==== 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 2HPB . 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) . 20721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 71.3 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 . 95 19.3 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 . 26 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.6 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 3 3 3 1 0 0 0 0 0 0 0 0 1 0 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 . 2 4 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 . 4 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 0 102 0, 0.0 30,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 117.4 18.2 -4.3 45.0 2 22 A I E -a 31 0A 59 28,-0.2 2,-0.4 20,-0.0 30,-0.2 -0.972 360.0-163.8-120.2 117.5 14.5 -3.4 45.2 3 23 A T E -a 32 0A 81 28,-3.1 30,-1.9 -2,-0.5 2,-0.2 -0.869 18.9-122.8-107.7 131.8 12.0 -6.0 43.8 4 24 A E E -a 33 0A 99 -2,-0.4 2,-0.5 28,-0.2 30,-0.2 -0.464 20.6-162.4 -70.4 135.7 8.4 -5.2 43.0 5 25 A N - 0 0 42 28,-3.1 3,-0.5 -2,-0.2 4,-0.1 -0.981 10.9-176.7-122.1 118.7 5.7 -7.3 44.8 6 26 A T S > S+ 0 0 102 -2,-0.5 3,-1.2 1,-0.2 4,-0.3 0.665 70.8 79.9 -86.6 -17.8 2.2 -7.2 43.2 7 27 A S T 3 S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.1 27,-0.1 0.182 88.4 55.1 -82.0 17.2 0.6 -9.3 45.9 8 28 A W T >> S+ 0 0 4 -3,-0.5 3,-1.8 2,-0.1 4,-0.6 0.481 80.2 93.0-114.6 -14.3 0.2 -6.4 48.4 9 29 A N H X> S+ 0 0 54 -3,-1.2 4,-3.4 1,-0.3 3,-0.6 0.737 70.8 67.7 -57.0 -33.2 -1.7 -4.1 46.0 10 30 A K H 3> S+ 0 0 163 -4,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.776 95.9 58.5 -58.1 -28.2 -5.2 -5.1 47.1 11 31 A E H <4 S+ 0 0 64 -3,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.840 112.7 37.6 -74.4 -35.7 -4.5 -3.5 50.4 12 32 A F H X<>S+ 0 0 11 -3,-0.6 5,-2.0 -4,-0.6 3,-1.3 0.913 118.3 52.6 -72.9 -50.2 -3.8 -0.1 48.7 13 33 A S H ><5S+ 0 0 81 -4,-3.4 3,-1.6 1,-0.2 -2,-0.2 0.906 102.9 55.1 -47.5 -56.5 -6.7 -0.8 46.2 14 34 A A T 3<5S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.623 115.9 39.5 -59.6 -14.4 -9.4 -1.6 48.7 15 35 A E T < 5S- 0 0 89 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.355 105.4-120.7-119.4 0.5 -8.7 1.8 50.4 16 36 A A T < 5 + 0 0 83 -3,-1.6 2,-0.4 -4,-0.5 -3,-0.2 0.856 59.2 156.8 57.8 41.3 -8.2 4.0 47.4 17 37 A V < - 0 0 14 -5,-2.0 2,-0.8 -6,-0.1 -1,-0.2 -0.826 40.8-152.8-105.6 130.5 -4.7 4.9 48.7 18 38 A N + 0 0 117 -2,-0.4 202,-2.6 202,-0.3 2,-0.2 -0.892 53.7 110.4 -96.4 103.1 -1.7 6.2 46.6 19 39 A G E -B 219 0A 7 -2,-0.8 2,-0.3 200,-0.3 200,-0.3 -0.850 54.7-118.1-156.3-172.5 1.3 5.0 48.6 20 40 A V E -B 218 0A 0 198,-2.8 198,-2.3 -2,-0.2 2,-0.4 -0.999 8.8-163.8-146.7 138.3 4.3 2.7 49.0 21 41 A F E -B 217 0A 0 -2,-0.3 13,-0.8 196,-0.2 2,-0.4 -0.986 8.5-168.7-118.9 136.6 5.4 -0.0 51.4 22 42 A V E +BC 216 33A 0 194,-2.8 194,-2.2 -2,-0.4 2,-0.4 -0.993 8.5 177.5-126.5 130.2 9.1 -1.1 51.6 23 43 A L E -BC 215 32A 12 9,-2.0 9,-3.0 -2,-0.4 2,-0.4 -0.997 6.7-174.4-139.2 127.3 10.0 -4.2 53.5 24 44 A a E -BC 214 31A 0 190,-2.5 190,-2.4 -2,-0.4 2,-0.3 -0.990 15.1-145.6-127.9 123.8 13.4 -5.8 53.8 25 45 A K E S-B 213 0A 116 5,-0.6 2,-2.7 -2,-0.4 5,-0.2 -0.713 79.7 -15.7 -86.3 138.2 14.1 -9.1 55.5 26 46 A S S S- 0 0 57 186,-3.4 2,-0.3 -2,-0.3 -1,-0.1 -0.164 131.7 -3.7 66.1 -46.0 17.4 -9.4 57.4 27 47 A S S > S- 0 0 28 -2,-2.7 3,-0.8 3,-0.3 187,-0.1 -0.967 73.0 -95.7-161.9 174.8 19.0 -6.4 55.6 28 48 A S T 3 S+ 0 0 38 -2,-0.3 3,-0.3 1,-0.2 120,-0.1 0.322 95.7 95.7 -81.3 6.6 18.6 -3.6 53.0 29 49 A K T 3 S+ 0 0 176 1,-0.3 2,-0.3 -4,-0.1 -1,-0.2 0.741 99.2 17.5 -74.1 -20.0 20.5 -5.7 50.5 30 50 A S S < S+ 0 0 62 -3,-0.8 -5,-0.6 -5,-0.2 2,-0.3 -0.810 75.6 174.7-153.3 113.9 17.1 -6.9 49.1 31 51 A a E -aC 2 24A 13 -30,-2.1 -28,-3.1 -3,-0.3 2,-0.3 -0.803 20.1-138.6-115.8 154.5 13.8 -5.2 49.7 32 52 A A E +aC 3 23A 26 -9,-3.0 -9,-2.0 -2,-0.3 2,-0.3 -0.882 26.7 167.8-113.9 147.9 10.2 -5.8 48.4 33 53 A T E -aC 4 22A 0 -30,-1.9 -28,-3.1 -2,-0.3 3,-0.2 -0.996 43.2-133.8-159.4 151.2 7.8 -3.0 47.3 34 54 A N S S+ 0 0 18 -13,-0.8 2,-0.3 -2,-0.3 -30,-0.1 0.640 101.9 32.6 -79.2 -13.6 4.5 -2.4 45.5 35 55 A D > - 0 0 57 -14,-0.3 4,-2.1 1,-0.1 -1,-0.3 -0.834 57.9-168.7-153.8 103.5 6.1 0.5 43.6 36 56 A L H > S+ 0 0 76 -2,-0.3 4,-1.0 -3,-0.2 3,-0.2 0.960 93.3 47.0 -57.0 -55.0 9.7 0.8 42.4 37 57 A A H >4 S+ 0 0 79 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.968 115.7 43.5 -53.5 -59.9 9.4 4.4 41.5 38 58 A R H >4 S+ 0 0 26 1,-0.3 3,-1.0 2,-0.2 105,-0.5 0.751 99.8 71.5 -62.3 -27.0 7.7 5.5 44.7 39 59 A A H 3< S+ 0 0 0 -4,-2.1 105,-2.0 1,-0.2 -1,-0.3 0.854 110.3 33.0 -53.7 -35.9 10.0 3.4 46.9 40 60 A S T << S+ 0 0 60 -3,-1.7 2,-0.3 -4,-1.0 -1,-0.2 0.237 91.9 117.1-107.8 10.2 12.8 6.0 46.0 41 61 A K < - 0 0 122 -3,-1.0 102,-0.5 -4,-0.3 2,-0.5 -0.659 63.8-127.9 -79.7 140.4 10.6 9.0 45.8 42 62 A E E +G 142 0B 88 -2,-0.3 2,-0.3 100,-0.2 100,-0.3 -0.767 31.5 172.6-102.6 125.7 11.5 11.6 48.4 43 63 A Y E -G 141 0B 22 98,-3.3 98,-3.7 -2,-0.5 0, 0.0 -0.838 44.1 -79.8-124.9 161.0 8.9 13.2 50.8 44 64 A L - 0 0 27 -2,-0.3 96,-0.2 96,-0.3 145,-0.1 -0.400 37.7-144.0 -52.5 129.2 8.9 15.5 53.8 45 65 A P > + 0 0 0 0, 0.0 3,-1.6 0, 0.0 90,-0.1 0.770 27.4 179.1 -73.1 -25.3 9.8 13.3 56.9 46 66 A A G > S- 0 0 6 88,-2.2 3,-2.6 1,-0.2 4,-0.1 -0.260 71.5 -8.7 46.4-137.5 7.5 15.1 59.3 47 67 A S G > S+ 0 0 17 1,-0.3 3,-2.4 2,-0.2 -1,-0.2 0.643 121.6 80.1 -68.6 -11.9 7.7 13.5 62.8 48 68 A T G X S+ 0 0 0 -3,-1.6 3,-1.1 1,-0.3 -1,-0.3 0.689 80.3 72.2 -61.4 -16.0 9.8 10.6 61.5 49 69 A F G <> S+ 0 0 10 -3,-2.6 4,-2.4 1,-0.2 -1,-0.3 0.634 74.2 82.4 -72.5 -10.7 12.6 13.2 61.7 50 70 A K H <> S+ 0 0 11 -3,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.790 83.6 62.2 -64.5 -22.3 12.4 12.8 65.5 51 71 A I H <> S+ 0 0 2 -3,-1.1 4,-1.8 -4,-0.2 -1,-0.2 0.995 112.0 30.8 -68.0 -61.2 14.6 9.7 65.1 52 72 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.888 119.2 56.3 -64.9 -34.2 17.7 11.4 63.7 53 73 A N H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.915 107.1 49.7 -62.3 -40.9 16.9 14.6 65.7 54 74 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.898 111.4 47.8 -60.6 -44.8 16.9 12.6 68.9 55 75 A I H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.914 113.7 48.5 -63.2 -44.4 20.3 10.9 68.1 56 76 A I H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 6,-0.3 0.810 108.8 53.6 -64.2 -37.2 21.7 14.4 67.2 57 77 A G H <>S+ 0 0 0 -4,-2.1 6,-2.9 -5,-0.2 5,-0.8 0.886 113.5 42.3 -67.9 -38.1 20.4 15.9 70.4 58 78 A L H ><5S+ 0 0 11 -4,-1.9 3,-1.5 4,-0.2 -2,-0.2 0.940 112.7 53.1 -71.8 -48.2 22.0 13.3 72.5 59 79 A E H 3<5S+ 0 0 54 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.788 111.9 44.8 -54.6 -35.6 25.3 13.3 70.5 60 80 A T T 3<5S- 0 0 26 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.352 113.7-113.3 -94.8 3.9 25.8 17.1 70.9 61 81 A G T < 5S+ 0 0 50 -3,-1.5 -3,-0.2 2,-0.3 -2,-0.1 0.433 86.9 118.7 79.2 -1.9 24.9 17.1 74.6 62 82 A V S - 0 0 44 -3,-0.1 3,-1.4 1,-0.0 -1,-0.2 -0.976 69.6 -57.6-174.4-173.3 21.0 12.0 78.8 66 86 A E T 3 S+ 0 0 26 -2,-0.3 22,-0.4 1,-0.2 -2,-0.0 0.733 125.5 47.5 -51.4 -35.8 18.5 9.1 78.8 67 87 A H T 3 S+ 0 0 52 20,-0.1 -1,-0.2 21,-0.1 335,-0.0 0.352 78.1 140.5-100.3 3.4 16.5 10.5 81.8 68 88 A Q < - 0 0 49 -3,-1.4 20,-0.6 1,-0.1 2,-0.5 -0.156 40.9-148.5 -41.1 131.4 16.2 14.1 80.5 69 89 A V E -H 87 0C 46 18,-0.2 2,-1.1 19,-0.1 18,-0.2 -0.960 5.3-144.6-112.0 127.1 12.8 15.7 81.2 70 90 A F E -H 86 0C 26 16,-3.9 16,-1.7 -2,-0.5 2,-0.2 -0.792 25.3-149.6 -89.9 95.4 11.5 18.2 78.7 71 91 A K - 0 0 151 -2,-1.1 2,-0.4 14,-0.2 14,-0.1 -0.459 7.3-128.8 -71.9 138.3 9.6 20.6 81.0 72 92 A W - 0 0 80 -2,-0.2 13,-0.1 1,-0.1 -1,-0.1 -0.712 7.0-149.1 -86.2 132.7 6.6 22.5 79.8 73 93 A D - 0 0 112 -2,-0.4 -1,-0.1 2,-0.1 10,-0.1 0.373 42.7-108.5 -84.7 8.8 6.7 26.2 80.4 74 94 A G S S+ 0 0 45 1,-0.3 3,-0.1 10,-0.0 -1,-0.1 0.251 78.5 133.7 83.9 -14.0 2.9 26.5 80.7 75 95 A K - 0 0 130 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.461 68.6 -89.7 -71.0 141.5 2.7 28.3 77.3 76 96 A P - 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.175 44.4-164.8 -55.3 131.6 0.1 27.1 74.9 77 97 A R - 0 0 47 -3,-0.1 6,-0.1 2,-0.1 5,-0.1 -0.866 32.8-108.2-117.8 160.4 1.1 24.2 72.6 78 98 A A S S+ 0 0 95 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.760 105.7 39.3 -60.7 -33.1 -0.7 23.0 69.4 79 99 A M S > S- 0 0 88 1,-0.1 3,-2.1 -3,-0.0 4,-0.5 -0.979 74.5-138.6-118.3 134.7 -1.9 19.8 71.0 80 100 A K G > S+ 0 0 173 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.825 104.2 64.9 -53.4 -33.7 -3.2 19.5 74.6 81 101 A Q G 3 S+ 0 0 84 1,-0.3 -1,-0.3 13,-0.1 15,-0.1 0.642 97.9 54.2 -70.3 -13.1 -1.2 16.2 74.9 82 102 A W G < S+ 0 0 11 -3,-2.1 2,-1.9 1,-0.1 -1,-0.3 0.541 82.8 95.5 -90.8 -10.8 2.0 18.2 74.5 83 103 A E S < S+ 0 0 52 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.1 -0.485 76.3 60.7 -83.5 68.7 1.1 20.5 77.4 84 104 A R S S- 0 0 60 -2,-1.9 2,-0.1 -14,-0.1 -11,-0.1 -0.939 96.8 -71.6-174.9 166.9 3.0 18.6 80.1 85 105 A D - 0 0 48 -2,-0.3 2,-0.3 -13,-0.1 -14,-0.2 -0.483 54.9-165.3 -69.8 145.9 6.5 17.5 81.0 86 106 A L E -H 70 0C 3 -16,-1.7 -16,-3.9 -2,-0.1 2,-0.1 -0.984 19.7-138.7-140.5 141.6 7.8 14.7 78.8 87 107 A T E > -H 69 0C 35 -2,-0.3 4,-3.0 -18,-0.2 5,-0.2 -0.410 45.2 -97.4 -78.5 172.8 10.6 12.2 78.7 88 108 A L H > S+ 0 0 6 -20,-0.6 4,-2.4 -22,-0.4 5,-0.2 0.955 128.7 44.8 -58.0 -48.5 12.3 11.5 75.4 89 109 A R H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.863 113.5 50.7 -65.1 -36.5 10.1 8.5 74.8 90 110 A G H > S+ 0 0 15 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.918 111.8 47.0 -64.7 -43.8 7.0 10.4 75.8 91 111 A A H <>S+ 0 0 0 -4,-3.0 5,-2.7 2,-0.2 -2,-0.2 0.856 114.8 46.2 -69.0 -36.1 7.9 13.3 73.5 92 112 A I H ><5S+ 0 0 1 -4,-2.4 3,-1.0 -5,-0.2 -2,-0.2 0.907 110.5 54.4 -69.4 -42.3 8.6 10.9 70.6 93 113 A Q H 3<5S+ 0 0 36 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.776 117.8 33.2 -66.4 -30.9 5.4 8.9 71.3 94 114 A V T 3<5S- 0 0 11 -4,-1.5 -1,-0.3 -5,-0.1 3,-0.2 0.212 108.1-123.5-105.9 11.0 3.0 11.9 71.1 95 115 A S T < 5 - 0 0 20 -3,-1.0 2,-1.9 1,-0.2 -3,-0.2 0.932 29.1-162.3 43.8 60.6 5.2 13.6 68.5 96 116 A A >>< - 0 0 0 -5,-2.7 4,-1.5 1,-0.2 3,-0.8 -0.567 6.1-170.8 -73.2 86.1 5.6 16.7 70.6 97 117 A V H 3> S+ 0 0 25 -2,-1.9 4,-2.0 -3,-0.2 3,-0.2 0.881 78.4 54.3 -39.5 -55.1 6.8 19.1 67.8 98 118 A P H 3> S+ 0 0 26 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.805 103.7 54.9 -65.4 -29.8 7.8 21.9 70.1 99 119 A V H <> S+ 0 0 6 -3,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.939 114.1 40.7 -59.5 -49.8 10.1 19.8 72.2 100 120 A F H X S+ 0 0 7 -4,-1.5 4,-1.9 -3,-0.2 -1,-0.2 0.726 108.4 61.4 -76.4 -18.3 12.0 18.7 69.1 101 121 A Q H X S+ 0 0 50 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.940 107.1 45.5 -67.1 -44.2 11.9 22.2 67.6 102 122 A Q H X S+ 0 0 80 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.804 109.2 54.6 -70.6 -36.8 13.8 23.5 70.6 103 123 A I H X S+ 0 0 4 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.913 110.6 46.9 -55.3 -44.5 16.3 20.6 70.4 104 124 A A H X S+ 0 0 3 -4,-1.9 4,-3.5 2,-0.2 -2,-0.2 0.920 108.2 54.7 -68.8 -44.6 16.9 21.6 66.7 105 125 A R H < S+ 0 0 100 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.917 113.4 43.0 -50.9 -45.7 17.3 25.3 67.6 106 126 A E H < S+ 0 0 97 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.860 111.4 52.2 -75.6 -36.7 20.0 24.3 70.2 107 127 A V H X S- 0 0 4 -4,-2.5 4,-0.5 -5,-0.1 -2,-0.2 0.975 105.1-159.2 -56.9 -51.1 21.7 21.8 67.9 108 128 A G H X - 0 0 20 -4,-3.5 4,-2.3 -5,-0.2 5,-0.2 0.057 27.7 -72.6 87.7 159.9 21.8 24.7 65.4 109 129 A E H > S+ 0 0 132 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.796 124.4 50.7 -61.5 -37.3 22.1 24.8 61.6 110 130 A V H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.954 115.0 39.9 -72.2 -48.1 25.8 23.9 61.3 111 131 A R H X S+ 0 0 101 -4,-0.5 4,-2.1 2,-0.2 5,-0.2 0.872 112.5 56.8 -71.2 -35.1 25.7 20.8 63.5 112 132 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.948 108.6 46.4 -59.0 -49.8 22.4 19.7 62.1 113 133 A Q H X S+ 0 0 71 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.905 108.9 57.8 -53.9 -45.9 23.9 19.7 58.5 114 134 A K H X S+ 0 0 116 -4,-2.0 4,-1.8 1,-0.2 3,-0.2 0.938 111.1 39.6 -51.2 -57.6 27.0 17.8 59.8 115 135 A Y H X S+ 0 0 27 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.819 109.3 58.4 -66.5 -36.8 25.0 14.9 61.1 116 136 A L H <>S+ 0 0 0 -4,-2.1 5,-2.6 -5,-0.2 -1,-0.2 0.849 108.7 49.2 -63.9 -31.9 22.5 14.7 58.2 117 137 A K H ><5S+ 0 0 132 -4,-1.8 3,-1.1 -3,-0.2 -2,-0.2 0.941 112.5 45.3 -65.6 -52.0 25.5 14.2 56.0 118 138 A K H 3<5S+ 0 0 92 -4,-1.8 -2,-0.2 1,-0.3 41,-0.2 0.787 116.8 46.4 -58.8 -35.9 27.0 11.4 58.2 119 139 A F T 3<5S- 0 0 9 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.469 103.6-134.3 -83.5 -7.3 23.6 9.8 58.5 120 140 A S T < 5 - 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0 0 115 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.054 43.9-157.9 -49.5 146.8 16.4 -32.3 74.0 324 97 B R - 0 0 56 2,-0.1 6,-0.1 -3,-0.1 4,-0.0 -0.844 32.0-100.6-126.5 167.2 15.4 -29.5 76.4 325 98 B A S S+ 0 0 92 -2,-0.3 2,-0.3 4,-0.1 3,-0.0 0.713 105.1 27.8 -61.8 -26.3 12.9 -29.1 79.2 326 99 B M S > S- 0 0 89 1,-0.1 3,-0.8 0, 0.0 4,-0.4 -0.979 73.4-127.0-135.3 151.1 10.3 -27.2 77.1 327 100 B K G > S+ 0 0 138 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.802 108.3 65.8 -62.8 -30.7 9.6 -27.0 73.3 328 101 B Q G 3 S+ 0 0 80 1,-0.2 -1,-0.2 13,-0.1 15,-0.1 0.842 99.4 50.8 -57.0 -37.1 10.0 -23.2 73.5 329 102 B W G < S+ 0 0 22 -3,-0.8 2,-1.6 1,-0.2 -1,-0.2 0.554 85.3 91.3 -84.6 -8.7 13.7 -23.6 74.3 330 103 B E S < S+ 0 0 64 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 -0.477 80.3 60.8 -89.2 64.7 14.3 -25.9 71.4 331 104 B R S S- 0 0 73 -2,-1.6 2,-0.3 -14,-0.1 -11,-0.1 -0.954 96.2 -75.2-168.8 169.2 15.3 -23.2 68.9 332 105 B D - 0 0 65 -2,-0.3 2,-0.3 -13,-0.1 -14,-0.2 -0.639 54.2-172.4 -74.7 133.5 17.8 -20.4 68.3 333 106 B L E -Q 317 0G 8 -16,-1.4 -16,-2.8 -2,-0.3 2,-0.2 -0.922 20.6-134.9-128.7 152.9 17.0 -17.4 70.5 334 107 B T E > -Q 316 0G 30 -2,-0.3 4,-2.4 -18,-0.2 5,-0.3 -0.459 46.2 -91.0 -89.9 175.6 18.2 -13.9 70.8 335 108 B L H > S+ 0 0 5 -20,-0.6 4,-2.1 -22,-0.5 5,-0.2 0.951 131.4 47.9 -53.7 -51.9 19.0 -12.4 74.3 336 109 B R H > S+ 0 0 25 -23,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.815 110.5 54.7 -56.9 -31.5 15.4 -11.1 74.6 337 110 B G H > S+ 0 0 16 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.965 108.1 44.8 -68.8 -54.9 14.1 -14.5 73.5 338 111 B A H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-0.3 0.834 117.3 48.4 -56.2 -36.7 15.9 -16.5 76.1 339 112 B I H ><5S+ 0 0 1 -4,-2.1 3,-0.5 -5,-0.3 -2,-0.2 0.934 112.8 46.0 -67.5 -47.1 14.8 -13.9 78.7 340 113 B Q H 3<5S+ 0 0 48 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.791 122.3 35.2 -72.3 -29.1 11.1 -13.9 77.5 341 114 B V T 3<5S- 0 0 25 -4,-2.4 -1,-0.2 -5,-0.1 3,-0.2 0.366 106.6-126.5-100.8 1.0 10.8 -17.7 77.4 342 115 B S T < 5 - 0 0 16 -3,-0.5 2,-1.6 -4,-0.3 -3,-0.2 0.936 28.5-163.5 49.9 57.5 13.1 -18.1 80.4 343 116 B A >>< - 0 0 0 -5,-2.3 4,-1.3 1,-0.2 3,-0.7 -0.541 6.1-171.2 -77.7 89.7 15.4 -20.6 78.6 344 117 B V H >> S+ 0 0 34 -2,-1.6 4,-2.8 1,-0.2 3,-0.8 0.892 78.4 53.7 -46.7 -60.4 17.2 -22.1 81.5 345 118 B P H 3> S+ 0 0 25 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.843 105.5 56.7 -46.2 -40.2 19.9 -24.1 79.6 346 119 B V H <> S+ 0 0 4 -3,-0.7 4,-1.5 1,-0.2 -2,-0.2 0.900 114.1 37.0 -62.4 -43.1 20.9 -20.9 77.7 347 120 B F H S+ 0 0 106 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.920 122.5 50.8 -67.8 -50.5 32.0 -18.8 90.3 357 130 B V H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.955 117.4 40.3 -51.2 -56.3 34.7 -16.1 91.1 358 131 B R H > S+ 0 0 90 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.824 116.2 50.6 -65.7 -33.7 33.3 -13.6 88.6 359 132 B M H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.913 111.4 48.2 -69.5 -43.2 29.7 -14.4 89.5 360 133 B Q H X S+ 0 0 67 -4,-3.3 4,-1.4 -5,-0.2 -2,-0.2 0.864 112.3 51.4 -58.6 -39.0 30.4 -14.0 93.2 361 134 B K H X S+ 0 0 93 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.943 111.0 44.2 -68.3 -50.2 32.2 -10.7 92.3 362 135 B Y H X S+ 0 0 26 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.876 112.0 52.1 -66.7 -37.7 29.4 -9.2 90.3 363 136 B L H X>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 4,-0.5 0.816 109.7 51.0 -68.0 -29.9 26.6 -10.2 92.7 364 137 B K H ><5S+ 0 0 145 -4,-1.4 3,-1.0 -5,-0.2 -2,-0.2 0.939 111.5 47.7 -65.0 -48.7 28.7 -8.5 95.5 365 138 B K H 3<5S+ 0 0 98 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.908 116.2 44.3 -54.2 -45.3 28.9 -5.4 93.2 366 139 B F H 3<5S- 0 0 9 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.437 102.0-130.3 -82.9 -7.7 25.1 -5.6 92.6 367 140 B S T <<5 + 0 0 72 -3,-1.0 2,-1.1 -4,-0.5 -3,-0.2 0.868 40.5 179.3 51.3 45.8 24.1 -6.3 96.3 368 141 B Y > < - 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