==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-10 3LE7 . COMPND 2 MOLECULE: RIBOSOME-INACTIVATING PROTEIN PD-L1/PD-L2; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYTOLACCA DIOICA; . AUTHOR A.RUGGIERO,R.BERISIO . 522 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 2 0.4 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 . 54 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 1 0 2 0 2 1 3 0 0 1 2 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 0 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 0 PARALLEL BRIDGES PER LADDER . 4 2 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 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 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 4 A I 0 0 72 0, 0.0 2,-0.4 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 147.6 16.6 7.9 63.0 2 5 A N E -a 50 0A 87 47,-0.6 49,-3.8 24,-0.1 2,-0.6 -0.908 360.0-142.8-120.7 153.4 20.0 7.6 64.4 3 6 A T E -a 51 0A 63 -2,-0.4 2,-0.6 47,-0.2 49,-0.2 -0.955 6.0-163.4-115.2 118.0 21.4 8.4 67.7 4 7 A I E -a 52 0A 13 47,-3.1 49,-3.2 -2,-0.6 2,-0.5 -0.890 21.3-154.7 -91.9 130.8 24.8 9.7 67.9 5 8 A T E -a 53 0A 91 -2,-0.6 2,-0.4 47,-0.2 49,-0.2 -0.881 16.4-179.4-109.2 144.7 25.6 9.3 71.4 6 9 A Y E -a 54 0A 7 47,-4.1 49,-2.7 -2,-0.5 2,-1.1 -0.946 19.8-151.7-142.9 124.7 28.1 11.4 72.9 7 10 A D E > +a 55 0A 39 -2,-0.4 3,-0.6 47,-0.3 49,-0.2 -0.820 16.5 177.1 -93.8 104.6 29.0 11.1 76.4 8 11 A A T 3 S+ 0 0 1 47,-3.1 137,-0.4 -2,-1.1 3,-0.3 0.673 75.3 66.1 -75.5 -13.4 30.1 14.6 77.2 9 12 A G T 3 S+ 0 0 35 46,-1.0 2,-0.3 1,-0.4 -1,-0.2 0.703 116.2 19.7 -86.8 -18.9 30.6 13.5 80.7 10 13 A N S < S+ 0 0 97 -3,-0.6 -1,-0.4 45,-0.2 2,-0.3 -0.802 97.7 113.1-153.7 98.2 33.4 11.2 79.9 11 14 A T - 0 0 23 -2,-0.3 2,-0.3 -3,-0.3 -3,-0.1 -0.901 46.5-131.5-159.8-177.6 34.9 11.9 76.8 12 15 A T > - 0 0 32 -2,-0.3 4,-3.4 1,-0.1 5,-0.2 -0.957 36.8-104.1-148.4 157.0 37.8 13.0 74.9 13 16 A I H > S+ 0 0 6 -2,-0.3 4,-4.1 1,-0.3 5,-0.3 0.923 124.7 51.5 -44.4 -51.8 38.5 15.3 72.1 14 17 A N H > S+ 0 0 38 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.902 109.6 47.7 -64.3 -33.3 38.8 12.3 70.0 15 18 A K H > S+ 0 0 104 -3,-0.2 4,-3.5 2,-0.2 -1,-0.3 0.905 113.6 48.7 -71.8 -36.5 35.5 11.0 71.1 16 19 A Y H X S+ 0 0 0 -4,-3.4 4,-3.5 2,-0.2 -2,-0.2 0.924 110.3 50.6 -66.0 -43.2 34.1 14.3 70.5 17 20 A A H X S+ 0 0 12 -4,-4.1 4,-3.5 -5,-0.2 -2,-0.2 0.937 113.3 46.6 -56.2 -44.6 35.7 14.4 67.2 18 21 A T H X S+ 0 0 70 -4,-2.8 4,-3.8 -5,-0.3 5,-0.2 0.931 111.9 50.2 -66.8 -40.0 34.1 11.1 66.6 19 22 A F H X S+ 0 0 4 -4,-3.5 4,-3.7 2,-0.2 -1,-0.3 0.914 111.8 48.7 -60.7 -41.8 30.9 12.3 67.9 20 23 A M H X S+ 0 0 0 -4,-3.5 4,-3.6 1,-0.2 5,-0.3 0.953 113.3 45.9 -64.6 -47.0 31.2 15.2 65.6 21 24 A E H X S+ 0 0 100 -4,-3.5 4,-3.6 2,-0.2 5,-0.2 0.908 115.2 47.4 -63.9 -41.3 32.0 13.1 62.7 22 25 A S H X S+ 0 0 44 -4,-3.8 4,-3.5 -5,-0.2 5,-0.3 0.967 113.6 48.1 -63.1 -43.4 29.2 10.8 63.6 23 26 A L H X S+ 0 0 0 -4,-3.7 4,-3.5 1,-0.3 5,-0.2 0.924 115.9 43.2 -63.0 -45.2 27.0 13.6 64.0 24 27 A R H X S+ 0 0 9 -4,-3.6 4,-3.6 2,-0.2 -1,-0.3 0.892 115.1 50.3 -65.0 -43.1 28.0 15.1 60.8 25 28 A N H < S+ 0 0 91 -4,-3.6 -2,-0.2 -5,-0.3 -1,-0.2 0.867 116.9 40.6 -64.5 -34.8 27.9 11.8 59.2 26 29 A E H < S+ 0 0 29 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.878 121.3 42.5 -80.3 -34.4 24.5 11.2 60.5 27 30 A A H < S+ 0 0 0 -4,-3.5 -2,-0.2 -5,-0.3 -3,-0.2 0.896 97.6 87.4 -78.1 -41.5 23.3 14.6 59.9 28 31 A K S < S- 0 0 52 -4,-3.6 12,-0.3 -5,-0.2 41,-0.1 -0.206 88.4-110.0 -62.8 146.9 24.8 15.1 56.5 29 32 A D > - 0 0 21 10,-3.4 3,-0.6 1,-0.2 10,-0.5 -0.660 30.5-132.5 -62.8 129.9 23.0 14.1 53.6 30 33 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.812 104.2 34.2 -60.1 -24.1 25.1 11.2 52.5 31 34 A S T 3 S+ 0 0 85 8,-0.1 2,-0.5 7,-0.0 -2,-0.0 0.520 100.9 89.3-108.1 -13.3 25.2 12.6 49.0 32 35 A L < + 0 0 41 -3,-0.6 7,-2.4 7,-0.4 2,-0.3 -0.762 44.1 135.5 -98.7 137.2 25.2 16.2 49.6 33 36 A Q E -F 38 0B 59 -2,-0.5 2,-0.5 5,-0.3 225,-0.2 -0.914 34.4-154.2-171.0 138.4 28.3 18.0 50.0 34 37 A a E > S-F 37 0B 0 3,-3.0 3,-2.2 -2,-0.3 226,-0.3 -0.998 85.8 -8.2-124.6 126.5 29.6 21.1 48.7 35 38 A Y T 3 S- 0 0 4 224,-4.4 226,-0.3 -2,-0.5 225,-0.2 0.866 130.5 -56.3 58.2 40.6 33.3 21.5 48.3 36 39 A G T 3 S+ 0 0 24 224,-3.6 -1,-0.3 1,-0.3 225,-0.2 0.550 112.2 124.3 72.1 6.6 33.7 18.3 50.2 37 40 A I E < -F 34 0B 3 -3,-2.2 -3,-3.0 223,-0.2 -1,-0.3 -0.899 66.1-125.0 -98.7 121.8 31.8 19.7 53.0 38 41 A P E -F 33 0B 17 0, 0.0 213,-3.2 0, 0.0 2,-0.4 -0.320 26.5-147.3 -63.6 148.7 29.0 17.4 53.7 39 42 A M B -g 251 0C 1 -7,-2.4 -10,-3.4 -10,-0.5 -7,-0.4 -0.941 17.3-105.8-122.6 147.1 25.8 19.2 53.6 40 43 A L - 0 0 0 211,-3.8 214,-0.3 -2,-0.4 -12,-0.2 -0.292 42.4-108.3 -65.6 150.3 22.8 18.5 55.6 41 44 A P - 0 0 0 0, 0.0 212,-0.3 0, 0.0 -1,-0.1 -0.226 39.1 -95.6 -73.7 168.9 20.1 16.9 53.7 42 45 A N > - 0 0 49 1,-0.1 3,-0.9 -3,-0.1 26,-0.1 -0.109 47.0 -92.2 -64.4-178.7 17.0 18.9 52.9 43 46 A N T 3 S+ 0 0 99 1,-0.2 -1,-0.1 26,-0.1 5,-0.1 0.070 120.4 70.1 -87.2 27.2 14.1 18.6 55.2 44 47 A S T 3 + 0 0 86 3,-0.1 -1,-0.2 4,-0.0 4,-0.1 0.097 66.3 132.7-127.2 15.7 12.7 15.7 53.0 45 48 A S < - 0 0 19 -3,-0.9 3,-0.1 1,-0.1 24,-0.1 -0.359 69.0-119.3 -66.5 151.0 15.3 13.2 54.0 46 49 A T S S+ 0 0 137 1,-0.2 2,-0.8 2,-0.1 -1,-0.1 0.950 115.0 42.2 -48.5 -51.3 14.0 9.8 54.9 47 50 A I S S+ 0 0 54 1,-0.2 -1,-0.2 -20,-0.0 -2,-0.1 -0.891 73.4 175.9-102.8 107.0 15.6 10.4 58.3 48 51 A K + 0 0 55 -2,-0.8 20,-4.3 20,-0.1 21,-0.7 0.752 60.8 37.3 -83.8 -23.5 14.8 14.0 59.1 49 52 A Y E - B 0 67A 11 18,-0.3 -47,-0.6 19,-0.2 2,-0.4 -0.684 57.8-157.5-131.2 174.4 16.3 13.9 62.4 50 53 A L E -aB 2 66A 0 16,-2.7 16,-3.8 -2,-0.2 2,-0.5 -0.972 18.5-132.7-153.1 149.2 19.0 12.6 64.4 51 54 A L E -aB 3 65A 8 -49,-3.8 -47,-3.1 -2,-0.4 2,-0.6 -0.910 8.6-161.3-107.4 142.3 19.3 12.1 67.9 52 55 A V E -aB 4 64A 0 12,-5.6 12,-5.0 -2,-0.5 2,-0.9 -0.955 7.9-162.4-121.7 113.5 22.1 13.2 69.8 53 56 A K E -aB 5 63A 92 -49,-3.2 -47,-4.1 -2,-0.6 2,-0.5 -0.839 12.4-170.9-100.0 111.5 22.2 11.4 73.0 54 57 A L E -aB 6 62A 0 8,-4.9 8,-3.3 -2,-0.9 2,-0.5 -0.852 8.9-161.1-102.3 136.8 24.4 13.3 75.1 55 58 A Q E +aB 7 61A 50 -49,-2.7 -47,-3.1 -2,-0.5 -46,-1.0 -0.951 24.7 153.7-116.0 143.7 25.4 12.0 78.3 56 59 A G > + 0 0 0 4,-4.2 3,-1.9 -2,-0.5 90,-0.2 -0.313 43.0 10.8-139.2-137.9 26.7 14.3 80.7 57 60 A A G > S+ 0 0 26 88,-3.3 3,-2.4 1,-0.3 -1,-0.4 -0.126 130.5 4.5 -60.2 137.8 27.0 14.8 84.3 58 61 A S G 3 S- 0 0 92 1,-0.3 -1,-0.3 -49,-0.1 3,-0.1 0.797 125.8 -74.0 61.4 27.1 26.2 11.8 86.3 59 62 A Q G < S+ 0 0 118 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.658 90.5 154.8 62.5 18.9 25.8 9.9 83.1 60 63 A K < - 0 0 41 -3,-2.4 -4,-4.2 -4,-0.2 2,-0.4 -0.450 30.6-146.1 -77.7 150.8 22.6 11.7 82.7 61 64 A T E -B 55 0A 14 -6,-0.3 2,-0.4 18,-0.1 -6,-0.3 -0.859 20.9-170.8-122.8 156.5 21.6 12.0 79.2 62 65 A I E -B 54 0A 0 -8,-3.3 -8,-4.9 -2,-0.4 2,-0.6 -0.988 17.2-147.0-139.9 136.4 19.9 14.4 77.1 63 66 A T E -BC 53 77A 11 14,-3.7 14,-3.0 -2,-0.4 2,-0.5 -0.939 9.7-157.1-108.2 124.9 19.0 13.4 73.8 64 67 A L E -BC 52 76A 0 -12,-5.0 -12,-5.6 -2,-0.6 2,-0.7 -0.835 5.5-150.0 -93.2 137.3 19.1 16.2 71.4 65 68 A M E -BC 51 75A 0 10,-3.0 9,-4.4 -2,-0.5 10,-1.2 -0.980 17.6-166.8-108.6 124.0 17.0 15.7 68.5 66 69 A L E -BC 50 73A 0 -16,-3.8 -16,-2.7 -2,-0.7 2,-0.4 -0.922 23.8-127.1-111.7 135.4 18.6 17.4 65.7 67 70 A R E > -B 49 0A 24 5,-3.2 4,-1.7 -2,-0.5 3,-0.4 -0.677 20.1-146.4 -72.0 128.1 16.9 18.1 62.5 68 71 A R T 4 S+ 0 0 10 -20,-4.3 -19,-0.2 -2,-0.4 -1,-0.2 0.834 91.4 68.4 -69.5 -29.7 19.3 16.7 60.1 69 72 A N T 4 S- 0 0 21 -21,-0.7 184,-1.5 1,-0.2 -1,-0.2 0.847 128.6 -0.4 -63.0 -34.9 18.5 19.3 57.6 70 73 A N T 4 S- 0 0 26 -3,-0.4 -1,-0.2 182,-0.2 -2,-0.2 0.246 95.3-119.5-140.1 9.0 20.0 22.1 59.6 71 74 A L < + 0 0 0 -4,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.677 55.0 164.4 60.1 21.1 21.2 20.2 62.5 72 75 A Y - 0 0 71 -5,-0.4 -5,-3.2 1,-0.1 2,-0.7 -0.495 45.2-122.7 -66.5 136.0 19.0 22.2 64.7 73 76 A V E -C 66 0A 2 -7,-0.3 -7,-0.3 -2,-0.2 3,-0.1 -0.719 26.5-168.8 -73.5 120.3 18.4 20.8 68.0 74 77 A M E - 0 0 0 -9,-4.4 15,-2.2 -2,-0.7 2,-0.3 0.702 59.7 -62.6 -90.9 -18.5 14.7 20.6 67.9 75 78 A G E -CD 65 88A 0 -10,-1.2 -10,-3.0 13,-0.3 -1,-0.5 -0.967 56.4-117.5 162.7-163.2 14.6 19.9 71.4 76 79 A Y E -CD 64 87A 0 11,-3.6 11,-4.0 -2,-0.3 2,-0.4 -0.968 8.0-140.0-155.7 164.8 15.9 17.3 73.6 77 80 A S E -CD 63 86A 5 -14,-3.0 -14,-3.7 -2,-0.3 9,-0.3 -0.922 11.5-169.3-127.3 158.8 14.7 14.7 75.8 78 81 A D E - D 0 85A 0 7,-2.2 7,-3.3 -2,-0.4 2,-0.4 -0.985 37.2-103.9-141.2 146.6 16.1 13.7 79.0 79 82 A P E + D 0 84A 65 0, 0.0 74,-0.4 0, 0.0 2,-0.4 -0.596 51.3 173.6 -66.1 123.3 15.2 10.7 80.9 80 83 A F E > - D 0 83A 11 3,-3.7 3,-1.8 -2,-0.4 -2,-0.1 -0.898 62.3 -20.2-141.8 113.9 13.2 12.2 83.6 81 84 A N T 3 S- 0 0 111 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.896 125.1 -53.5 58.3 42.9 11.3 10.2 86.1 82 85 A G T 3 S+ 0 0 67 1,-0.3 28,-0.4 3,-0.0 2,-0.3 0.471 121.3 112.8 74.4 2.5 11.4 7.2 83.9 83 86 A N E < S-D 80 0A 43 -3,-1.8 -3,-3.7 26,-0.1 2,-1.1 -0.748 79.1-119.0-103.7 150.9 9.9 9.4 81.3 84 87 A b E -De 79 111A 7 26,-3.5 28,-2.9 -2,-0.3 2,-0.9 -0.804 36.6-157.0 -79.0 108.9 11.3 10.6 78.1 85 88 A R E -De 78 112A 2 -7,-3.3 -7,-2.2 -2,-1.1 2,-0.5 -0.803 10.3-164.2 -93.0 112.2 11.1 14.1 79.0 86 89 A Y E -De 77 113A 27 26,-2.6 28,-3.6 -2,-0.9 2,-0.5 -0.847 11.5-169.5-109.0 141.0 11.1 15.9 75.8 87 90 A H E -D 76 0A 0 -11,-4.0 -11,-3.6 -2,-0.5 2,-0.5 -0.986 10.7-177.4-130.3 114.6 11.7 19.4 75.6 88 91 A I E -D 75 0A 0 -2,-0.5 28,-3.2 -13,-0.3 -13,-0.3 -0.919 34.0-106.8-121.7 140.2 11.0 20.9 72.4 89 92 A F B > -h 116 0D 0 -15,-2.2 3,-2.2 -2,-0.5 30,-0.2 -0.433 31.6-121.5 -59.4 142.3 11.6 24.3 71.4 90 93 A N T 3 S+ 0 0 83 28,-1.0 29,-0.2 26,-0.9 -1,-0.2 0.461 111.5 63.2 -72.3 2.8 8.3 26.0 71.2 91 94 A D T 3 S+ 0 0 66 27,-0.3 2,-0.8 -17,-0.1 -1,-0.3 0.268 75.5 91.3-112.9 8.6 9.0 26.8 67.5 92 95 A I S < S+ 0 0 4 -3,-2.2 -4,-0.1 1,-0.2 -18,-0.0 -0.967 71.7 177.5 -90.8 116.0 9.1 23.2 66.8 93 96 A T - 0 0 117 -2,-0.8 -1,-0.2 4,-0.0 -5,-0.0 0.843 34.9 -22.4-106.6 -46.2 5.4 23.6 66.1 94 97 A G S > S+ 0 0 31 -3,-0.1 4,-2.2 0, 0.0 5,-0.2 0.179 119.1 8.0-138.5-105.0 3.3 20.7 64.9 95 98 A T H > S+ 0 0 109 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.881 130.3 49.2 -64.1 -40.4 4.2 17.6 63.2 96 99 A E H > S+ 0 0 41 2,-0.2 4,-5.1 1,-0.2 -1,-0.2 0.976 110.9 53.2 -55.7 -53.5 8.0 18.0 63.6 97 100 A R H > S+ 0 0 49 2,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.831 112.0 44.3 -51.2 -35.9 7.2 18.8 67.3 98 101 A T H X S+ 0 0 62 -4,-2.2 4,-4.6 2,-0.2 -1,-0.2 0.940 116.1 46.7 -73.6 -42.6 5.3 15.5 67.4 99 102 A N H X S+ 0 0 50 -4,-3.7 4,-4.6 2,-0.2 5,-0.3 0.911 113.6 49.3 -63.4 -38.0 8.1 13.8 65.5 100 103 A V H X S+ 0 0 0 -4,-5.1 4,-3.8 2,-0.2 5,-0.4 0.974 115.1 43.2 -66.0 -50.6 10.6 15.5 67.8 101 104 A E H X S+ 0 0 40 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.985 121.0 42.5 -53.5 -57.1 8.6 14.4 70.8 102 105 A N H < S+ 0 0 60 -4,-4.6 -2,-0.2 2,-0.2 -1,-0.2 0.895 117.0 45.9 -58.5 -40.2 8.2 11.0 69.2 103 106 A T H >< S+ 0 0 19 -4,-4.6 3,-1.3 -5,-0.2 4,-0.3 0.960 114.9 47.1 -69.6 -50.8 11.7 10.8 68.0 104 107 A L H 3< S+ 0 0 11 -4,-3.8 3,-0.3 -5,-0.3 -2,-0.2 0.922 126.7 30.7 -52.3 -39.2 13.1 11.9 71.3 105 108 A b T >< S+ 0 0 0 -4,-2.9 3,-0.8 -5,-0.4 -1,-0.3 0.025 81.4 120.4-118.6 28.7 10.9 9.5 73.0 106 109 A S T < S+ 0 0 72 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.890 85.6 33.1 -63.5 -47.6 10.6 6.7 70.6 107 110 A S T 3 S+ 0 0 126 -4,-0.3 2,-0.5 -3,-0.3 -1,-0.3 0.178 101.7 94.2-102.7 18.8 12.0 3.9 72.8 108 111 A S < - 0 0 34 -3,-0.8 -25,-0.1 -6,-0.2 3,-0.0 -0.932 61.9-158.1-103.7 132.9 10.6 5.5 75.9 109 112 A S S S+ 0 0 125 -2,-0.5 2,-0.4 -27,-0.2 -1,-0.1 0.755 82.1 46.5 -75.9 -30.4 7.3 4.1 76.9 110 113 A S + 0 0 32 -28,-0.4 -26,-3.5 -3,-0.1 2,-0.4 -0.926 66.8 175.4-121.4 147.3 6.7 7.2 78.9 111 114 A R E -e 84 0A 78 -2,-0.4 2,-0.3 -28,-0.3 -26,-0.2 -0.953 9.6-171.1-140.2 151.6 7.2 10.7 77.9 112 115 A D E -e 85 0A 43 -28,-2.9 -26,-2.6 -2,-0.4 2,-0.4 -0.975 24.1-124.6-145.6 142.7 6.6 13.9 79.5 113 116 A A E +e 86 0A 45 -2,-0.3 -26,-0.2 -28,-0.2 -28,-0.1 -0.666 27.3 171.1 -81.9 131.7 6.9 17.2 77.9 114 117 A K - 0 0 54 -28,-3.6 -2,-0.0 -2,-0.4 3,-0.0 -0.745 33.4-150.1-126.7 90.7 9.0 19.7 79.4 115 118 A P - 0 0 42 0, 0.0 2,-1.1 0, 0.0 -26,-0.2 -0.119 20.2-114.6 -54.5 151.3 8.8 22.1 76.6 116 119 A I B -h 89 0D 0 -28,-3.2 2,-2.8 2,-0.1 -26,-0.9 -0.886 30.4-144.6 -82.6 108.1 11.6 24.4 75.9 117 120 A N S S+ 0 0 90 -2,-1.1 2,-0.3 -28,-0.1 -28,-0.1 -0.273 75.9 46.3 -73.3 46.7 9.5 27.4 76.7 118 121 A Y S S- 0 0 3 -2,-2.8 -28,-1.0 -30,-0.3 -27,-0.3 -0.913 89.1 -97.0 179.6 155.5 11.4 29.2 74.0 119 122 A N - 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0 0 21 -5,-3.3 -1,-0.3 1,-0.1 3,-0.2 -0.962 66.3-131.9-125.8 151.9 23.5 35.9 78.7 132 135 A N S S- 0 0 140 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.859 92.8 -7.9 -63.4 -35.2 24.1 38.7 76.4 133 136 A S > - 0 0 21 -7,-0.2 3,-2.4 -3,-0.1 -1,-0.3 -0.984 67.3-113.4-160.3 152.4 25.5 36.3 74.0 134 137 A R G > S+ 0 0 4 -2,-0.3 3,-1.5 1,-0.3 -1,-0.0 0.635 108.6 83.9 -72.0 -7.2 26.4 32.8 74.1 135 138 A S G 3 S+ 0 0 35 1,-0.3 -1,-0.3 60,-0.1 4,-0.1 0.875 94.4 48.9 -51.9 -29.1 29.8 34.2 73.7 136 139 A Q G < S+ 0 0 103 -3,-2.4 2,-0.9 59,-0.1 -1,-0.3 0.550 92.2 85.6 -93.4 -8.2 29.4 34.4 77.3 137 140 A V S < S- 0 0 9 -3,-1.5 -1,-0.1 -4,-0.2 57,-0.0 -0.858 81.8-135.3 -97.5 111.4 28.2 30.9 77.7 138 141 A Q - 0 0 63 -2,-0.9 2,-0.3 57,-0.2 57,-0.3 -0.315 16.4-152.3 -68.3 147.0 31.2 28.9 78.0 139 142 A L B +I 194 0E 0 55,-4.6 55,-3.6 -4,-0.1 2,-0.3 -0.728 32.4 129.5-111.1 167.6 31.2 25.8 76.1 140 143 A G > - 0 0 0 -2,-0.3 4,-3.1 53,-0.3 5,-0.2 -0.767 64.3-102.8 155.2 157.2 33.1 22.9 76.9 141 144 A I H > S+ 0 0 2 49,-0.5 4,-4.1 51,-0.3 5,-0.2 0.928 122.7 48.8 -69.3 -44.7 32.5 19.3 77.3 142 145 A Q H > S+ 0 0 74 48,-0.3 4,-4.4 2,-0.2 5,-0.3 0.930 112.6 49.0 -63.2 -40.4 32.4 19.5 80.9 143 146 A I H > S+ 0 0 23 2,-0.2 4,-4.3 1,-0.2 -2,-0.2 0.938 114.1 45.6 -64.3 -43.1 30.0 22.3 80.7 144 147 A L H X S+ 0 0 0 -4,-3.1 4,-4.1 2,-0.2 5,-0.2 0.952 115.6 46.9 -62.6 -48.6 28.0 20.4 78.3 145 148 A S H X S+ 0 0 8 -4,-4.1 -88,-3.3 -137,-0.4 4,-2.5 0.962 116.8 43.4 -57.4 -49.5 28.2 17.4 80.5 146 149 A S H X S+ 0 0 56 -4,-4.4 4,-1.6 -5,-0.2 -1,-0.2 0.922 113.9 51.3 -64.5 -40.1 27.4 19.4 83.4 147 150 A D H >X S+ 0 0 2 -4,-4.3 4,-1.1 -5,-0.3 3,-0.7 0.940 107.0 52.4 -64.0 -42.8 24.7 21.2 81.6 148 151 A I H >X S+ 0 0 0 -4,-4.1 4,-4.5 1,-0.3 3,-1.1 0.931 109.5 51.7 -52.8 -40.6 23.3 17.9 80.6 149 152 A G H 3< S+ 0 0 7 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.3 0.770 106.1 53.8 -66.2 -30.5 23.5 17.2 84.2 150 153 A K H << S+ 0 0 96 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.601 124.0 26.1 -80.1 -17.7 21.6 20.3 85.1 151 154 A I H X< S+ 0 0 0 -4,-1.1 3,-2.0 -3,-1.1 -2,-0.2 0.775 97.8 88.2-110.0 -50.8 18.9 19.4 82.8 152 155 A S T 3< S- 0 0 1 -4,-4.5 -72,-0.1 1,-0.3 3,-0.1 -0.300 112.4 -7.2 -62.4 130.0 18.8 15.7 82.4 153 156 A G T 3 S+ 0 0 29 -74,-0.4 2,-0.7 1,-0.2 -1,-0.3 0.452 98.0 137.7 73.9 -2.9 16.6 14.1 84.9 154 157 A Q < - 0 0 75 -3,-2.0 -1,-0.2 1,-0.2 3,-0.1 -0.697 48.2-153.6 -85.6 118.5 16.3 17.4 86.6 155 158 A S S S+ 0 0 69 -2,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.859 82.9 21.5 -58.7 -36.6 12.7 17.9 87.7 156 159 A S + 0 0 90 -3,-0.1 2,-0.3 -6,-0.1 -1,-0.2 -0.985 65.1 155.4-134.3 139.7 13.2 21.5 87.5 157 160 A F - 0 0 17 -2,-0.4 -6,-0.1 -3,-0.1 2,-0.1 -0.937 41.4-110.6-153.5 151.8 15.7 23.6 85.8 158 161 A T > - 0 0 79 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.330 26.0-115.4 -77.6 158.7 15.3 27.0 84.8 159 162 A D H > S+ 0 0 47 2,-0.2 4,-5.1 1,-0.2 5,-0.3 0.881 119.6 60.1 -53.9 -36.6 15.0 28.0 81.2 160 163 A K H > S+ 0 0 60 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.939 107.0 42.7 -56.0 -50.9 18.3 29.7 81.9 161 164 A T H > S+ 0 0 35 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.939 119.9 44.2 -65.1 -42.6 19.9 26.5 82.7 162 165 A E H X S+ 0 0 0 -4,-2.9 4,-4.0 1,-0.2 -2,-0.2 0.917 112.9 50.4 -67.6 -42.2 18.2 24.9 79.9 163 166 A A H X S+ 0 0 0 -4,-5.1 4,-3.3 2,-0.2 -1,-0.2 0.907 113.0 47.0 -66.1 -37.9 18.9 27.6 77.6 164 167 A K H X S+ 0 0 57 -4,-3.3 4,-3.6 -5,-0.3 -1,-0.2 0.938 112.7 48.8 -65.2 -47.4 22.5 27.5 78.6 165 168 A F H X S+ 0 0 0 -4,-3.4 4,-4.2 -5,-0.2 5,-0.3 0.940 113.5 47.9 -57.2 -43.4 22.6 23.9 78.3 166 169 A L H X S+ 0 0 0 -4,-4.0 4,-4.1 1,-0.3 5,-0.4 0.917 110.5 51.0 -64.6 -39.2 21.0 24.3 74.9 167 170 A L H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 5,-0.3 0.953 116.8 41.4 -59.9 -45.2 23.4 26.9 74.1 168 171 A V H X S+ 0 0 0 -4,-3.6 4,-3.7 1,-0.2 -2,-0.2 0.963 119.9 42.2 -66.3 -47.4 26.1 24.6 75.0 169 172 A A H X>S+ 0 0 0 -4,-4.2 4,-2.0 1,-0.2 5,-0.7 0.907 114.7 50.9 -68.4 -42.6 24.6 21.6 73.5 170 173 A I H X>S+ 0 0 10 -4,-4.1 5,-3.1 -5,-0.3 4,-0.6 0.947 117.1 39.7 -64.2 -42.9 23.5 23.3 70.4 171 174 A Q H <>S+ 0 0 0 -4,-2.4 5,-1.8 -5,-0.4 -1,-0.2 0.907 118.8 45.1 -76.0 -37.4 26.8 24.7 69.9 172 175 A M H <5S+ 0 0 0 -4,-3.7 -1,-0.2 -5,-0.3 -2,-0.2 0.648 129.3 25.2 -82.0 -8.9 28.7 21.7 71.0 173 176 A V H X5S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -3,-0.2 0.727 134.2 23.1-112.8 -69.2 26.6 19.5 69.0 174 177 A S H XX - 0 0 0 -4,-3.7 4,-3.5 69,-0.3 3,-0.7 -0.919 56.2-165.9-123.1 117.1 31.4 23.7 62.0 180 183 A K H 3> S+ 0 0 82 -2,-0.6 4,-4.7 1,-0.3 5,-0.2 0.849 97.6 64.7 -56.4 -31.1 34.5 21.8 62.4 181 184 A Y H 3> S+ 0 0 23 66,-2.7 4,-2.3 2,-0.2 -1,-0.3 0.923 105.9 39.7 -59.0 -44.7 35.7 25.0 63.6 182 185 A I H <> S+ 0 0 0 -3,-0.7 4,-3.1 65,-0.5 -6,-0.2 0.946 115.0 51.9 -71.2 -45.9 33.4 24.9 66.5 183 186 A E H X S+ 0 0 6 -4,-3.5 4,-3.5 -7,-0.7 -2,-0.2 0.948 111.7 48.8 -46.8 -50.0 34.1 21.3 66.9 184 187 A N H X S+ 0 0 57 -4,-4.7 4,-3.9 1,-0.3 -1,-0.3 0.835 107.8 54.4 -62.2 -35.4 37.7 22.2 66.8 185 188 A Q H X S+ 0 0 26 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.3 0.934 111.0 45.1 -60.9 -45.8 37.0 24.9 69.3 186 189 A V H < S+ 0 0 0 -4,-3.1 6,-0.3 2,-0.2 -2,-0.2 0.950 117.9 43.6 -62.5 -48.0 35.5 22.4 71.5 187 190 A K H >< S+ 0 0 34 -4,-3.5 3,-2.1 1,-0.3 -2,-0.2 0.896 112.6 51.7 -64.3 -40.9 38.2 20.0 70.9 188 191 A T H 3< S+ 0 0 22 -4,-3.9 88,-0.6 1,-0.3 -1,-0.3 0.831 122.3 34.1 -63.3 -31.9 40.8 22.6 71.2 189 192 A N T >< S+ 0 0 11 -4,-2.0 3,-2.6 -5,-0.2 -1,-0.3 -0.041 83.1 132.3-108.8 32.2 39.2 23.5 74.4 190 193 A F T < S+ 0 0 13 -3,-2.1 -49,-0.5 1,-0.3 -48,-0.3 0.777 73.5 40.4 -61.3 -27.2 38.3 20.1 75.2 191 194 A N T 3 S+ 0 0 37 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.078 117.1 54.7-107.1 20.2 39.5 20.1 78.6 192 195 A R S < S- 0 0 99 -3,-2.6 -51,-0.3 -6,-0.3 2,-0.3 -0.986 82.1-108.0-152.2 161.0 38.3 23.5 79.4 193 196 A D - 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