==== 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 HYDROLASE 17-JUL-06 2HP9 . COMPND 2 MOLECULE: BETA-LACTAMASE PSE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR F.KERFF,C.FALZONE,R.HERMAN,E.SAUVAGE,P.CHARLIER . 491 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20631.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 18.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 . 30 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.9 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 3 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 5 1 3 1 0 0 2 0 2 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 . 1 0 0 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 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 21 A S 0 0 107 0, 0.0 30,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.4 18.6 -4.7 45.1 2 22 A I E -a 31 0A 56 28,-0.2 2,-0.4 20,-0.0 30,-0.2 -0.984 360.0-162.5-118.6 126.5 14.8 -3.8 45.4 3 23 A T E -a 32 0A 77 28,-3.2 30,-2.2 -2,-0.4 2,-0.2 -0.911 17.8-123.8-114.7 134.0 12.3 -6.3 44.0 4 24 A E E -a 33 0A 96 -2,-0.4 2,-0.4 28,-0.2 30,-0.2 -0.519 20.9-162.7 -73.9 139.7 8.6 -5.5 43.1 5 25 A N > - 0 0 43 28,-3.4 3,-0.6 -2,-0.2 4,-0.1 -0.974 7.7-172.7-128.8 113.9 6.0 -7.7 44.8 6 26 A T G > S+ 0 0 98 -2,-0.4 3,-1.2 1,-0.2 4,-0.2 0.667 72.8 74.2 -84.6 -18.3 2.5 -7.7 43.3 7 27 A S G 3 S+ 0 0 84 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.668 88.9 60.7 -74.0 -16.5 0.6 -9.6 45.9 8 28 A W G X S+ 0 0 8 -3,-0.6 3,-1.3 1,-0.2 4,-0.5 0.595 80.3 89.0 -82.5 -11.2 0.6 -6.7 48.3 9 29 A N T X> S+ 0 0 59 -3,-1.2 4,-1.9 1,-0.3 3,-1.0 0.767 72.9 68.7 -58.9 -31.9 -1.4 -4.5 45.9 10 30 A K H 3> S+ 0 0 155 -3,-0.5 4,-2.4 1,-0.2 -1,-0.3 0.804 93.4 57.8 -57.3 -34.0 -4.8 -5.7 47.1 11 31 A E H <4 S+ 0 0 56 -3,-1.3 4,-0.3 1,-0.2 -1,-0.2 0.739 110.7 42.9 -71.8 -24.9 -4.2 -3.8 50.5 12 32 A F H <4>S+ 0 0 11 -3,-1.0 5,-3.3 -4,-0.5 -2,-0.2 0.780 114.6 49.9 -86.4 -34.9 -3.8 -0.5 48.6 13 33 A S H ><5S+ 0 0 88 -4,-1.9 3,-1.5 3,-0.2 -2,-0.2 0.925 103.7 57.0 -71.0 -47.8 -6.7 -1.1 46.2 14 34 A A T 3<5S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.754 119.0 34.2 -53.9 -28.2 -9.3 -2.1 48.8 15 35 A E T 3 5S- 0 0 85 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 0.343 108.4-123.6-110.0 2.0 -8.6 1.3 50.4 16 36 A A T < 5 + 0 0 85 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.955 54.9 163.9 50.1 59.1 -8.0 3.2 47.2 17 37 A V < - 0 0 16 -5,-3.3 2,-0.9 2,-0.0 -1,-0.2 -0.917 40.8-149.4-118.3 128.7 -4.5 4.3 48.5 18 38 A N + 0 0 114 -2,-0.4 202,-2.7 202,-0.3 2,-0.3 -0.827 56.5 108.0 -92.0 99.5 -1.5 5.7 46.6 19 39 A G E -B 219 0A 6 -2,-0.9 2,-0.3 200,-0.3 200,-0.3 -0.890 53.8-123.7-157.5-175.2 1.4 4.5 48.7 20 40 A V E -B 218 0A 0 198,-2.7 198,-1.8 -2,-0.3 2,-0.4 -0.995 7.1-159.7-145.7 145.4 4.4 2.2 49.0 21 41 A F E -B 217 0A 0 -2,-0.3 13,-0.7 196,-0.2 2,-0.5 -0.982 6.3-166.7-129.6 120.6 5.7 -0.5 51.5 22 42 A V E +BC 216 33A 0 194,-2.6 194,-1.8 -2,-0.4 2,-0.4 -0.929 10.3 178.3-107.3 129.5 9.3 -1.6 51.6 23 43 A L E -BC 215 32A 13 9,-2.5 9,-2.4 -2,-0.5 2,-0.5 -0.972 4.0-176.7-137.3 118.5 10.1 -4.7 53.6 24 44 A a E -BC 214 31A 0 190,-2.6 190,-2.5 -2,-0.4 2,-0.4 -0.965 15.2-145.6-124.0 124.5 13.5 -6.3 54.0 25 45 A K E S-B 213 0A 119 5,-0.6 2,-2.7 -2,-0.5 5,-0.2 -0.715 76.9 -17.8 -89.0 135.6 14.4 -9.5 55.8 26 46 A S S S+ 0 0 63 186,-3.0 2,-0.3 -2,-0.4 -1,-0.1 -0.222 132.5 6.2 69.3 -50.9 17.7 -9.8 57.7 27 47 A S S > S- 0 0 32 -2,-2.7 3,-0.7 3,-0.2 187,-0.1 -0.943 73.5-106.4-155.4 170.5 19.3 -6.8 55.9 28 48 A S T 3 S+ 0 0 30 -2,-0.3 3,-0.3 1,-0.2 120,-0.1 0.322 94.2 92.3 -87.7 6.8 18.7 -4.0 53.5 29 49 A K T 3 S+ 0 0 168 1,-0.3 2,-0.3 -4,-0.1 -1,-0.2 0.731 95.8 30.6 -75.6 -21.6 20.6 -5.7 50.7 30 50 A S S < S+ 0 0 70 -3,-0.7 -5,-0.6 -5,-0.2 2,-0.3 -0.827 78.0 174.3-139.9 100.1 17.4 -7.3 49.3 31 51 A a E -aC 2 24A 6 -30,-2.3 -28,-3.2 -2,-0.3 2,-0.3 -0.792 19.7-144.8-108.1 148.3 14.1 -5.5 49.8 32 52 A A E +aC 3 23A 24 -9,-2.4 -9,-2.5 -2,-0.3 2,-0.3 -0.850 24.9 168.2-108.3 148.1 10.6 -6.2 48.6 33 53 A T E -aC 4 22A 0 -30,-2.2 -28,-3.4 -2,-0.3 3,-0.2 -0.993 42.7-132.8-156.5 152.7 8.1 -3.5 47.5 34 54 A N S S+ 0 0 15 -13,-0.7 2,-0.4 -2,-0.3 -30,-0.1 0.735 102.4 33.5 -78.9 -22.7 4.7 -3.0 45.8 35 55 A D > - 0 0 58 -14,-0.2 4,-2.0 1,-0.1 -1,-0.3 -0.902 60.5-166.3-141.6 106.8 6.2 -0.1 43.7 36 56 A L H > S+ 0 0 84 -2,-0.4 4,-0.7 -3,-0.2 -1,-0.1 0.933 93.6 46.5 -51.9 -52.7 9.8 0.1 42.5 37 57 A A H >4 S+ 0 0 76 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.963 114.4 43.2 -56.4 -60.0 9.5 3.7 41.6 38 58 A R H >4 S+ 0 0 27 1,-0.3 3,-1.8 2,-0.2 105,-0.4 0.770 98.7 74.1 -65.4 -27.8 7.8 5.0 44.8 39 59 A A H 3< S+ 0 0 0 -4,-2.0 105,-2.2 1,-0.3 106,-0.3 0.824 108.5 33.3 -51.9 -34.8 10.1 3.0 47.0 40 60 A S T << S+ 0 0 61 -3,-1.5 2,-0.5 -4,-0.7 -1,-0.3 0.180 91.0 116.9-110.0 14.6 12.9 5.5 46.2 41 61 A K < - 0 0 122 -3,-1.8 2,-0.4 -4,-0.1 102,-0.4 -0.741 63.8-128.3 -86.5 130.6 10.7 8.6 45.9 42 62 A E + 0 0 82 -2,-0.5 2,-0.3 100,-0.2 100,-0.3 -0.651 32.0 172.3 -92.2 125.7 11.6 11.2 48.5 43 63 A Y B -G 141 0B 25 98,-2.4 98,-2.6 -2,-0.4 0, 0.0 -0.836 45.9 -75.7-122.4 159.9 9.0 12.8 50.7 44 64 A L - 0 0 29 -2,-0.3 96,-0.2 96,-0.2 145,-0.2 -0.346 39.2-148.5 -45.8 124.6 8.9 15.2 53.8 45 65 A P > + 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.804 28.4 174.5 -71.6 -28.3 9.9 12.9 56.7 46 66 A A G > S- 0 0 8 88,-2.2 3,-2.4 1,-0.3 4,-0.1 -0.293 70.1 -3.1 50.5-136.1 7.8 14.9 59.2 47 67 A S G > S+ 0 0 16 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.640 121.7 76.7 -58.9 -18.7 7.8 13.2 62.7 48 68 A T G X S+ 0 0 0 -3,-1.7 3,-1.4 1,-0.3 -1,-0.3 0.775 83.3 69.5 -62.4 -22.3 10.0 10.3 61.4 49 69 A F G <> S+ 0 0 10 -3,-2.4 4,-2.4 1,-0.3 -1,-0.3 0.618 76.3 81.3 -67.7 -12.9 12.8 12.9 61.6 50 70 A K H <> S+ 0 0 15 -3,-2.0 4,-1.6 2,-0.2 -1,-0.3 0.760 85.5 61.5 -65.6 -21.5 12.4 12.6 65.4 51 71 A I H <> S+ 0 0 2 -3,-1.4 4,-1.6 -4,-0.2 3,-0.4 0.995 110.8 32.7 -66.5 -65.3 14.6 9.5 65.1 52 72 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.905 119.0 56.2 -59.9 -37.6 17.7 11.0 63.7 53 73 A N H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.828 104.1 52.9 -61.7 -34.9 17.0 14.3 65.7 54 74 A A H X S+ 0 0 0 -4,-1.6 4,-1.2 -3,-0.4 -1,-0.2 0.865 111.7 45.9 -66.5 -37.8 16.9 12.3 68.9 55 75 A I H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.919 113.7 48.3 -69.0 -46.3 20.4 10.8 68.2 56 76 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 6,-0.2 0.934 109.8 52.0 -60.4 -48.2 21.8 14.1 67.1 57 77 A G H < S+ 0 0 0 -4,-2.4 6,-3.0 1,-0.2 4,-0.5 0.837 113.1 46.0 -57.2 -36.3 20.5 15.8 70.3 58 78 A L H >< S+ 0 0 10 -4,-1.2 3,-0.7 4,-0.2 -2,-0.2 0.907 112.1 49.5 -72.8 -44.6 22.1 13.1 72.4 59 79 A E H 3< S+ 0 0 54 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.812 112.6 47.7 -63.4 -33.9 25.4 13.2 70.5 60 80 A T T 3< S- 0 0 24 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.534 111.2-115.6 -88.2 -9.9 25.7 17.0 70.8 61 81 A G S < S+ 0 0 51 -3,-0.7 -3,-0.1 -4,-0.5 -4,-0.1 0.183 86.7 116.0 92.6 -16.9 24.9 17.2 74.5 62 82 A V S S+ 0 0 24 -6,-0.2 2,-0.7 -5,-0.2 -4,-0.2 0.897 79.2 48.1 -48.9 -49.3 21.6 19.2 73.8 63 83 A I S S- 0 0 1 -6,-3.0 -2,-0.3 1,-0.1 -1,-0.1 -0.904 87.9-153.8 -91.2 117.9 19.8 16.2 75.3 64 84 A K - 0 0 166 -2,-0.7 2,-0.3 1,-0.1 -1,-0.1 0.859 54.5 -42.8 -67.7 -41.4 21.7 15.5 78.5 65 85 A N > - 0 0 47 -3,-0.1 3,-1.1 1,-0.1 -1,-0.1 -0.930 68.9 -65.7-165.9-170.0 20.9 11.8 78.9 66 86 A E T 3 S+ 0 0 20 -2,-0.3 22,-0.4 1,-0.2 -1,-0.1 0.844 125.7 47.3 -59.6 -38.5 18.5 8.9 78.8 67 87 A H T 3 S+ 0 0 49 20,-0.1 -1,-0.2 21,-0.1 2,-0.2 0.098 77.8 141.2-100.2 21.3 16.4 10.2 81.7 68 88 A Q < - 0 0 53 -3,-1.1 2,-0.6 1,-0.1 20,-0.5 -0.436 40.1-148.7 -65.8 133.1 16.1 13.9 80.5 69 89 A V - 0 0 49 -2,-0.2 2,-1.0 18,-0.2 18,-0.2 -0.934 5.5-144.2-107.7 117.2 12.6 15.4 81.1 70 90 A F B -H 86 0C 20 16,-3.8 16,-2.4 -2,-0.6 2,-0.1 -0.711 25.8-145.8 -81.6 101.6 11.5 18.0 78.6 71 91 A K - 0 0 149 -2,-1.0 2,-0.4 14,-0.2 14,-0.1 -0.401 7.6-123.3 -74.9 141.7 9.6 20.5 80.9 72 92 A W - 0 0 78 -2,-0.1 13,-0.1 1,-0.1 -1,-0.1 -0.731 9.9-149.6 -85.6 132.2 6.5 22.4 79.7 73 93 A D - 0 0 108 -2,-0.4 -1,-0.1 2,-0.2 10,-0.0 0.238 40.1-112.7 -85.5 12.3 6.8 26.2 80.0 74 94 A G S S+ 0 0 51 1,-0.3 3,-0.1 0, 0.0 -1,-0.1 0.265 79.5 127.2 75.7 -13.6 3.1 26.6 80.6 75 95 A K S S- 0 0 138 1,-0.1 -1,-0.3 0, 0.0 -2,-0.2 -0.492 72.7 -89.5 -75.6 144.9 2.8 28.4 77.2 76 96 A P - 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.248 41.9-160.3 -61.0 139.4 0.2 27.0 74.8 77 97 A R - 0 0 46 2,-0.1 6,-0.1 -3,-0.1 5,-0.1 -0.875 31.1-108.9-118.7 155.8 1.2 24.2 72.4 78 98 A A S S+ 0 0 96 -2,-0.3 2,-0.4 4,-0.1 3,-0.0 0.736 105.0 38.6 -58.4 -29.3 -0.5 23.1 69.2 79 99 A M S > S- 0 0 86 1,-0.1 3,-1.2 0, 0.0 4,-0.3 -0.962 74.2-138.1-123.1 143.6 -1.8 19.8 70.8 80 100 A K G > S+ 0 0 174 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.836 103.2 63.8 -67.5 -32.9 -3.1 19.4 74.3 81 101 A Q G 3 S+ 0 0 94 1,-0.3 -1,-0.3 13,-0.1 13,-0.1 0.542 100.4 53.9 -69.3 -8.2 -1.2 16.0 74.7 82 102 A W G < S+ 0 0 20 -3,-1.2 2,-2.1 1,-0.1 -1,-0.3 0.525 81.9 95.4 -95.1 -12.3 2.0 18.0 74.3 83 103 A E S < S+ 0 0 50 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.1 -0.428 76.6 64.6 -83.7 65.8 1.1 20.4 77.2 84 104 A R S S- 0 0 67 -2,-2.1 2,-0.1 -14,-0.1 -11,-0.1 -0.961 96.5 -71.3-171.0 161.0 3.0 18.5 79.9 85 105 A D - 0 0 57 -2,-0.3 2,-0.4 -13,-0.1 -14,-0.2 -0.440 57.2-161.5 -61.8 138.5 6.5 17.5 81.0 86 106 A L B -H 70 0C 2 -16,-2.4 -16,-3.8 -2,-0.1 2,-0.1 -0.959 17.8-142.4-132.2 143.9 7.8 14.8 78.6 87 107 A T > - 0 0 35 -2,-0.4 4,-3.4 -18,-0.2 5,-0.2 -0.394 42.9 -97.9 -85.4 175.7 10.5 12.1 78.6 88 108 A L H > S+ 0 0 5 -20,-0.5 4,-2.4 -22,-0.4 5,-0.1 0.978 129.9 39.5 -58.1 -56.6 12.4 11.3 75.4 89 109 A R H > S+ 0 0 21 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.905 115.1 55.4 -57.2 -44.5 10.2 8.4 74.6 90 110 A G H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.935 110.1 43.7 -53.0 -52.7 7.2 10.5 75.8 91 111 A A H <>S+ 0 0 0 -4,-3.4 5,-3.2 1,-0.2 -1,-0.2 0.864 116.3 49.4 -61.5 -38.7 8.0 13.3 73.4 92 112 A I H ><5S+ 0 0 1 -4,-2.4 3,-0.6 -5,-0.2 -2,-0.2 0.920 111.0 48.4 -66.3 -45.8 8.7 10.8 70.6 93 113 A Q H 3<5S+ 0 0 37 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.894 118.0 37.7 -68.7 -42.7 5.4 8.8 71.1 94 114 A V T 3<5S- 0 0 17 -4,-2.2 -1,-0.2 -5,-0.2 3,-0.2 0.409 110.8-123.3 -84.7 3.4 3.0 11.8 71.2 95 115 A S T < 5 - 0 0 20 -3,-0.6 2,-1.8 -4,-0.2 -3,-0.2 0.947 29.5-159.1 52.7 58.1 5.2 13.4 68.5 96 116 A A >>< - 0 0 0 -5,-3.2 4,-1.6 1,-0.2 3,-0.6 -0.471 11.1-174.6 -74.6 85.0 5.9 16.5 70.5 97 117 A V H 3> S+ 0 0 30 -2,-1.8 4,-2.2 1,-0.2 3,-0.3 0.879 78.5 51.1 -47.2 -52.4 6.9 19.0 67.7 98 118 A P H 3> S+ 0 0 26 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.862 105.8 56.2 -62.9 -32.8 7.9 21.9 70.0 99 119 A V H <> S+ 0 0 6 -3,-0.6 4,-1.8 1,-0.2 -2,-0.2 0.931 113.7 40.4 -57.7 -45.8 10.2 19.7 72.1 100 120 A F H X S+ 0 0 7 -4,-1.6 4,-2.4 -3,-0.3 -1,-0.2 0.715 109.3 59.0 -82.2 -22.6 12.1 18.7 69.0 101 121 A Q H X S+ 0 0 54 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.953 108.6 46.3 -63.6 -50.5 12.0 22.2 67.5 102 122 A Q H X S+ 0 0 88 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.901 112.6 49.8 -59.5 -45.1 13.9 23.4 70.6 103 123 A I H X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.958 111.3 49.5 -53.5 -52.9 16.3 20.5 70.4 104 124 A A H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.889 108.7 53.3 -56.2 -42.9 16.9 21.3 66.7 105 125 A R H < S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.934 110.1 46.3 -56.6 -50.3 17.5 25.0 67.5 106 126 A E H < S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.759 109.1 55.2 -68.9 -27.7 20.2 24.2 70.1 107 127 A V H X S- 0 0 4 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.925 103.4-155.0 -63.5 -46.3 21.8 21.7 67.7 108 128 A G H X - 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0 0 22 -4,-2.2 4,-1.9 -5,-0.2 5,-0.2 0.133 30.4 -75.5 78.3 163.9 32.3 -19.0 87.0 356 129 B E H > S+ 0 0 134 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 124.5 56.4 -63.2 -42.7 31.8 -18.7 90.8 357 130 B V H > S+ 0 0 122 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 113.9 37.8 -58.2 -50.5 34.6 -16.2 91.4 358 131 B R H X S+ 0 0 90 -4,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.848 114.7 54.5 -71.7 -36.5 33.2 -13.6 89.0 359 132 B M H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.926 109.6 48.4 -61.4 -46.0 29.6 -14.2 89.8 360 133 B Q H X S+ 0 0 69 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.893 110.7 52.1 -58.1 -45.0 30.3 -13.6 93.5 361 134 B K H X S+ 0 0 100 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.936 112.8 42.3 -59.1 -51.9 32.2 -10.4 92.7 362 135 B Y H X S+ 0 0 25 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.849 111.2 54.8 -70.1 -35.2 29.4 -8.9 90.7 363 136 B L H X>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-0.7 0.825 108.8 49.5 -67.4 -31.5 26.6 -9.9 93.1 364 137 B K H ><5S+ 0 0 141 -4,-1.7 3,-0.6 2,-0.2 -2,-0.2 0.920 112.5 47.6 -67.0 -45.5 28.6 -8.2 95.9 365 138 B K H 3<5S+ 0 0 104 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.845 115.4 45.9 -60.9 -35.8 28.8 -5.1 93.6 366 139 B F H 3<5S- 0 0 9 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.597 102.3-132.5 -82.6 -14.2 25.1 -5.4 92.8 367 140 B S T <<5 + 0 0 75 -4,-0.7 2,-1.3 -3,-0.6 -3,-0.2 0.894 40.1 178.1 57.5 44.4 24.1 -6.0 96.5 368 141 B Y > < - 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