -2,-0.4 -1,-0.1 1,-0.2 -31,-0.0 0.825 82.8 59.5 -69.3 -30.4 40.0 1.0 7.1 134 134 A Q T 45S+ 0 0 176 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.836 121.8 23.7 -79.1 -26.2 37.9 -1.5 5.3 135 135 A T T 45S- 0 0 91 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.542 92.5-141.3-103.0 -10.5 35.3 -1.9 8.1 136 136 A R T <5 - 0 0 85 -4,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.863 32.4-174.8 46.3 46.2 36.0 1.6 9.7 137 137 A D < + 0 0 56 -5,-0.8 -5,-0.4 1,-0.1 -1,-0.2 -0.459 21.5 178.2 -73.1 136.1 35.6 -0.0 13.2 138 138 A T >> + 0 0 44 -2,-0.2 4,-2.2 2,-0.1 3,-0.9 0.644 55.6 92.6-108.4 -17.8 35.6 2.3 16.2 139 139 A K H 3> S+ 0 0 146 1,-0.3 4,-2.2 2,-0.2 3,-0.2 0.870 87.7 44.4 -52.6 -53.0 35.1 -0.1 19.1 140 140 A E H 3> S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.748 113.1 53.0 -65.7 -27.0 38.7 -0.9 20.0 141 141 A M H <> S+ 0 0 1 -3,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.895 108.4 48.2 -72.2 -44.1 39.7 2.8 19.7 142 142 A Q H X S+ 0 0 99 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.921 111.9 52.0 -59.3 -41.4 37.0 4.0 22.1 143 143 A K H X S+ 0 0 137 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.923 111.8 44.4 -61.4 -47.9 38.1 1.2 24.4 144 144 A L H X>S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 5,-0.6 0.847 110.5 56.1 -65.7 -32.8 41.7 2.4 24.2 145 145 A L H X5S+ 0 0 22 -4,-2.8 4,-0.7 2,-0.2 -2,-0.2 0.848 109.9 45.8 -64.4 -35.4 40.5 6.0 24.6 146 146 A D H <5S+ 0 0 134 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.947 114.5 49.7 -67.2 -49.0 38.8 4.9 27.9 147 147 A T H <5S+ 0 0 79 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.961 127.6 14.9 -57.7 -62.3 41.8 3.0 29.0 148 148 A Y H <5S- 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.2 0.697 87.9-162.2 -91.3 -25.0 44.7 5.5 28.6 149 149 A G << - 0 0 25 -4,-0.7 -1,-0.2 -5,-0.6 2,-0.2 -0.392 31.4 -64.7 77.0-144.6 42.8 8.7 28.2 150 150 A I S S+ 0 0 60 1,-0.1 33,-0.1 -4,-0.1 32,-0.0 -0.540 95.2 66.3-133.6-174.5 44.6 11.7 26.6 151 151 A N + 0 0 75 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.891 66.4 166.4 61.3 42.7 47.4 14.1 27.2 152 152 A L - 0 0 27 -3,-0.1 28,-0.3 1,-0.1 120,-0.2 -0.474 42.8 -86.8 -84.8 151.2 50.1 11.4 27.0 153 153 A P - 0 0 15 0, 0.0 -35,-0.5 0, 0.0 2,-0.3 -0.315 39.9-125.8 -55.0 146.4 53.8 12.1 26.6 154 154 A L E -b 273 0A 9 118,-2.1 120,-2.9 -37,-0.1 2,-0.6 -0.653 18.5-127.2 -87.1 146.4 55.2 12.6 23.1 155 155 A V E -bC 274 178A 1 23,-1.8 23,-3.9 -2,-0.3 2,-0.4 -0.880 20.8-139.2 -98.3 123.1 58.2 10.5 22.0 156 156 A T E + C 0 177A 4 118,-4.2 120,-0.5 -2,-0.6 2,-0.3 -0.629 26.7 169.5 -83.3 131.9 61.2 12.4 20.6 157 157 A Y E - C 0 176A 50 19,-2.6 19,-3.2 -2,-0.4 2,-0.5 -0.896 35.3-114.3-128.4 163.0 63.1 11.1 17.5 158 158 A V E - C 0 175A 23 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.863 36.7-116.3 -96.0 131.0 65.8 12.6 15.3 159 159 A K - 0 0 82 15,-3.5 2,-1.2 -2,-0.5 15,-0.4 -0.543 21.9-138.6 -68.3 117.8 64.6 13.2 11.7 160 160 A D + 0 0 37 -2,-0.5 2,-0.3 13,-0.1 -1,-0.1 -0.646 54.8 121.1 -79.5 99.9 66.6 11.0 9.4 161 161 A E - 0 0 33 -2,-1.2 -120,-1.7 -122,-0.1 -122,-0.1 -0.943 65.7 -73.9-156.5 165.1 67.2 13.3 6.4 162 162 A L E -F 40 0C 34 -2,-0.3 2,-0.3 -122,-0.2 -124,-0.0 -0.288 51.3-176.4 -66.5 153.9 69.8 15.1 4.2 163 163 A R E -F 39 0C 36 -124,-2.1 -124,-2.4 -122,-0.1 5,-0.1 -0.998 29.0 -93.7-153.8 151.3 71.6 18.0 5.8 164 164 A S >> - 0 0 24 -2,-0.3 4,-2.1 -126,-0.2 3,-0.6 -0.317 35.8-119.9 -62.1 147.6 74.2 20.8 5.1 165 165 A K H >> S+ 0 0 101 -128,-0.3 4,-2.3 1,-0.3 3,-0.5 0.949 115.2 55.2 -50.6 -58.1 77.8 20.1 5.9 166 166 A T H 3> S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.803 111.2 45.8 -38.0 -41.9 77.8 23.1 8.3 167 167 A K H <4>S+ 0 0 78 -3,-0.6 5,-1.3 2,-0.2 4,-0.4 0.762 106.3 54.6 -88.0 -30.5 74.9 21.5 10.2 168 168 A V H <<5S+ 0 0 3 -4,-2.1 3,-0.3 -3,-0.5 -117,-0.2 0.885 113.8 46.5 -64.3 -36.6 76.2 17.9 10.3 169 169 A E H <5S+ 0 0 36 -4,-2.3 -118,-2.3 -5,-0.2 -117,-0.9 0.955 114.4 43.8 -69.3 -52.0 79.2 19.5 12.0 170 170 A Q T <5S- 0 0 63 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.446 110.1-123.5 -76.6 0.8 77.3 21.7 14.4 171 171 A G T 5 + 0 0 0 -4,-0.4 2,-3.0 -3,-0.3 -3,-0.2 0.631 52.7 159.6 68.7 15.8 75.0 18.8 15.1 172 172 A K < + 0 0 111 -5,-1.3 -1,-0.2 -6,-0.2 2,-0.2 -0.363 13.9 160.6 -72.3 66.6 71.9 20.7 14.1 173 173 A S - 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0 0 17 -3,-2.2 4,-2.0 1,-0.1 5,-0.2 -0.040 33.7 -70.7 100.6 159.7 9.7 -18.0 -10.1 889 426 E E H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.770 124.6 54.0 -58.9 -35.4 11.9 -19.1 -7.2 890 427 E E H > S+ 0 0 149 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.965 113.6 40.4 -66.7 -50.0 10.5 -22.7 -6.9 891 428 E E H > S+ 0 0 64 -4,-0.4 4,-1.4 1,-0.2 -2,-0.2 0.830 116.8 50.8 -68.6 -28.3 11.1 -23.5 -10.6 892 429 E Y H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.848 106.2 51.5 -83.1 -35.7 14.5 -21.8 -10.6 893 430 E N H X S+ 0 0 63 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.839 112.1 49.0 -67.0 -30.4 16.0 -23.4 -7.5 894 431 E K H X S+ 0 0 100 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.813 108.3 53.3 -77.0 -35.1 15.0 -26.8 -9.0 895 432 E F H X S+ 0 0 2 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.957 109.7 48.2 -57.5 -56.4 16.6 -25.8 -12.3 896 433 E L H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.853 110.3 53.9 -55.7 -31.8 19.8 -25.0 -10.4 897 434 E A H X S+ 0 0 59 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.959 108.3 47.0 -68.5 -49.1 19.4 -28.4 -8.6 898 435 E K H >< S+ 0 0 85 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.931 112.8 50.9 -56.6 -46.3 19.2 -30.4 -11.9 899 436 E I H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.3 6,-0.6 0.949 110.2 48.4 -53.8 -53.3 22.2 -28.5 -13.2 900 437 E R H 3< S+ 0 0 87 -4,-2.2 -1,-0.3 5,-0.3 6,-0.2 0.538 85.8 87.8 -72.9 -5.4 24.3 -29.2 -10.1 901 438 E S T << S+ 0 0 72 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.508 87.9 62.1 -69.1 -2.8 23.4 -32.9 -10.2 902 439 E V S <> S- 0 0 26 -3,-1.4 4,-1.3 -4,-0.1 3,-0.4 -0.986 94.3-118.7-125.5 141.3 26.4 -33.2 -12.5 903 440 E P T 4 S+ 0 0 96 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.720 115.2 54.2 -48.8 -27.5 30.0 -32.4 -11.5 904 441 E I T >> S+ 0 0 66 2,-0.2 3,-2.4 1,-0.2 4,-1.0 0.971 102.1 57.7 -72.1 -55.0 30.2 -29.7 -14.2 905 442 E G G >4 S+ 0 0 0 -6,-0.6 3,-0.8 -3,-0.4 -5,-0.3 0.837 106.9 48.4 -34.0 -48.5 27.0 -28.0 -12.8 906 443 E R G 3< S+ 0 0 152 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.641 104.1 61.7 -75.9 -13.9 28.7 -27.6 -9.4 907 444 E A G <4 S+ 0 0 75 -3,-2.4 -1,-0.2 -4,-0.4 -2,-0.2 0.754 90.9 91.9 -79.0 -23.3 31.8 -26.2 -11.1 908 445 E L S << S- 0 0 22 -4,-1.0 2,-0.9 -3,-0.8 -34,-0.0 -0.253 76.1-127.7 -78.0 153.6 29.8 -23.2 -12.5 909 446 E D + 0 0 102 -2,-0.0 -1,-0.1 2,-0.0 -3,-0.1 -0.859 40.2 173.7 -97.3 98.9 29.2 -19.8 -11.0 910 447 E L - 0 0 10 -2,-0.9 2,-0.1 -5,-0.1 -32,-0.0 -0.872 29.3-116.7-110.0 140.0 25.4 -19.4 -11.1 911 448 E P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.427 25.5-121.0 -76.9 145.4 23.4 -16.6 -9.6 912 449 E E >> - 0 0 79 -2,-0.1 4,-2.0 1,-0.1 3,-1.2 -0.541 22.8-115.5 -84.5 151.0 20.9 -17.1 -6.8 913 450 E Y H 3> S+ 0 0 27 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.845 117.2 57.1 -53.6 -39.5 17.2 -16.1 -7.3 914 451 E S H 3> S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.872 107.7 48.0 -52.3 -42.2 17.6 -13.5 -4.6 915 452 E T H <> S+ 0 0 78 -3,-1.2 4,-1.1 2,-0.2 -2,-0.2 0.878 112.3 46.9 -76.9 -36.8 20.4 -11.9 -6.6 916 453 E L H X S+ 0 0 4 -4,-2.0 4,-3.0 2,-0.2 3,-0.4 0.955 113.8 47.2 -68.6 -51.9 18.5 -11.9 -9.9 917 454 E Y H X S+ 0 0 32 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.939 112.8 49.9 -52.4 -48.5 15.3 -10.4 -8.4 918 455 E R H X S+ 0 0 145 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.784 114.4 44.9 -64.3 -27.8 17.2 -7.8 -6.6 919 456 E R H X S+ 0 0 97 -4,-1.1 4,-2.1 -3,-0.4 -1,-0.2 0.837 109.5 54.7 -88.7 -35.8 19.1 -6.9 -9.7 920 457 E W H < S+ 0 0 0 -4,-3.0 4,-0.4 2,-0.2 -2,-0.2 0.957 113.1 42.3 -57.4 -53.7 15.9 -6.9 -11.9 921 458 E L H >< S+ 0 0 24 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.949 114.1 51.3 -57.5 -53.5 14.1 -4.4 -9.6 922 459 E D H >< S+ 0 0 96 -4,-1.6 3,-1.6 1,-0.3 -1,-0.2 0.844 99.0 66.2 -56.0 -34.2 17.3 -2.2 -9.2 923 460 E S T 3< S+ 0 0 57 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.663 85.0 76.0 -60.7 -18.2 17.6 -2.1 -13.0 924 461 E F T < 0 0 74 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.1 0.345 360.0 360.0 -79.5 4.8 14.4 -0.1 -13.1 925 462 E G < 0 0 114 -3,-1.6 -2,-0.2 -4,-0.0 -3,-0.1 0.324 360.0 360.0-178.2 360.0 16.1 3.1 -12.0