>Q66EV7_DEOD_YERPS_Purine_nucleoside_phosphorylase_deoD_type___Y.1.1 (239 aa), hit 1 alignment 1 # Hit sequence name .............. 1PW7.C # Hit sequence comment ........... TRANSFERASE # Hit sequence length ............ 237 # Hit entry resolution ........... 2.00 # Alignment length ............... 236 # Alignment interval in query .... 2-237 # Alignment interval in hit ...... 1-236 # BLAST score .................... 433 # BLAST exp value ................ e-122 # BLAST ident regime ............. 216/236=91% # # Column 1 ...................... Q#, query residue # # Column 2 ...................... QA, query annotation # Column 3 ...................... Q, query residue # Column 4 ...................... I, identity # Column 5 ...................... H, hit residue # Column 6 ...................... S, secondary structure # Column 7 ...................... ACC, solvent accessibility # Column 8 ...................... H#, hit residue # # Column 9 ...................... H#C, hit residue # native # Column 10 ...................... X, atomic coordinate x # Column 11 ...................... Y, atomic coordinate y # Column 12 ...................... Z, atomic coordinate z # Column 13 ...................... K, KAPPA # Column 14 ...................... t, t # Column 15 ...................... T, TAV # Column 16 ...................... Phi, torsion angle # Column 17 ...................... Psi, torsion angle # Column 18 ...................... Bfact, B factor # Column 19 ...................... Occ, occupancy # # /Q66EV7_DEOD_YERPS_Purine_nucleoside_phosphorylase_deoD_type___Y/1/1/91/2.00/e-122/237/236/2/237/42/1PW7.C/ # # Q# A Q I H S ACC H# H#C X Y Z K t T Phi Psi Bfact Occ # ------------------------------------------------------------------------------------------------------------------------ 2 . A = A . 73 1 1 56.879 36.886 53.329 (undef) (undef) (undef) (undef) 140.3700 33.52 1.00 3 . T = T B 16 2 2 59.095 38.008 50.441 (undef) 0.01 -0.46 -104.1648 167.6691 28.38 1.00 4 . P = P T 112 3 3 60.994 41.308 49.986 0.36 0.55 0.23 -48.5857 -29.7600 24.17 1.00 5 C H = H T 39 4 4 58.012 42.890 48.178 0.32 0.20 0.37 -121.7435 3.7239 22.80 1.00 6 . I = I B 0 5 5 55.036 40.810 49.354 0.24 0.70 -0.30 -136.7934 114.2161 25.60 1.00 7 . N = N . 98 6 6 53.912 40.526 52.972 0.33 0.05 0.42 -90.3855 90.1112 29.49 1.00 8 . A = A . 4 7 7 52.027 37.226 52.937 0.17 0.23 -0.42 -161.2818 172.1462 27.15 1.00 9 . E = E . 109 8 8 52.500 33.532 53.701 0.21 0.10 -0.39 -122.4972 157.5080 30.91 1.00 10 . M = M T 126 9 9 52.300 30.362 51.608 0.32 0.44 0.29 -48.9520 128.9822 29.90 1.00 11 . G = G T 40 10 10 48.618 29.683 51.046 0.34 0.07 0.53 109.7801 -23.7429 28.32 1.00 12 . D = D S 38 11 11 47.376 33.278 50.897 0.36 0.24 0.37 -69.1292 -26.4917 29.47 1.00 13 8 F = F S 6 12 12 47.395 33.303 47.079 0.24 0.26 -0.44 -105.2545 151.5788 26.64 1.00 14 . A = A . 2 13 13 45.524 30.915 44.786 0.27 0.13 -0.50 -75.9580 176.5696 24.88 1.00 15 . D = D S 62 14 14 47.534 28.792 42.333 0.38 0.28 0.38 -80.9535 -6.9837 27.45 1.00 16 . V = V E 2 15 15 46.375 31.161 39.573 0.25 0.77 -0.11 -127.7588 132.6859 24.42 1.00 17 . V = V E 0 16 16 46.826 34.948 39.712 0.23 0.61 -0.33 -130.7860 127.6010 24.16 1.00 18 a L = L E 1 17 17 45.429 37.611 37.362 0.29 0.77 -0.21 -91.9307 139.2862 24.78 1.00 19 2 M = M E 1 18 18 47.588 40.731 37.128 0.22 0.83 0.01 -136.7404 114.0631 22.37 1.00 20 . P = P . 0 19 19 46.802 44.202 35.770 0.27 0.29 -0.47 -96.1246 165.5016 21.84 1.00 21 C G = G S 14 20 20 49.523 46.846 35.914 0.37 0.15 0.46 -73.4093 -38.2322 22.53 1.00 22 C D = D . 75 21 21 47.333 49.171 37.994 0.28 0.69 -0.31 -82.2199 118.8892 24.51 1.00 23 C P = P H 28 22 22 46.800 48.062 41.637 0.37 0.32 0.52 -62.9350 -31.3970 25.11 1.00 24 . L = L H 107 23 23 43.582 50.065 41.785 0.38 0.37 0.50 -66.0366 -32.6775 30.47 1.00 25 C R = R H 49 24 24 42.308 47.980 38.876 0.37 0.35 0.51 -70.1667 -31.5298 34.66 1.00 26 . A = A H 0 25 25 43.098 44.803 40.829 0.37 0.41 0.49 -66.4078 -39.0186 31.94 1.00 27 . K = K H 82 26 26 40.918 46.068 43.674 0.37 0.38 0.49 -64.7616 -41.0046 35.61 1.00 28 . F . Y H 66 27 27 38.145 46.763 41.158 0.37 0.39 0.47 -61.5506 -41.8903 32.43 1.00 29 . I = I H 2 28 28 38.389 43.214 39.811 0.36 0.38 0.46 -64.9672 -38.2125 32.90 1.00 30 C A = A H 2 29 29 38.165 41.719 43.298 0.36 0.44 0.42 -65.7054 -47.2361 35.15 1.00 31 . E = E H 138 30 30 35.093 43.770 44.215 0.36 0.43 0.37 -66.5279 -35.0537 36.36 1.00 32 . T = T H 69 31 31 33.418 43.130 40.857 0.33 0.47 0.13 -87.2116 -27.5162 34.27 1.00 33 . F = F H 36 32 32 34.210 39.451 40.237 0.29 0.09 0.40 -123.4213 -20.6009 35.98 1.00 34 . L = L . 16 33 33 35.411 37.674 43.377 0.23 0.47 -0.39 -101.0657 148.2109 38.99 1.00 35 . Q . E E 118 34 34 33.405 36.406 46.340 0.25 0.51 0.05 -105.0094 138.1289 42.35 1.00 36 . D = D E 147 35 35 34.621 36.679 49.925 0.38 0.92 -0.09 59.1720 41.3642 43.92 1.00 37 . V . A E 44 36 36 37.552 38.692 48.592 0.28 0.84 -0.08 -73.9372 126.6280 41.78 1.00 38 . R = R E 136 37 37 40.182 39.595 51.179 0.22 0.17 -0.45 -126.4662 141.8509 40.76 1.00 39 . E = E E 101 38 38 43.293 41.786 50.850 0.29 0.80 0.09 -69.1392 131.3533 35.74 1.00 40 8 V = V E 11 39 39 46.529 39.786 51.035 0.33 0.34 0.15 -116.1122 -10.9138 33.66 1.00 41 . N = N E 2 40 40 49.125 42.471 50.246 0.18 0.72 0.30 -158.0127 144.9134 31.83 1.00 42 . N = N . 95 41 41 49.570 46.242 50.387 0.33 0.49 0.41 -148.0472 6.1975 33.56 1.00 43 . V = V G 45 42 42 53.370 46.633 50.497 0.30 0.62 -0.01 -57.3569 135.5679 26.63 1.00 44 C R = R G 198 43 43 54.420 49.601 48.314 0.39 0.15 -0.56 54.3579 15.6321 25.09 1.00 45 . G = G G 41 44 44 50.703 49.932 47.579 0.36 0.53 0.41 75.2705 12.4084 24.00 1.00 46 . M = M . 20 45 45 50.721 46.945 45.241 0.35 0.61 -0.35 -89.1918 78.3964 24.86 1.00 47 . L = L . 26 46 46 47.301 45.575 46.247 0.27 0.81 -0.05 -53.4123 131.4333 28.09 1.00 48 6 G = G E 0 47 47 46.683 41.833 46.046 0.23 0.82 -0.08 -133.1796 139.3044 27.75 1.00 49 . F = F E 19 48 48 43.445 39.915 46.719 0.18 0.69 -0.26 -134.9995 155.7627 28.26 1.00 50 . T = T E 11 49 49 42.215 36.318 46.938 0.23 0.26 0.42 -135.8066 135.6988 28.27 1.00 51 C G = G E 7 50 50 38.648 35.044 46.611 0.17 0.08 -0.36 -162.3544 -155.9325 29.28 1.00 52 . T = T E 36 51 51 36.518 32.669 44.552 0.20 0.79 -0.26 -129.6017 151.7780 29.48 1.00 53 . Y = Y E 31 52 52 34.917 32.782 41.118 0.30 0.53 -0.20 -130.8739 107.5633 30.21 1.00 54 . K = K T 142 53 53 32.190 30.174 40.794 0.38 0.41 -0.47 56.3849 44.4322 31.54 1.00 55 6 G = G T 67 54 54 33.748 28.285 43.684 0.36 0.32 0.47 79.2643 -3.4625 33.85 1.00 56 . R = R E 36 55 55 37.239 28.488 42.178 0.28 0.31 -0.46 -92.8691 126.0434 32.22 1.00 57 . K = K E 95 56 56 39.883 30.052 44.431 0.31 1.03 0.18 -69.9583 130.3460 30.55 1.00 58 . I = I E 2 57 57 41.508 32.963 42.584 0.19 0.64 -0.28 -146.8793 145.5097 31.66 1.00 59 . S = S E 0 58 58 43.890 35.853 43.344 0.21 0.75 -0.16 -119.1430 157.2060 25.87 1.00 60 . V = V E 1 59 59 44.438 39.221 41.654 0.23 0.71 0.23 -147.9282 128.2489 24.86 1.00 61 . M = M E 0 60 60 47.331 41.649 42.239 0.20 0.20 -0.43 -149.1970 139.0660 24.25 1.00 62 . G = G . 0 61 61 48.782 44.602 40.317 0.27 0.73 -0.24 -69.5959 158.7196 23.54 1.00 63 . H = H . 0 62 62 52.325 44.339 38.924 0.32 0.34 -0.44 -123.3579 3.0651 20.88 1.00 64 C G = G . 10 63 63 53.329 47.943 38.247 0.24 0.23 -0.30 76.6566 -179.8684 20.59 1.00 65 . M = M S 159 64 64 54.694 49.319 34.964 0.25 0.31 0.13 -100.9759 135.5500 18.97 1.00 66 C G = G S 6 65 65 57.630 47.817 33.077 0.18 0.05 -0.41 99.9780 154.2245 16.57 1.00 67 . I = I H 0 66 66 59.480 44.517 32.773 0.36 0.33 0.48 -60.5152 -43.7412 16.73 1.00 68 . P = P H 87 67 67 61.681 45.183 35.850 0.37 0.41 0.41 -60.7061 -35.0066 17.67 1.00 69 C S = S H 34 68 68 58.604 45.740 38.028 0.34 0.44 0.40 -74.4229 -51.5064 20.26 1.00 70 . C = C H 0 69 69 56.490 42.785 36.901 0.37 0.27 0.53 -66.8381 -24.6968 22.11 1.00 71 . S = S H 20 70 70 59.599 40.569 36.977 0.37 0.38 0.46 -66.2261 -34.1834 20.57 1.00 72 . I = I H 66 71 71 59.914 41.136 40.722 0.35 0.42 0.37 -66.6152 -53.9815 18.47 1.00 73 C Y = Y H 11 72 72 56.306 40.259 41.561 0.34 0.38 0.43 -63.7523 -43.4448 20.21 1.00 74 . A . T H 1 73 73 55.876 37.238 39.268 0.37 0.37 0.46 -67.3215 -37.2872 19.95 1.00 75 4 K = K H 71 74 74 59.145 35.719 40.493 0.36 0.40 0.44 -63.9842 -49.0951 19.73 1.00 76 C E = E H 12 75 75 58.222 36.049 44.194 0.36 0.38 0.47 -61.6629 -36.7042 21.45 1.00 77 C L = L H 0 76 76 54.760 34.543 43.589 0.36 0.41 0.41 -66.0758 -42.9245 21.66 1.00 78 . I = I H 22 77 77 56.221 31.550 41.758 0.34 0.44 0.32 -69.1053 -43.2185 21.50 1.00 79 4 T = T H 57 78 78 59.056 30.733 44.171 0.33 0.47 0.21 -86.9958 -26.3404 21.99 1.00 80 . D = D H 77 79 79 57.510 31.535 47.552 0.31 0.36 0.32 -120.0994 0.0025 25.95 1.00 81 . F = F S 5 80 80 53.731 31.279 47.106 0.32 0.26 -0.50 -131.1384 13.8742 24.45 1.00 82 . G = G . 29 81 81 53.175 28.214 44.944 0.36 0.76 0.20 59.6444 21.0055 21.67 1.00 83 . V = V . 4 82 82 51.607 30.169 42.061 0.30 0.79 0.04 -72.1723 127.7734 23.71 1.00 84 . K = K . 136 83 83 51.500 28.005 38.920 0.32 0.32 0.25 -104.7571 -25.9244 25.46 1.00 85 . K = K E 39 84 84 49.711 30.193 36.345 0.22 0.76 -0.15 -131.8223 132.4314 24.03 1.00 86 2 I = I E 3 85 85 49.973 33.934 35.759 0.25 0.78 -0.12 -122.3638 130.5058 22.23 1.00 87 . I = I E 1 86 86 47.606 35.874 33.517 0.27 0.63 -0.31 -123.7214 107.0410 22.51 1.00 88 C R = R E 8 87 87 48.440 39.491 32.768 0.30 0.77 -0.13 -78.2936 134.1339 22.51 1.00 89 . V = V E 0 88 88 45.323 41.506 31.957 0.30 0.29 0.38 -127.6380 93.0193 23.77 1.00 90 C G = G E 1 89 89 46.318 44.924 30.674 0.14 0.01 -0.38 -132.0442 -162.7869 26.50 1.00 91 . S = S E 43 90 90 46.039 47.583 27.984 0.22 0.88 -0.04 -113.4848 162.6260 30.37 1.00 92 1 C = C E 5 91 91 48.089 48.214 24.851 0.16 0.16 -0.42 -153.3195 169.9251 29.47 1.00 93 C G = G E 3 92 92 48.550 50.511 21.877 0.26 0.39 -0.42 -108.5502 140.5478 27.57 1.00 94 . A = A E 0 93 93 47.746 49.407 18.335 0.25 0.94 0.06 -94.0781 147.9738 27.53 1.00 95 . V = V . 1 94 94 50.069 49.979 15.407 0.34 0.04 0.47 -121.0423 -17.0137 31.50 1.00 96 . R . L S 17 95 95 48.036 48.178 12.724 0.27 0.47 -0.42 -92.5421 132.4917 33.41 1.00 97 . T . P T 79 96 96 45.260 50.173 10.963 0.36 0.34 0.47 -55.4793 -38.4210 37.64 1.00 98 . D . H T 112 97 97 42.847 47.231 11.062 0.36 0.02 0.51 -80.6225 2.7011 43.10 1.00 99 . V = V . 0 98 98 43.223 46.801 14.844 0.31 0.71 -0.31 -98.6963 118.0752 40.62 1.00 100 . K = K . 109 99 99 40.516 48.848 16.556 0.20 0.05 -0.40 -99.1798 162.3058 40.92 1.00 101 . L = L T 32 100 100 40.073 50.408 19.977 0.28 0.51 0.16 -56.4101 147.9157 39.68 1.00 102 . R = R T 106 101 101 38.827 48.034 22.680 0.37 0.58 0.38 61.4185 14.6668 38.54 1.00 103 . D = D . 36 102 102 39.842 45.051 20.544 0.28 0.30 -0.45 -72.1129 153.7621 35.37 1.00 104 . V = V E 8 103 103 41.016 42.013 22.529 0.27 0.80 -0.13 -105.7369 128.2032 31.25 1.00 105 . V = V E 0 104 104 44.468 40.589 21.792 0.22 0.66 -0.29 -123.7709 138.7573 28.57 1.00 106 . I = I E 0 105 105 46.113 37.378 22.997 0.28 0.50 -0.39 -113.4576 116.3173 26.10 1.00 107 . G = G E 0 106 106 49.909 37.332 22.989 0.30 0.83 0.19 -83.7708 95.3039 24.38 1.00 108 . M = M E 95 107 107 51.127 33.915 21.933 0.39 0.41 0.12 -72.0695 -26.0775 24.75 1.00 109 . G = G E 7 108 108 54.494 35.629 21.607 0.19 0.57 -0.34 -140.1561 164.7480 20.62 1.00 110 . A = A E 9 109 109 56.195 38.833 22.732 0.23 0.71 -0.23 -145.6447 115.9881 19.40 1.00 111 . C = C E 44 110 110 58.940 40.837 20.981 0.27 2.02 -0.02 -82.2416 165.7591 17.98 1.00 112 . T = T E 40 111 111 60.987 43.342 22.996 0.15 0.47 -0.31 -165.7323 158.0854 17.79 1.00 113 . D = D S 86 112 112 63.755 45.946 23.034 0.37 0.18 0.48 -111.4578 13.1814 20.02 1.00 114 . S = S . 12 113 113 64.735 44.990 26.583 0.26 0.50 -0.40 -82.5053 158.7332 18.63 1.00 115 3 K = K S 84 114 114 68.021 43.199 27.297 0.35 0.08 0.52 -100.1014 -1.2593 17.58 1.00 116 . V = V H 37 115 115 66.671 40.857 30.011 0.35 0.43 0.40 -56.5276 -42.7460 16.67 1.00 117 . N = N H 11 116 116 66.209 37.791 27.811 0.36 0.35 0.50 -74.8979 -28.1889 16.13 1.00 118 . R = R H 133 117 117 69.585 38.312 26.083 0.38 0.38 0.51 -70.3408 -32.5014 19.01 1.00 119 . M . I H 105 118 118 71.148 38.316 29.537 0.38 0.46 0.41 -68.3317 -33.8046 19.18 1.00 120 . R = R H 87 119 119 69.413 34.982 30.214 0.35 0.36 0.38 -79.5649 -34.6044 18.94 1.00 121 . F = F T 101 120 120 70.079 33.398 26.810 0.33 0.09 -0.52 -105.7406 38.1244 18.76 1.00 122 . K = K T 179 121 121 73.805 34.142 26.235 0.36 0.30 -0.49 48.6187 40.7978 20.43 1.00 123 . D = D T 65 122 122 73.039 37.107 23.963 0.36 0.24 0.45 67.1769 17.2338 21.96 1.00 124 3 H = H S 68 123 123 71.063 34.993 21.493 0.22 0.08 -0.40 -101.8069 -175.0419 18.08 1.00 125 . D = D . 140 124 124 67.393 35.192 20.458 0.29 0.77 -0.12 -91.5391 110.8290 18.21 1.00 126 . Y . F . 68 125 125 65.023 33.641 23.002 0.30 0.43 -0.43 -99.4509 121.5653 18.28 1.00 127 . A = A . 73 126 126 61.469 33.436 21.613 0.33 0.56 -0.37 -79.1635 103.0708 18.51 1.00 128 8 A = A . 6 127 127 59.398 34.684 24.562 0.33 1.07 0.21 -73.8603 102.3950 18.32 1.00 129 . I = I B 109 128 128 56.195 32.644 24.254 0.19 0.28 -0.42 -119.3294 158.2488 20.57 1.00 130 . A = A . 12 129 129 53.101 31.941 26.356 0.24 0.07 -0.42 -88.7207 171.5573 21.68 1.00 131 . D = D . 39 130 130 51.861 28.503 27.434 0.31 0.48 -0.41 -75.1631 127.3326 23.74 1.00 132 . F = F H 124 131 131 49.951 26.919 24.524 0.35 0.36 0.45 -55.8143 -45.9754 24.33 1.00 133 . E . D H 75 132 132 47.151 25.421 26.625 0.37 0.40 0.48 -60.8592 -40.2979 25.41 1.00 134 . M = M H 4 133 133 46.512 28.756 28.319 0.37 0.39 0.48 -65.6593 -36.2561 20.97 1.00 135 . T . V H 7 134 134 46.361 30.452 24.912 0.37 0.44 0.44 -64.6809 -47.9912 23.75 1.00 136 5 R = R H 113 135 135 43.839 27.892 23.635 0.37 0.34 0.49 -64.3000 -36.7164 29.80 1.00 137 . N = N H 21 136 136 41.805 28.151 26.851 0.37 0.42 0.45 -61.5630 -44.5176 28.80 1.00 138 . A = A H 0 137 137 41.506 31.937 26.364 0.36 0.37 0.47 -65.6606 -36.2095 28.74 1.00 139 . V = V H 56 138 138 40.511 31.574 22.709 0.36 0.44 0.43 -66.1865 -48.0075 30.44 1.00 140 5 D = D H 82 139 139 37.744 29.091 23.570 0.36 0.37 0.48 -62.8803 -45.2845 31.79 1.00 141 . A = A H 3 140 140 36.515 31.146 26.514 0.37 0.41 0.48 -57.0218 -46.4085 32.16 1.00 142 . A = A H 2 141 141 36.313 34.187 24.243 0.37 0.37 0.48 -59.2528 -40.7977 32.88 1.00 143 . K = K H 168 142 142 34.387 32.138 21.685 0.37 0.38 0.48 -60.8064 -47.9229 37.17 1.00 144 . A = A H 90 143 143 31.858 31.022 24.288 0.37 0.41 0.47 -61.6121 -29.6999 38.57 1.00 145 . K . L T 73 144 144 31.304 34.640 25.341 0.37 0.30 -0.51 -89.3689 -4.7240 38.84 1.00 146 . G = G T 63 145 145 30.880 35.714 21.739 0.37 0.47 0.42 74.9134 15.4473 41.97 1.00 147 . V . I . 33 146 146 33.822 38.098 22.051 0.26 0.35 -0.43 -97.3502 136.0884 44.98 1.00 148 . N . D . 140 147 147 36.356 38.375 19.229 0.26 0.85 0.02 -76.6906 162.9267 48.93 1.00 149 . V . A . 34 148 148 40.107 38.084 19.879 0.20 0.49 -0.38 -170.2012 123.7944 43.16 1.00 150 . R = R E 90 149 149 43.245 38.184 17.710 0.27 0.58 -0.34 -89.5781 139.2539 35.85 1.00 151 . V = V E 64 150 150 46.100 35.833 18.624 0.27 0.06 0.35 -111.6528 127.0964 26.57 1.00 152 . G = G E 15 151 151 49.671 36.878 17.870 0.14 0.30 -0.08 177.6378 -152.5953 24.42 1.00 153 . N = N E 67 152 152 52.781 38.875 18.770 0.24 0.75 -0.16 -86.5816 140.3579 22.07 1.00 154 . L = L E 0 153 153 52.908 41.729 21.264 0.24 0.39 -0.42 -112.0727 170.6878 20.01 1.00 155 . F = F E 9 154 154 55.851 44.113 21.677 0.27 0.62 -0.32 -131.2151 116.9132 18.35 1.00 156 . S = S E 0 155 155 57.111 44.840 25.186 0.30 0.75 -0.23 -92.8970 109.8204 18.46 1.00 157 . A = A . 9 156 156 58.735 48.291 25.239 0.23 0.78 -0.30 -95.6618 145.2027 19.31 1.00 158 . D = D S 70 157 157 61.088 49.680 27.873 0.37 0.27 0.39 -87.1272 -29.7339 18.46 1.00 159 . L = L . 98 158 158 60.296 53.252 26.837 0.26 1.06 -0.07 -114.3386 109.7935 18.23 1.00 160 a F = F S 145 159 159 56.688 54.466 26.791 0.39 0.43 0.44 -63.3699 -38.3880 19.12 1.00 161 C Y = Y S 202 160 160 58.134 57.703 25.401 0.34 0.86 -0.12 -105.7952 80.0492 20.81 1.00 162 . T . S . 44 161 161 60.503 56.255 22.789 0.26 0.65 -0.35 -79.1206 139.0454 24.41 1.00 163 . P = P S 90 162 162 62.966 58.470 20.892 0.38 0.13 0.50 -85.7064 -0.0006 26.10 1.00 164 . D = D . 76 163 163 62.767 55.998 17.982 0.31 0.74 0.23 -113.4459 77.5795 30.65 1.00 165 . P . G T 42 164 164 59.431 56.577 16.266 0.37 0.19 0.54 -64.9424 -25.7039 29.55 1.00 166 . Q . E T 114 165 165 60.649 54.739 13.166 0.37 0.19 0.54 -61.5210 -29.3603 30.78 1.00 167 . M = M H 59 166 166 60.523 51.448 15.095 0.37 0.24 0.54 -59.3248 -27.4097 25.56 1.00 168 . F = F H 39 167 167 56.710 51.589 15.022 0.38 0.37 0.51 -64.8165 -28.6069 25.92 1.00 169 . D = D H 74 168 168 56.912 51.141 11.227 0.38 0.41 0.47 -69.4458 -36.9823 24.85 1.00 170 . V = V H 48 169 169 59.003 48.022 11.850 0.36 0.39 0.47 -69.4565 -41.2198 21.84 1.00 171 . M = M H 9 170 170 56.509 46.689 14.415 0.37 0.42 0.45 -60.4222 -52.0994 21.73 1.00 172 . E = E H 59 171 171 53.629 47.272 11.992 0.37 0.34 0.49 -55.4150 -47.5314 24.04 1.00 173 . K = K H 143 172 172 55.532 45.644 9.160 0.37 0.42 0.44 -56.7914 -36.5089 23.88 1.00 174 . Y = Y T 147 173 173 56.044 42.506 11.211 0.35 0.15 -0.52 -94.6675 15.8190 22.97 1.00 175 . G = G T 33 174 174 52.445 42.257 12.408 0.33 0.79 0.03 72.9656 27.1590 22.84 1.00 176 . I = I . 5 175 175 52.711 43.367 16.033 0.31 0.73 -0.22 -64.9977 126.0364 22.16 1.00 177 . L = L . 19 176 176 49.177 43.350 17.442 0.35 0.37 0.04 -81.5729 -33.8123 24.10 1.00 178 . G = G E 0 177 177 49.797 45.471 20.498 0.17 0.44 -0.39 -155.5347 146.7736 24.51 1.00 179 . V = V E 20 178 178 52.458 47.556 22.199 0.28 0.47 0.39 -106.7796 114.9858 22.91 1.00 180 . E = E E 7 179 179 52.686 47.141 25.964 0.20 0.22 -0.43 -131.4700 -156.0667 22.11 1.00 181 C M = M S 32 180 180 55.506 46.929 28.558 0.30 0.33 0.26 -140.7135 27.7925 21.10 1.00 182 C E = E S 11 181 181 55.511 43.550 30.299 0.26 0.00 0.47 -144.7750 -38.6652 17.45 1.00 183 . A = A H 0 182 182 54.760 40.395 28.294 0.34 0.36 0.44 -37.6087 -58.1618 17.67 1.00 184 . A = A H 0 183 183 58.319 39.530 27.211 0.37 0.40 0.44 -55.6361 -35.9574 16.79 1.00 185 . G = G H 0 184 184 59.563 39.840 30.786 0.35 0.39 0.45 -73.0332 -44.8922 17.17 1.00 186 . I = I H 2 185 185 56.785 37.764 32.364 0.37 0.40 0.48 -61.1995 -40.4710 19.72 1.00 187 . Y = Y H 4 186 186 57.375 35.035 29.771 0.37 0.38 0.48 -67.0462 -32.5979 20.01 1.00 188 . G = G H 2 187 187 61.098 35.095 30.567 0.36 0.43 0.44 -69.7403 -41.4806 15.45 1.00 189 . V = V H 2 188 188 60.450 34.696 34.306 0.37 0.33 0.50 -65.9503 -43.4736 16.76 1.00 190 . A = A H 10 189 189 57.925 31.899 33.668 0.37 0.46 0.41 -54.2939 -46.0613 19.94 1.00 191 . A = A H 65 190 190 60.603 29.955 31.780 0.35 0.37 0.43 -69.6350 -40.5848 18.70 1.00 192 . E = E H 108 191 191 63.416 30.725 34.247 0.35 0.49 0.30 -68.5539 -38.7942 18.75 1.00 193 . F = F H 70 192 192 61.499 29.762 37.399 0.34 0.16 -0.49 -104.1109 6.3576 21.22 1.00 194 . G = G T 66 193 193 59.283 27.015 35.981 0.30 0.18 0.43 72.9033 56.3374 23.23 1.00 195 . A = A . 23 194 194 55.684 28.239 35.712 0.19 0.11 -0.42 -138.9722 -173.9724 23.93 1.00 196 . K = K E 101 195 195 53.138 29.062 32.992 0.23 0.97 0.04 -122.3991 144.5605 22.89 1.00 197 . A = A E 4 196 196 51.969 32.479 31.768 0.15 0.86 -0.05 -145.7499 162.6114 21.79 1.00 198 . L = L E 0 197 197 49.765 34.370 29.301 0.20 0.55 -0.35 -156.7390 142.8603 22.29 1.00 199 . T = T E 0 198 198 49.159 38.042 28.512 0.25 0.78 -0.05 -118.8593 128.5534 21.90 1.00 200 . I = I E 0 199 199 45.780 39.361 27.347 0.26 0.93 -0.00 -121.1226 136.7182 24.44 1.00 201 . C = C E 0 200 200 45.313 43.020 26.395 0.18 0.53 -0.37 -137.0503 157.4211 28.53 1.00 202 . T = T E 3 201 201 42.584 45.341 25.177 0.27 0.16 -0.48 -122.1693 128.8426 31.68 1.00 203 1 V = V E 1 202 202 43.565 48.114 22.765 0.32 0.79 0.08 -60.9011 104.6523 34.77 1.00 204 7 S = S E 17 203 203 43.277 51.284 24.864 0.35 0.36 -0.03 -87.2159 -17.3588 40.96 1.00 205 . D = D E 36 204 204 44.666 53.594 22.188 0.15 0.14 -0.41 -164.9296 170.9354 45.09 1.00 206 . H = H E 10 205 205 46.194 53.874 18.732 0.27 0.59 -0.37 -114.6655 123.4486 45.67 1.00 207 . I = I T 34 206 206 49.878 54.813 18.477 0.37 0.46 0.32 -53.8132 -44.2717 44.68 1.00 208 . R = R T 89 207 207 49.278 56.676 15.195 0.31 0.42 0.37 -74.3007 -71.8605 53.90 1.00 209 . T = T T 84 208 208 45.823 58.247 15.448 0.38 0.51 -0.44 -54.8497 -15.3391 65.15 1.00 210 . G . H . 148 209 209 46.630 59.168 19.035 0.39 0.61 0.38 55.7848 30.8632 76.55 1.00 211 . E = E . 106 210 210 43.052 58.139 19.813 0.28 1.37 -0.11 -94.3281 145.2087 85.21 1.00 212 . Q = Q B 119 211 211 42.481 56.646 23.278 0.16 0.21 -0.28 -139.9259 171.2177 91.94 1.00 213 . T = T . 57 212 212 39.913 55.014 25.579 0.28 1.05 0.21 -42.4077 144.9297 93.88 1.00 214 . T = T . 93 213 213 36.675 56.964 26.046 0.16 0.32 0.02 -152.4501 176.5012 90.94 1.00 215 . A = A T 67 214 214 33.111 56.848 27.393 0.27 0.32 -0.36 37.9924 -152.5809 86.68 1.00 216 . A = A T 68 215 215 31.950 53.730 29.246 0.37 0.06 0.56 -93.0178 9.0322 82.83 1.00 217 . E = E H 85 216 216 33.322 51.491 26.486 0.39 0.24 0.53 -65.9118 -28.7786 78.79 1.00 218 C R = R H 150 217 217 36.385 51.181 28.714 0.36 0.42 0.39 -58.3318 -50.0012 74.59 1.00 219 . Q = Q H 105 218 218 34.559 49.339 31.509 0.35 0.40 0.43 -65.2672 -51.2939 67.78 1.00 220 . T = T H 74 219 219 32.545 46.967 29.315 0.37 0.44 0.43 -55.8522 -50.2434 62.73 1.00 221 . T = T H 4 220 220 35.627 46.097 27.268 0.36 0.42 0.46 -61.1925 -49.1412 56.75 1.00 222 7 F = F H 30 221 221 37.837 45.723 30.326 0.38 0.38 0.50 -60.7455 -36.5326 51.67 1.00 223 . N = N H 20 222 222 35.139 43.571 31.921 0.37 0.35 0.49 -68.2168 -28.9783 42.57 1.00 224 . D = D H 29 223 223 35.093 41.358 28.809 0.37 0.38 0.48 -69.9886 -40.7103 39.08 1.00 225 C M = M H 0 224 224 38.846 40.757 29.092 0.37 0.41 0.47 -59.3034 -47.1607 33.41 1.00 226 . I = I H 4 225 225 38.405 39.715 32.732 0.37 0.36 0.49 -61.2809 -39.4669 31.84 1.00 227 . E . K H 67 226 226 35.528 37.368 31.803 0.37 0.41 0.46 -60.7387 -46.2928 33.06 1.00 228 . I = I H 0 227 227 37.753 35.669 29.235 0.36 0.39 0.43 -59.7250 -47.9647 27.85 1.00 229 . A = A H 0 228 228 40.630 35.309 31.711 0.35 0.43 0.40 -58.8732 -56.5152 25.99 1.00 230 C L = L H 1 229 229 38.544 33.914 34.577 0.36 0.42 0.44 -58.8103 -45.9858 27.74 1.00 231 . E = E H 37 230 230 36.564 31.586 32.326 0.37 0.30 0.51 -66.1383 -35.7657 30.84 1.00 232 . S = S H 4 231 231 39.749 30.392 30.572 0.38 0.35 0.50 -62.4980 -30.0246 30.60 1.00 233 . V = V H 1 232 232 41.016 29.164 33.941 0.37 0.36 0.49 -69.0504 -40.3562 30.33 1.00 234 . L = L H 43 233 233 37.891 27.057 34.449 0.37 0.42 0.49 -62.0969 -41.2923 31.03 1.00 235 . L = L H 63 234 234 38.430 25.376 31.077 0.38 0.35 0.51 -63.3896 -39.4157 32.75 1.00 236 . G = G H 27 235 235 42.013 24.803 32.148 0.37 0.36 0.48 -61.6714 -36.5495 32.44 1.00 237 . D = D H 80 236 236 40.899 23.003 35.306 0.36 (undef) (undef) -69.6426 -29.4083 36.80 1.00 //