REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1o4x_1_A DATA FIRST_RESID 5 DATA SEQUENCE EEPSDLEELE QFAKTFKQRR IKLGFTQGDV GLAMGKLYGN DFSQTTISRF DATA SEQUENCE EALNLSFKNM AKLKPLLEKW LNDAEXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXSIETN IRVALEKSFL ENQKPTSEEI TMIADQLNME KEVIRVWFCN DATA SEQUENCE RRQKEKRIN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 E HA 0.000 4.365 4.350 0.025 0.000 0.291 5 E C 0.000 176.613 176.600 0.022 0.000 1.382 5 E CA 0.000 56.412 56.400 0.019 0.000 0.976 5 E CB 0.000 29.709 29.700 0.015 0.000 0.812 6 E N 3.689 123.904 120.200 0.026 0.000 2.206 6 E HA 0.156 4.517 4.350 0.017 0.000 0.195 6 E C -1.352 175.263 176.600 0.026 0.000 0.935 6 E CA -0.068 56.344 56.400 0.020 0.000 0.875 6 E CB 0.069 29.776 29.700 0.012 0.000 0.841 6 E HN 0.279 8.657 8.360 0.029 0.000 0.477 7 P HA 0.003 4.426 4.420 0.004 0.000 0.270 7 P C -0.950 176.397 177.300 0.079 0.000 1.223 7 P CA -0.516 62.608 63.100 0.040 0.000 0.785 7 P CB 0.431 32.163 31.700 0.053 0.000 0.923 8 S N 2.246 117.980 115.700 0.057 0.000 2.546 8 S HA -0.226 4.499 4.470 0.069 -0.214 0.290 8 S C 0.087 174.820 174.600 0.221 0.000 1.290 8 S CA 0.575 58.828 58.200 0.090 0.000 1.069 8 S CB 0.740 63.959 63.200 0.031 0.000 0.846 8 S HN 0.091 8.402 8.310 0.001 0.000 0.495 9 D N 5.445 125.933 120.400 0.147 0.000 2.451 9 D HA 0.110 4.801 4.640 0.086 0.000 0.259 9 D C 0.835 177.211 176.300 0.126 0.000 1.201 9 D CA -1.031 53.025 54.000 0.093 0.000 1.028 9 D CB 0.547 41.343 40.800 -0.008 0.000 1.095 9 D HN 0.289 9.092 8.370 0.094 -0.376 0.539 10 L N -0.376 120.836 121.223 -0.018 0.000 2.042 10 L HA -0.343 4.089 4.340 0.154 0.000 0.210 10 L C 1.334 178.230 176.870 0.042 0.000 1.076 10 L CA 3.974 58.830 54.840 0.027 0.000 0.749 10 L CB -0.127 41.882 42.059 -0.084 0.000 0.893 10 L HN 0.157 8.281 8.230 -0.177 0.000 0.432 11 E N -1.292 118.919 120.200 0.018 0.000 2.110 11 E HA -0.307 4.289 4.350 0.021 -0.233 0.193 11 E C 3.049 179.682 176.600 0.055 0.000 0.988 11 E CA 3.041 59.457 56.400 0.027 0.000 0.804 11 E CB -0.251 29.457 29.700 0.014 0.000 0.745 11 E HN 0.230 8.623 8.360 -0.006 -0.037 0.458 12 E N -0.007 120.235 120.200 0.070 0.000 2.106 12 E HA -0.284 4.123 4.350 0.094 0.000 0.192 12 E C 2.577 179.257 176.600 0.133 0.000 0.984 12 E CA 2.623 59.081 56.400 0.096 0.000 0.806 12 E CB -0.076 29.676 29.700 0.087 0.000 0.750 12 E HN 0.473 9.379 8.360 0.062 -0.509 0.458 13 L N -0.237 121.056 121.223 0.118 0.000 2.093 13 L HA -0.348 4.070 4.340 0.130 0.000 0.208 13 L C 1.817 178.743 176.870 0.094 0.000 1.085 13 L CA 3.195 58.097 54.840 0.105 0.000 0.755 13 L CB -0.314 41.785 42.059 0.067 0.000 0.904 13 L HN 0.192 8.493 8.230 0.118 0.000 0.435 14 E N -1.637 118.599 120.200 0.060 0.000 2.110 14 E HA -0.465 3.879 4.350 -0.010 0.000 0.193 14 E C 2.465 179.106 176.600 0.069 0.000 0.988 14 E CA 3.314 59.733 56.400 0.032 0.000 0.804 14 E CB -0.351 29.361 29.700 0.021 0.000 0.745 14 E HN -0.138 8.260 8.360 0.063 0.000 0.458 15 Q N -0.024 119.838 119.800 0.103 0.000 2.083 15 Q HA -0.218 4.167 4.340 0.075 0.000 0.198 15 Q C 1.946 178.040 176.000 0.157 0.000 0.969 15 Q CA 2.360 58.230 55.803 0.110 0.000 0.838 15 Q CB -0.492 28.311 28.738 0.108 0.000 0.900 15 Q HN -0.521 7.704 8.270 0.105 0.108 0.436 16 F N 1.242 121.244 119.950 0.086 0.000 2.126 16 F HA -0.425 4.196 4.527 0.158 0.000 0.299 16 F C 0.901 176.829 175.800 0.214 0.000 1.096 16 F CA 3.373 61.462 58.000 0.150 0.000 1.255 16 F CB -0.094 38.997 39.000 0.151 0.000 0.997 16 F HN 0.096 8.600 8.300 0.339 0.000 0.479 17 A N -1.321 121.638 122.820 0.232 0.000 1.902 17 A HA -0.482 4.006 4.320 0.281 0.000 0.217 17 A C 1.436 179.083 177.584 0.105 0.000 1.181 17 A CA 3.661 55.781 52.037 0.137 0.000 0.623 17 A CB -0.928 18.041 19.000 -0.052 0.000 0.818 17 A HN 0.485 8.792 8.150 0.261 0.000 0.443 18 K N -1.247 119.192 120.400 0.064 0.000 2.002 18 K HA -0.299 4.054 4.320 0.056 0.000 0.209 18 K C 2.360 178.982 176.600 0.038 0.000 1.048 18 K CA 2.940 59.258 56.287 0.051 0.000 0.930 18 K CB -0.521 32.003 32.500 0.040 0.000 0.714 18 K HN -0.425 7.779 8.250 0.068 0.088 0.438 19 T N 3.338 117.891 114.554 -0.003 0.000 2.684 19 T HA -0.369 4.128 4.350 -0.019 -0.158 0.267 19 T C 1.822 176.484 174.700 -0.063 0.000 1.036 19 T CA 4.805 66.878 62.100 -0.045 0.000 1.148 19 T CB -0.010 68.810 68.868 -0.080 0.000 0.863 19 T HN -0.086 8.156 8.240 0.002 0.000 0.436 20 F N 2.571 122.344 119.950 -0.296 0.000 2.095 20 F HA -0.513 3.917 4.527 -0.161 0.000 0.298 20 F C 1.073 176.869 175.800 -0.008 0.000 1.104 20 F CA 3.987 61.864 58.000 -0.206 0.000 1.232 20 F CB 0.077 38.893 39.000 -0.307 0.000 0.987 20 F HN 0.509 8.607 8.300 -0.152 0.110 0.475 21 K N -0.763 119.786 120.400 0.248 0.000 2.097 21 K HA -0.404 4.185 4.320 0.213 -0.141 0.205 21 K C 2.448 179.075 176.600 0.045 0.000 1.050 21 K CA 3.087 59.477 56.287 0.171 0.000 0.938 21 K CB -0.121 32.484 32.500 0.176 0.000 0.718 21 K HN -0.338 8.084 8.250 0.286 0.000 0.442 22 Q N -1.138 118.677 119.800 0.024 0.000 2.050 22 Q HA -0.365 3.986 4.340 0.017 0.000 0.202 22 Q C 2.637 178.631 176.000 -0.010 0.000 0.980 22 Q CA 3.362 59.169 55.803 0.007 0.000 0.840 22 Q CB -0.021 28.718 28.738 0.002 0.000 0.898 22 Q HN -0.267 7.946 8.270 0.033 0.078 0.424 23 R N -0.667 119.806 120.500 -0.044 0.000 2.081 23 R HA -0.288 4.035 4.340 -0.029 0.000 0.235 23 R C 2.016 178.335 176.300 0.031 0.000 1.131 23 R CA 2.614 58.689 56.100 -0.042 0.000 0.960 23 R CB -0.409 29.831 30.300 -0.100 0.000 0.856 23 R HN 0.037 8.268 8.270 -0.065 0.000 0.436 24 R N -0.775 119.727 120.500 0.004 0.000 2.083 24 R HA -0.344 4.284 4.340 0.479 0.000 0.237 24 R C 2.191 178.585 176.300 0.156 0.000 1.137 24 R CA 3.775 59.969 56.100 0.156 0.000 0.951 24 R CB -0.240 30.024 30.300 -0.060 0.000 0.851 24 R HN -0.172 8.014 8.270 -0.140 0.000 0.434 25 I N -1.481 119.130 120.570 0.068 0.000 2.252 25 I HA -0.363 3.837 4.170 0.050 0.000 0.245 25 I C 2.854 178.980 176.117 0.016 0.000 1.102 25 I CA 3.543 64.870 61.300 0.044 0.000 1.385 25 I CB -0.006 38.013 38.000 0.031 0.000 1.064 25 I HN -0.168 8.067 8.210 0.042 0.000 0.414 26 K N -0.069 120.339 120.400 0.013 0.000 2.063 26 K HA -0.314 3.997 4.320 -0.015 0.000 0.208 26 K C 1.715 178.298 176.600 -0.027 0.000 1.048 26 K CA 3.115 59.397 56.287 -0.008 0.000 0.928 26 K CB 0.033 32.527 32.500 -0.009 0.000 0.713 26 K HN 0.157 8.309 8.250 0.019 0.110 0.442 27 L N -3.848 117.376 121.223 0.001 0.000 2.552 27 L HA -0.047 4.243 4.340 -0.083 0.000 0.227 27 L C 0.492 177.177 176.870 -0.308 0.000 1.146 27 L CA 0.397 55.199 54.840 -0.063 0.000 0.858 27 L CB -0.223 41.930 42.059 0.157 0.000 0.969 27 L HN -0.140 8.121 8.230 0.058 0.004 0.451 28 G N -2.573 106.107 108.800 -0.200 0.000 2.137 28 G HA2 -0.405 3.476 3.960 -0.132 0.000 0.237 28 G HA3 -0.405 3.363 3.960 -0.320 0.000 0.237 28 G C -0.419 174.285 174.900 -0.327 0.000 1.002 28 G CA 0.338 45.281 45.100 -0.262 0.000 0.702 28 G HN -0.543 7.499 8.290 -0.073 0.204 0.515 29 F N 0.586 120.578 119.950 0.070 0.000 2.397 29 F HA 0.209 4.779 4.527 0.071 0.000 0.331 29 F C 0.141 175.961 175.800 0.033 0.000 1.090 29 F CA -1.260 56.785 58.000 0.075 0.000 1.065 29 F CB 1.835 40.923 39.000 0.147 0.000 1.184 29 F HN -0.485 7.869 8.300 0.092 0.000 0.499 30 T N -1.591 113.105 114.554 0.237 0.000 2.847 30 T HA 0.136 4.548 4.350 0.103 0.000 0.279 30 T C 0.946 175.704 174.700 0.097 0.000 0.984 30 T CA -1.916 60.260 62.100 0.127 0.000 0.988 30 T CB 2.728 71.653 68.868 0.096 0.000 1.040 30 T HN -0.111 8.587 8.240 0.294 -0.282 0.528 31 Q N 3.073 122.911 119.800 0.063 0.000 2.124 31 Q HA -0.322 4.033 4.340 0.025 0.000 0.202 31 Q C 1.788 177.794 176.000 0.009 0.000 0.977 31 Q CA 3.819 59.643 55.803 0.035 0.000 0.850 31 Q CB -0.715 28.052 28.738 0.048 0.000 0.901 31 Q HN 0.420 8.728 8.270 0.064 0.000 0.429 32 G N -1.376 107.443 108.800 0.031 0.000 2.418 32 G HA2 -0.337 3.635 3.960 0.021 0.000 0.217 32 G HA3 -0.337 3.645 3.960 0.036 0.000 0.217 32 G C 1.309 176.221 174.900 0.019 0.000 1.158 32 G CA 1.750 46.866 45.100 0.027 0.000 0.771 32 G HN 0.191 8.499 8.290 0.045 0.009 0.545 33 D N 2.818 123.249 120.400 0.052 0.000 2.116 33 D HA -0.252 4.434 4.640 0.078 0.000 0.193 33 D C 2.627 178.878 176.300 -0.081 0.000 0.998 33 D CA 3.327 57.368 54.000 0.069 0.000 0.836 33 D CB -0.434 40.531 40.800 0.274 0.000 0.951 33 D HN -0.127 8.215 8.370 0.080 0.076 0.449 34 V N -0.458 119.338 119.914 -0.197 0.000 2.343 34 V HA -0.388 3.329 4.120 -0.673 0.000 0.247 34 V C 2.250 178.177 176.094 -0.278 0.000 1.051 34 V CA 3.487 65.496 62.300 -0.485 0.000 1.036 34 V CB -0.703 30.717 31.823 -0.672 0.000 0.654 34 V HN -0.383 7.739 8.190 -0.113 0.000 0.451 35 G N -1.195 107.537 108.800 -0.115 0.000 2.442 35 G HA2 -0.291 3.716 3.960 0.079 0.000 0.219 35 G HA3 -0.291 3.838 3.960 0.045 -0.142 0.219 35 G C 1.973 176.891 174.900 0.029 0.000 1.141 35 G CA 2.169 47.279 45.100 0.016 0.000 0.763 35 G HN -0.250 7.913 8.290 -0.098 0.069 0.554 36 L N 1.923 123.143 121.223 -0.005 0.000 2.056 36 L HA -0.329 4.012 4.340 0.001 0.000 0.207 36 L C 1.833 178.704 176.870 0.002 0.000 1.078 36 L CA 2.652 57.493 54.840 0.001 0.000 0.749 36 L CB -0.346 41.718 42.059 0.008 0.000 0.901 36 L HN 0.008 8.219 8.230 -0.019 0.007 0.433 37 A N -0.099 122.713 122.820 -0.012 0.000 1.933 37 A HA -0.349 3.972 4.320 0.002 0.000 0.218 37 A C 2.211 179.840 177.584 0.075 0.000 1.175 37 A CA 3.187 55.238 52.037 0.023 0.000 0.628 37 A CB -0.728 18.320 19.000 0.080 0.000 0.814 37 A HN 0.292 8.340 8.150 -0.052 0.071 0.444 38 M N -3.667 116.019 119.600 0.142 0.000 2.159 38 M HA -0.298 4.536 4.480 0.589 0.000 0.263 38 M C 2.574 178.987 176.300 0.189 0.000 1.063 38 M CA 2.091 57.584 55.300 0.323 0.000 1.110 38 M CB -1.260 31.586 32.600 0.409 0.000 1.374 38 M HN 0.154 8.463 8.290 0.061 0.018 0.411 39 G N -1.359 107.479 108.800 0.063 0.000 2.395 39 G HA2 -0.281 3.736 3.960 -0.011 0.000 0.214 39 G HA3 -0.281 3.658 3.960 -0.035 0.000 0.214 39 G C 1.337 176.223 174.900 -0.024 0.000 1.177 39 G CA 1.411 46.508 45.100 -0.006 0.000 0.794 39 G HN -0.319 7.889 8.290 0.053 0.114 0.532 40 K N 1.397 121.773 120.400 -0.040 0.000 2.057 40 K HA -0.270 4.019 4.320 -0.052 0.000 0.206 40 K C 1.744 178.261 176.600 -0.138 0.000 1.050 40 K CA 2.556 58.802 56.287 -0.068 0.000 0.935 40 K CB 0.028 32.495 32.500 -0.054 0.000 0.715 40 K HN -0.385 7.852 8.250 -0.023 0.000 0.439 41 L N -4.572 116.491 121.223 -0.266 0.000 2.298 41 L HA -0.094 4.016 4.340 -0.382 0.000 0.209 41 L C 1.278 177.746 176.870 -0.671 0.000 1.084 41 L CA 1.952 56.443 54.840 -0.582 0.000 0.816 41 L CB 0.965 42.429 42.059 -0.992 0.000 0.967 41 L HN 0.307 8.296 8.230 -0.212 0.113 0.460 42 Y N -5.490 114.855 120.300 0.074 0.000 2.500 42 Y HA 0.126 4.711 4.550 0.057 0.000 0.246 42 Y C 0.472 176.397 175.900 0.042 0.000 1.146 42 Y CA -1.696 56.446 58.100 0.069 0.000 1.230 42 Y CB 0.382 38.909 38.460 0.111 0.000 1.214 42 Y HN -0.666 7.419 8.280 -0.153 0.102 0.526 43 G N -0.552 108.308 108.800 0.100 0.000 2.159 43 G HA2 -0.283 3.738 3.960 0.008 0.000 0.256 43 G HA3 -0.283 3.708 3.960 0.053 0.000 0.256 43 G C -0.769 174.134 174.900 0.005 0.000 0.977 43 G CA 0.188 45.314 45.100 0.044 0.000 0.652 43 G HN -0.318 7.995 8.290 0.040 0.000 0.531 44 N N -0.786 117.917 118.700 0.004 0.000 2.653 44 N HA 0.209 4.821 4.740 -0.214 0.000 0.261 44 N C -1.986 173.314 175.510 -0.349 0.000 1.216 44 N CA -1.459 51.482 53.050 -0.181 0.000 0.784 44 N CB 1.642 40.052 38.487 -0.128 0.000 1.327 44 N HN -0.413 7.980 8.380 0.093 0.043 0.539 45 D N -0.445 119.762 120.400 -0.320 0.000 2.357 45 D HA 0.001 4.785 4.640 -0.071 -0.186 0.242 45 D C -1.403 174.540 176.300 -0.596 0.000 1.153 45 D CA -0.537 53.308 54.000 -0.259 0.000 0.918 45 D CB 0.668 41.387 40.800 -0.135 0.000 1.181 45 D HN -0.307 7.916 8.370 -0.244 0.000 0.435 46 F N -1.271 118.653 119.950 -0.044 0.000 2.577 46 F HA 0.284 4.785 4.527 -0.044 0.000 0.318 46 F C -0.368 175.402 175.800 -0.050 0.000 1.065 46 F CA -1.206 56.761 58.000 -0.056 0.000 0.929 46 F CB 4.178 43.124 39.000 -0.091 0.000 1.237 46 F HN -0.252 8.010 8.300 0.117 0.108 0.468 47 S N 1.162 116.952 115.700 0.150 0.000 2.632 47 S HA 0.161 4.661 4.470 0.049 0.000 0.267 47 S C 1.041 175.682 174.600 0.068 0.000 1.276 47 S CA -0.709 57.536 58.200 0.077 0.000 0.998 47 S CB 1.926 65.159 63.200 0.054 0.000 0.953 47 S HN 0.460 8.880 8.310 0.184 0.000 0.547 48 Q N 2.591 122.417 119.800 0.043 0.000 2.096 48 Q HA -0.264 4.093 4.340 0.028 0.000 0.204 48 Q C 1.790 177.811 176.000 0.036 0.000 0.982 48 Q CA 3.978 59.801 55.803 0.034 0.000 0.850 48 Q CB -0.873 27.884 28.738 0.030 0.000 0.901 48 Q HN 0.832 9.124 8.270 0.036 0.000 0.422 49 T N 1.169 115.746 114.554 0.038 0.000 2.684 49 T HA -0.332 4.037 4.350 0.033 0.000 0.267 49 T C 2.111 176.836 174.700 0.042 0.000 1.036 49 T CA 4.740 66.862 62.100 0.037 0.000 1.148 49 T CB -0.730 68.159 68.868 0.035 0.000 0.863 49 T HN 0.058 8.314 8.240 0.038 0.007 0.436 50 T N 4.062 118.649 114.554 0.055 0.000 2.777 50 T HA -0.380 4.002 4.350 0.054 0.000 0.266 50 T C 1.453 176.161 174.700 0.014 0.000 1.040 50 T CA 5.190 67.321 62.100 0.052 0.000 1.141 50 T CB -0.323 68.610 68.868 0.107 0.000 0.868 50 T HN -0.582 7.699 8.240 0.068 0.000 0.444 51 I N 1.881 122.444 120.570 -0.012 0.000 2.226 51 I HA -0.379 3.696 4.170 -0.159 0.000 0.245 51 I C 1.870 178.012 176.117 0.042 0.000 1.100 51 I CA 2.089 63.359 61.300 -0.050 0.000 1.374 51 I CB -1.635 36.337 38.000 -0.046 0.000 1.057 51 I HN -0.214 8.004 8.210 0.013 0.000 0.413 52 S N 1.141 116.869 115.700 0.046 0.000 2.359 52 S HA -0.340 4.221 4.470 0.063 -0.053 0.224 52 S C 2.539 177.169 174.600 0.051 0.000 1.035 52 S CA 4.260 62.492 58.200 0.053 0.000 1.018 52 S CB -0.046 63.178 63.200 0.039 0.000 0.876 52 S HN 0.337 8.584 8.310 0.036 0.084 0.448 53 R N 0.192 120.720 120.500 0.047 0.000 2.081 53 R HA -0.307 4.040 4.340 0.012 0.000 0.235 53 R C 2.368 178.682 176.300 0.022 0.000 1.131 53 R CA 3.121 59.239 56.100 0.029 0.000 0.960 53 R CB -0.147 30.171 30.300 0.030 0.000 0.856 53 R HN -0.100 8.198 8.270 0.046 0.000 0.436 54 F N 2.385 122.274 119.950 -0.101 0.000 2.069 54 F HA -0.199 4.257 4.527 -0.118 0.000 0.298 54 F C 2.818 178.561 175.800 -0.096 0.000 1.113 54 F CA 3.142 61.060 58.000 -0.137 0.000 1.214 54 F CB 0.182 39.029 39.000 -0.255 0.000 0.978 54 F HN 0.303 8.702 8.300 0.165 0.000 0.474 55 E N -2.258 118.017 120.200 0.124 0.000 2.265 55 E HA -0.328 4.090 4.350 0.114 0.000 0.196 55 E C 1.073 177.665 176.600 -0.014 0.000 0.996 55 E CA 2.396 58.847 56.400 0.085 0.000 0.832 55 E CB -0.063 29.730 29.700 0.154 0.000 0.756 55 E HN -0.084 8.393 8.360 0.196 0.000 0.491 56 A N -4.509 118.291 122.820 -0.034 0.000 2.308 56 A HA 0.108 4.413 4.320 -0.024 0.000 0.217 56 A C -0.243 177.294 177.584 -0.078 0.000 1.216 56 A CA -0.521 51.493 52.037 -0.039 0.000 0.864 56 A CB 0.711 19.704 19.000 -0.012 0.000 0.902 56 A HN -0.541 7.457 8.150 -0.020 0.141 0.499 57 L N -4.726 116.403 121.223 -0.156 0.000 3.839 57 L HA -0.419 3.749 4.340 -0.287 0.000 0.416 57 L C -0.357 176.457 176.870 -0.093 0.000 1.195 57 L CA 0.908 55.641 54.840 -0.179 0.000 0.946 57 L CB -2.200 39.778 42.059 -0.136 0.000 1.891 57 L HN -0.451 7.463 8.230 -0.205 0.193 0.963 58 N N -0.855 117.806 118.700 -0.066 0.000 3.111 58 N HA -0.014 4.710 4.740 -0.027 0.000 0.302 58 N C -1.093 174.402 175.510 -0.025 0.000 1.317 58 N CA 0.222 53.253 53.050 -0.032 0.000 1.151 58 N CB -1.486 36.992 38.487 -0.015 0.000 1.456 58 N HN -0.003 8.221 8.380 -0.070 0.114 0.547 59 L N -2.000 119.200 121.223 -0.037 0.000 2.491 59 L HA 0.218 4.552 4.340 -0.010 0.000 0.254 59 L C -1.085 175.776 176.870 -0.016 0.000 1.048 59 L CA -1.278 53.548 54.840 -0.024 0.000 0.855 59 L CB 3.468 45.510 42.059 -0.029 0.000 1.466 59 L HN -0.673 7.419 8.230 -0.053 0.105 0.409 60 S N 0.622 116.322 115.700 -0.001 0.000 2.600 60 S HA 0.047 4.546 4.470 0.047 0.000 0.265 60 S C 0.276 174.900 174.600 0.039 0.000 1.325 60 S CA -0.055 58.164 58.200 0.032 0.000 1.002 60 S CB 0.845 64.064 63.200 0.032 0.000 0.921 60 S HN -0.090 8.217 8.310 -0.004 0.000 0.554 61 F N 4.347 124.272 119.950 -0.041 0.000 2.171 61 F HA -0.258 4.232 4.527 -0.063 0.000 0.300 61 F C 1.068 176.848 175.800 -0.034 0.000 1.090 61 F CA 3.417 61.389 58.000 -0.046 0.000 1.293 61 F CB 0.293 39.270 39.000 -0.039 0.000 1.013 61 F HN 0.488 8.930 8.300 0.236 0.000 0.486 62 K N -0.748 119.607 120.400 -0.074 0.000 2.063 62 K HA -0.431 3.746 4.320 -0.239 0.000 0.208 62 K C 2.287 178.769 176.600 -0.197 0.000 1.048 62 K CA 3.469 59.663 56.287 -0.155 0.000 0.928 62 K CB -0.606 31.889 32.500 -0.010 0.000 0.713 62 K HN -0.042 8.266 8.250 0.113 0.010 0.442 63 N N -0.558 118.069 118.700 -0.122 0.000 2.171 63 N HA -0.168 4.530 4.740 -0.070 0.000 0.184 63 N C 2.322 177.770 175.510 -0.103 0.000 1.021 63 N CA 2.575 55.575 53.050 -0.084 0.000 0.854 63 N CB -0.067 38.401 38.487 -0.032 0.000 0.994 63 N HN -0.338 7.917 8.380 -0.078 0.079 0.426 64 M N -0.768 118.743 119.600 -0.147 0.000 2.149 64 M HA -0.338 4.168 4.480 0.044 0.000 0.261 64 M C 2.041 178.236 176.300 -0.174 0.000 1.064 64 M CA 2.528 57.751 55.300 -0.128 0.000 1.102 64 M CB -1.044 31.410 32.600 -0.243 0.000 1.369 64 M HN 0.064 8.256 8.290 -0.162 0.000 0.408 65 A N -2.035 120.543 122.820 -0.403 0.000 1.930 65 A HA -0.249 3.842 4.320 -0.381 0.000 0.217 65 A C 0.569 178.012 177.584 -0.235 0.000 1.175 65 A CA 2.951 54.739 52.037 -0.416 0.000 0.627 65 A CB -0.882 17.736 19.000 -0.637 0.000 0.815 65 A HN -0.353 7.468 8.150 -0.526 0.013 0.443 66 K N -2.014 118.278 120.400 -0.180 0.000 2.025 66 K HA -0.163 4.090 4.320 -0.111 0.000 0.207 66 K C 2.299 178.825 176.600 -0.124 0.000 1.049 66 K CA 2.334 58.551 56.287 -0.117 0.000 0.933 66 K CB -0.108 32.349 32.500 -0.072 0.000 0.714 66 K HN -0.757 7.282 8.250 -0.193 0.095 0.438 67 L N -2.002 119.144 121.223 -0.129 0.000 2.141 67 L HA -0.348 3.810 4.340 -0.303 0.000 0.209 67 L C 1.594 178.257 176.870 -0.345 0.000 1.094 67 L CA 2.544 57.230 54.840 -0.257 0.000 0.763 67 L CB -0.286 41.619 42.059 -0.257 0.000 0.908 67 L HN -0.138 8.039 8.230 -0.089 0.000 0.437 68 K N -0.232 120.049 120.400 -0.198 0.000 2.032 68 K HA -0.343 3.748 4.320 -0.381 0.000 0.209 68 K C -0.588 175.762 176.600 -0.416 0.000 1.048 68 K CA 5.455 61.527 56.287 -0.358 0.000 0.927 68 K CB -2.087 30.181 32.500 -0.386 0.000 0.712 68 K HN -0.079 8.116 8.250 -0.091 0.000 0.441 69 P HA -0.185 4.111 4.420 -0.206 0.000 0.215 69 P C 1.367 178.560 177.300 -0.178 0.000 1.153 69 P CA 2.685 65.662 63.100 -0.205 0.000 0.853 69 P CB -0.269 31.344 31.700 -0.146 0.000 0.788 70 L N -4.450 116.657 121.223 -0.193 0.000 2.027 70 L HA -0.231 4.024 4.340 -0.142 0.000 0.206 70 L C 2.122 178.878 176.870 -0.189 0.000 1.074 70 L CA 2.002 56.740 54.840 -0.170 0.000 0.745 70 L CB -1.365 40.616 42.059 -0.129 0.000 0.898 70 L HN -0.737 7.360 8.230 -0.211 0.007 0.433 71 L N -2.834 118.232 121.223 -0.263 0.000 2.291 71 L HA -0.293 4.019 4.340 -0.047 0.000 0.214 71 L C 2.573 179.609 176.870 0.276 0.000 1.120 71 L CA 2.355 57.131 54.840 -0.107 0.000 0.799 71 L CB -0.624 41.108 42.059 -0.545 0.000 0.925 71 L HN 0.282 8.277 8.230 -0.390 0.000 0.446 72 E N -0.333 119.964 120.200 0.161 0.000 2.152 72 E HA -0.389 4.325 4.350 0.607 0.000 0.192 72 E C 1.564 178.236 176.600 0.120 0.000 0.983 72 E CA 3.253 59.821 56.400 0.280 0.000 0.818 72 E CB -0.366 29.381 29.700 0.078 0.000 0.758 72 E HN 0.096 8.281 8.360 -0.045 0.148 0.467 73 K N -0.464 119.888 120.400 -0.080 0.000 2.057 73 K HA -0.332 3.902 4.320 -0.144 0.000 0.207 73 K C 1.997 178.502 176.600 -0.159 0.000 1.049 73 K CA 2.930 59.057 56.287 -0.265 0.000 0.931 73 K CB -0.296 31.777 32.500 -0.712 0.000 0.714 73 K HN -0.707 7.354 8.250 -0.129 0.112 0.440 74 W N 0.827 122.011 121.300 -0.194 0.000 2.355 74 W HA -0.268 4.649 4.660 0.428 0.000 0.309 74 W C 1.726 178.311 176.519 0.110 0.000 1.206 74 W CA 3.720 61.157 57.345 0.153 0.000 1.284 74 W CB -0.099 29.498 29.460 0.229 0.000 1.145 74 W HN -0.725 7.425 8.180 0.081 0.078 0.502 75 L N -0.459 120.941 121.223 0.295 0.000 1.989 75 L HA -0.553 3.618 4.340 -0.281 0.000 0.211 75 L C 1.659 178.438 176.870 -0.153 0.000 1.071 75 L CA 3.604 58.454 54.840 0.018 0.000 0.749 75 L CB -0.413 41.814 42.059 0.279 0.000 0.890 75 L HN -0.256 8.316 8.230 0.570 0.000 0.431 76 N N -2.057 116.626 118.700 -0.028 0.000 2.018 76 N HA -0.395 4.327 4.740 -0.031 0.000 0.196 76 N C 2.838 178.284 175.510 -0.107 0.000 1.043 76 N CA 2.805 55.830 53.050 -0.042 0.000 0.856 76 N CB -0.744 37.743 38.487 0.001 0.000 1.042 76 N HN -0.266 8.149 8.380 0.059 0.000 0.423 77 D N 0.048 120.384 120.400 -0.107 0.000 2.144 77 D HA -0.175 4.428 4.640 -0.061 0.000 0.199 77 D C 1.366 177.515 176.300 -0.252 0.000 0.984 77 D CA 2.456 56.389 54.000 -0.111 0.000 0.834 77 D CB 0.061 40.877 40.800 0.027 0.000 0.955 77 D HN -0.448 7.886 8.370 -0.060 0.000 0.465 78 A N -1.149 121.356 122.820 -0.524 0.000 2.125 78 A HA -0.179 3.862 4.320 -0.466 0.000 0.219 78 A C 0.410 177.814 177.584 -0.299 0.000 1.156 78 A CA 1.490 53.170 52.037 -0.595 0.000 0.671 78 A CB 0.104 18.348 19.000 -1.261 0.000 0.794 78 A HN -0.267 7.488 8.150 -0.658 0.000 0.459 111 I N 5.380 125.936 120.570 -0.024 0.000 2.529 111 I HA 0.052 4.172 4.170 -0.082 0.000 0.284 111 I C -0.429 175.639 176.117 -0.081 0.000 1.082 111 I CA -0.014 61.239 61.300 -0.077 0.000 1.406 111 I CB 0.640 38.554 38.000 -0.144 0.000 1.405 111 I HN 0.116 8.327 8.210 0.001 0.000 0.548 112 E N 7.137 127.281 120.200 -0.092 0.000 2.398 112 E HA -0.106 4.212 4.350 -0.054 0.000 0.263 112 E C 1.137 177.683 176.600 -0.089 0.000 1.046 112 E CA -0.193 56.161 56.400 -0.076 0.000 0.908 112 E CB 0.990 30.648 29.700 -0.070 0.000 0.963 112 E HN 0.373 8.673 8.360 -0.100 0.000 0.431 113 T N 5.544 120.062 114.554 -0.060 0.000 2.699 113 T HA -0.397 3.923 4.350 -0.049 0.000 0.268 113 T C 1.043 175.705 174.700 -0.064 0.000 1.036 113 T CA 5.415 67.484 62.100 -0.052 0.000 1.147 113 T CB -0.246 68.604 68.868 -0.030 0.000 0.862 113 T HN 0.333 8.546 8.240 -0.045 0.000 0.446 114 N N 0.422 119.084 118.700 -0.063 0.000 2.216 114 N HA -0.198 4.514 4.740 -0.048 0.000 0.183 114 N C 1.836 177.290 175.510 -0.094 0.000 1.017 114 N CA 3.179 56.192 53.050 -0.061 0.000 0.861 114 N CB -1.219 37.240 38.487 -0.047 0.000 0.986 114 N HN 0.515 8.861 8.380 -0.057 0.000 0.428 115 I N 2.128 122.622 120.570 -0.127 0.000 2.286 115 I HA -0.329 3.751 4.170 -0.150 0.000 0.248 115 I C 1.865 177.806 176.117 -0.292 0.000 1.115 115 I CA 3.189 64.376 61.300 -0.187 0.000 1.392 115 I CB -0.441 37.436 38.000 -0.204 0.000 1.065 115 I HN -0.529 7.613 8.210 -0.114 0.000 0.418 116 R N -0.617 119.703 120.500 -0.300 0.000 2.082 116 R HA -0.375 3.522 4.340 -0.737 0.000 0.234 116 R C 2.440 178.627 176.300 -0.188 0.000 1.136 116 R CA 3.731 59.611 56.100 -0.367 0.000 0.935 116 R CB -0.266 29.927 30.300 -0.179 0.000 0.842 116 R HN -0.209 7.917 8.270 -0.224 0.010 0.430 117 V N -2.271 117.591 119.914 -0.087 0.000 2.278 117 V HA -0.490 3.638 4.120 0.014 0.000 0.251 117 V C 1.692 177.776 176.094 -0.017 0.000 1.062 117 V CA 3.577 65.863 62.300 -0.023 0.000 1.038 117 V CB -1.421 30.392 31.823 -0.016 0.000 0.646 117 V HN -0.697 7.441 8.190 -0.087 0.000 0.447 118 A N 0.115 122.904 122.820 -0.051 0.000 1.902 118 A HA -0.344 3.980 4.320 0.008 0.000 0.217 118 A C 2.192 179.770 177.584 -0.011 0.000 1.181 118 A CA 3.142 55.164 52.037 -0.024 0.000 0.623 118 A CB -0.735 18.239 19.000 -0.044 0.000 0.818 118 A HN -0.524 7.580 8.150 -0.078 0.000 0.443 119 L N -1.793 119.356 121.223 -0.124 0.000 2.042 119 L HA -0.523 3.782 4.340 -0.058 0.000 0.210 119 L C 2.504 179.436 176.870 0.104 0.000 1.076 119 L CA 3.259 58.008 54.840 -0.152 0.000 0.749 119 L CB -0.524 41.084 42.059 -0.750 0.000 0.893 119 L HN 0.383 8.416 8.230 -0.212 0.070 0.432 120 E N -1.636 118.647 120.200 0.139 0.000 2.077 120 E HA -0.430 4.107 4.350 0.313 0.000 0.193 120 E C 2.459 179.200 176.600 0.236 0.000 0.989 120 E CA 3.065 59.607 56.400 0.237 0.000 0.800 120 E CB -0.614 29.192 29.700 0.176 0.000 0.746 120 E HN 0.336 8.542 8.360 0.046 0.181 0.452 121 K N -0.995 119.496 120.400 0.152 0.000 2.032 121 K HA -0.278 4.113 4.320 0.119 0.000 0.209 121 K C 2.483 179.186 176.600 0.171 0.000 1.048 121 K CA 2.736 59.101 56.287 0.130 0.000 0.927 121 K CB -0.800 31.750 32.500 0.083 0.000 0.712 121 K HN -0.017 8.221 8.250 0.108 0.077 0.441 122 S N 0.053 115.883 115.700 0.217 0.000 2.353 122 S HA -0.284 4.311 4.470 0.208 0.000 0.222 122 S C 1.693 176.531 174.600 0.396 0.000 1.035 122 S CA 2.891 61.270 58.200 0.299 0.000 1.025 122 S CB -0.231 63.222 63.200 0.421 0.000 0.902 122 S HN -0.050 8.372 8.310 0.187 0.000 0.440 123 F N 3.079 123.220 119.950 0.318 0.000 2.115 123 F HA -0.274 4.768 4.527 0.618 -0.143 0.300 123 F C 1.901 177.820 175.800 0.197 0.000 1.092 123 F CA 3.141 61.335 58.000 0.324 0.000 1.245 123 F CB -0.159 38.916 39.000 0.125 0.000 0.995 123 F HN -0.044 8.567 8.300 0.517 0.000 0.481 124 L N -3.912 117.378 121.223 0.112 0.000 2.012 124 L HA -0.415 3.862 4.340 -0.106 0.000 0.210 124 L C 1.856 178.692 176.870 -0.057 0.000 1.073 124 L CA 2.551 57.381 54.840 -0.018 0.000 0.748 124 L CB -0.430 41.669 42.059 0.068 0.000 0.891 124 L HN -0.236 8.059 8.230 0.269 0.096 0.431 125 E N -2.958 117.250 120.200 0.014 0.000 2.006 125 E HA -0.212 4.133 4.350 -0.009 0.000 0.192 125 E C 0.468 177.047 176.600 -0.036 0.000 0.993 125 E CA 1.807 58.208 56.400 0.002 0.000 0.808 125 E CB 0.528 30.252 29.700 0.040 0.000 0.764 125 E HN -0.428 7.887 8.360 0.076 0.091 0.449 126 N N -1.655 117.038 118.700 -0.012 0.000 2.461 126 N HA 0.173 4.864 4.740 -0.082 0.000 0.284 126 N C -0.186 175.300 175.510 -0.040 0.000 1.049 126 N CA -0.946 52.076 53.050 -0.047 0.000 0.889 126 N CB 0.993 39.459 38.487 -0.035 0.000 1.365 126 N HN -0.155 8.263 8.380 0.063 0.000 0.499 127 Q N 5.138 124.829 119.800 -0.181 0.000 2.172 127 Q HA -0.280 3.829 4.340 -0.514 -0.077 0.200 127 Q C -0.268 175.844 176.000 0.186 0.000 0.964 127 Q CA 2.817 58.502 55.803 -0.197 0.000 0.855 127 Q CB 0.922 29.475 28.738 -0.310 0.000 0.918 127 Q HN 0.584 8.740 8.270 -0.189 0.000 0.444 128 K N -1.544 118.875 120.400 0.033 0.000 2.682 128 K HA 0.396 4.750 4.320 0.057 0.000 0.189 128 K C -2.759 173.779 176.600 -0.104 0.000 1.062 128 K CA -3.040 53.250 56.287 0.004 0.000 0.997 128 K CB -0.442 32.070 32.500 0.020 0.000 1.405 128 K HN -0.596 7.858 8.250 -0.026 -0.219 0.588 129 P HA -0.028 4.444 4.420 -0.172 -0.156 0.271 129 P C -0.904 176.287 177.300 -0.181 0.000 1.218 129 P CA -0.858 62.084 63.100 -0.262 0.000 0.780 129 P CB 0.408 31.825 31.700 -0.471 0.000 0.901 130 T N -2.671 111.814 114.554 -0.114 0.000 2.788 130 T HA -0.085 4.229 4.350 -0.060 0.000 0.287 130 T C 1.171 175.832 174.700 -0.066 0.000 1.007 130 T CA -1.064 60.993 62.100 -0.072 0.000 1.005 130 T CB 1.453 70.292 68.868 -0.048 0.000 1.012 130 T HN -0.295 8.056 8.240 -0.104 -0.174 0.530 131 S N 1.016 116.693 115.700 -0.038 0.000 2.387 131 S HA -0.399 4.058 4.470 -0.021 0.000 0.230 131 S C 1.988 176.574 174.600 -0.024 0.000 1.035 131 S CA 4.079 62.264 58.200 -0.024 0.000 1.014 131 S CB -0.290 62.903 63.200 -0.011 0.000 0.836 131 S HN 0.498 8.790 8.310 -0.031 0.000 0.466 132 E N 0.801 120.984 120.200 -0.027 0.000 2.028 132 E HA -0.210 4.131 4.350 -0.015 0.000 0.190 132 E C 2.241 178.823 176.600 -0.030 0.000 0.984 132 E CA 2.521 58.908 56.400 -0.022 0.000 0.800 132 E CB -0.968 28.720 29.700 -0.020 0.000 0.758 132 E HN -0.370 7.957 8.360 -0.029 0.016 0.448 133 E N 0.487 120.659 120.200 -0.047 0.000 2.049 133 E HA -0.406 3.920 4.350 -0.041 0.000 0.198 133 E C 2.556 179.119 176.600 -0.062 0.000 1.007 133 E CA 2.823 59.187 56.400 -0.060 0.000 0.809 133 E CB -0.050 29.593 29.700 -0.095 0.000 0.749 133 E HN -0.553 7.776 8.360 -0.051 0.000 0.450 134 I N -0.580 119.939 120.570 -0.085 0.000 2.118 134 I HA -0.633 3.491 4.170 -0.077 0.000 0.241 134 I C 1.811 177.928 176.117 0.000 0.000 1.070 134 I CA 4.657 65.923 61.300 -0.057 0.000 1.327 134 I CB -0.065 37.904 38.000 -0.051 0.000 1.034 134 I HN 0.657 8.696 8.210 -0.099 0.112 0.405 135 T N 1.954 116.506 114.554 -0.002 0.000 2.720 135 T HA -0.548 3.812 4.350 0.017 0.000 0.268 135 T C 1.706 176.411 174.700 0.009 0.000 1.037 135 T CA 4.758 66.862 62.100 0.008 0.000 1.144 135 T CB -0.210 68.659 68.868 0.002 0.000 0.864 135 T HN -0.238 7.994 8.240 -0.013 0.000 0.444 136 M N 0.888 120.490 119.600 0.002 0.000 2.084 136 M HA -0.434 4.048 4.480 0.005 0.000 0.259 136 M C 2.085 178.395 176.300 0.015 0.000 1.072 136 M CA 3.961 59.264 55.300 0.005 0.000 1.107 136 M CB -0.627 31.973 32.600 0.000 0.000 1.299 136 M HN -0.365 7.913 8.290 -0.006 0.008 0.413 137 I N -1.194 119.391 120.570 0.024 0.000 2.236 137 I HA -0.588 3.609 4.170 0.045 0.000 0.249 137 I C 1.840 177.984 176.117 0.044 0.000 1.102 137 I CA 3.590 64.919 61.300 0.050 0.000 1.365 137 I CB -0.934 37.123 38.000 0.095 0.000 1.051 137 I HN -0.105 8.113 8.210 0.014 0.000 0.420 138 A N -0.412 122.433 122.820 0.041 0.000 1.832 138 A HA -0.439 3.900 4.320 0.031 0.000 0.214 138 A C 1.318 178.910 177.584 0.013 0.000 1.200 138 A CA 3.340 55.395 52.037 0.030 0.000 0.610 138 A CB -0.830 18.190 19.000 0.033 0.000 0.842 138 A HN -0.018 8.041 8.150 0.039 0.114 0.444 139 D N -1.127 119.279 120.400 0.011 0.000 2.116 139 D HA -0.343 4.299 4.640 0.003 0.000 0.193 139 D C 3.055 179.357 176.300 0.002 0.000 0.998 139 D CA 3.380 57.383 54.000 0.005 0.000 0.836 139 D CB 0.071 40.874 40.800 0.005 0.000 0.951 139 D HN -0.503 7.875 8.370 0.014 0.000 0.449 140 Q N 0.257 120.060 119.800 0.006 0.000 2.173 140 Q HA -0.263 4.078 4.340 0.002 0.000 0.208 140 Q C 1.412 177.410 176.000 -0.003 0.000 0.989 140 Q CA 2.401 58.207 55.803 0.004 0.000 0.872 140 Q CB -0.310 28.435 28.738 0.011 0.000 0.909 140 Q HN 0.308 8.477 8.270 0.010 0.106 0.420 141 L N -3.241 117.978 121.223 -0.007 0.000 2.585 141 L HA 0.097 4.422 4.340 -0.025 0.000 0.226 141 L C 0.246 177.101 176.870 -0.025 0.000 1.113 141 L CA -0.514 54.312 54.840 -0.023 0.000 0.876 141 L CB 0.710 42.745 42.059 -0.039 0.000 1.072 141 L HN -0.417 7.694 8.230 0.000 0.119 0.468 142 N N -0.310 118.381 118.700 -0.014 0.000 2.648 142 N HA -0.365 4.370 4.740 -0.008 0.000 0.265 142 N C -1.793 173.706 175.510 -0.018 0.000 1.100 142 N CA 0.906 53.948 53.050 -0.013 0.000 0.715 142 N CB -0.383 38.095 38.487 -0.015 0.000 0.881 142 N HN -0.140 7.955 8.380 -0.008 0.280 0.548 143 M N -0.479 119.114 119.600 -0.013 0.000 2.484 143 M HA 0.097 4.567 4.480 -0.017 0.000 0.289 143 M C -1.549 174.752 176.300 0.003 0.000 1.206 143 M CA -1.101 54.191 55.300 -0.014 0.000 0.892 143 M CB 3.414 35.996 32.600 -0.029 0.000 1.712 143 M HN -0.281 7.901 8.290 -0.006 0.104 0.462 144 E N 0.931 121.135 120.200 0.007 0.000 2.413 144 E HA -0.164 4.194 4.350 0.014 0.000 0.263 144 E C 0.840 177.460 176.600 0.032 0.000 1.015 144 E CA 0.534 56.945 56.400 0.017 0.000 0.916 144 E CB 1.564 31.274 29.700 0.017 0.000 0.947 144 E HN 0.067 8.428 8.360 0.002 0.000 0.440 145 K N 6.175 126.594 120.400 0.033 0.000 2.009 145 K HA -0.290 4.060 4.320 0.051 0.000 0.210 145 K C 1.934 178.572 176.600 0.064 0.000 1.049 145 K CA 3.231 59.545 56.287 0.045 0.000 0.929 145 K CB -0.528 31.992 32.500 0.033 0.000 0.714 145 K HN 0.507 8.771 8.250 0.025 0.000 0.440 146 E N -1.178 119.054 120.200 0.053 0.000 2.130 146 E HA -0.311 4.077 4.350 0.063 0.000 0.196 146 E C 2.213 178.863 176.600 0.084 0.000 0.998 146 E CA 2.608 59.045 56.400 0.061 0.000 0.806 146 E CB -0.726 28.999 29.700 0.043 0.000 0.738 146 E HN -0.236 8.148 8.360 0.040 0.000 0.459 147 V N -1.074 118.887 119.914 0.078 0.000 2.407 147 V HA -0.380 3.797 4.120 0.094 0.000 0.248 147 V C 2.002 178.190 176.094 0.156 0.000 1.055 147 V CA 3.676 66.033 62.300 0.095 0.000 1.049 147 V CB -0.163 31.694 31.823 0.057 0.000 0.662 147 V HN -0.634 7.578 8.190 0.059 0.013 0.455 148 I N -1.205 119.459 120.570 0.157 0.000 2.286 148 I HA -0.346 3.981 4.170 0.261 0.000 0.245 148 I C 1.871 178.214 176.117 0.378 0.000 1.104 148 I CA 1.903 63.356 61.300 0.256 0.000 1.397 148 I CB -1.395 36.726 38.000 0.201 0.000 1.072 148 I HN -0.883 7.292 8.210 0.114 0.104 0.417 149 R N 0.530 121.176 120.500 0.242 0.000 2.081 149 R HA -0.404 4.077 4.340 0.236 0.000 0.235 149 R C 2.622 179.060 176.300 0.231 0.000 1.131 149 R CA 4.161 60.391 56.100 0.215 0.000 0.960 149 R CB 0.004 30.374 30.300 0.117 0.000 0.856 149 R HN 0.059 8.360 8.270 0.172 0.073 0.436 150 V N -1.076 118.950 119.914 0.185 0.000 2.427 150 V HA -0.290 3.887 4.120 0.095 0.000 0.248 150 V C 1.283 177.460 176.094 0.138 0.000 1.051 150 V CA 4.015 66.395 62.300 0.133 0.000 1.048 150 V CB -0.718 31.167 31.823 0.103 0.000 0.666 150 V HN 0.032 8.321 8.190 0.169 0.002 0.456 151 W N 1.278 122.594 121.300 0.027 0.000 2.358 151 W HA -0.397 4.200 4.660 -0.104 0.000 0.303 151 W C 1.693 178.121 176.519 -0.152 0.000 1.208 151 W CA 3.677 60.972 57.345 -0.084 0.000 1.274 151 W CB -0.123 29.264 29.460 -0.123 0.000 1.138 151 W HN -0.373 7.943 8.180 0.378 0.091 0.515 152 F N -1.261 118.723 119.950 0.055 0.000 2.186 152 F HA -0.390 4.030 4.527 -0.178 0.000 0.299 152 F C 2.148 177.875 175.800 -0.121 0.000 1.090 152 F CA 4.527 62.508 58.000 -0.033 0.000 1.307 152 F CB -0.420 38.685 39.000 0.174 0.000 1.019 152 F HN -0.347 8.295 8.300 0.569 0.000 0.489 153 C N -0.974 118.392 119.300 0.109 0.000 2.432 153 C HA -0.525 3.975 4.460 0.067 0.000 0.277 153 C C 1.801 176.728 174.990 -0.105 0.000 1.249 153 C CA 5.525 64.558 59.018 0.025 0.000 1.725 153 C CB -0.455 27.307 27.740 0.037 0.000 2.028 153 C HN -0.094 8.156 8.230 0.170 0.082 0.477 154 N N -0.440 118.135 118.700 -0.207 0.000 2.166 154 N HA -0.281 4.340 4.740 -0.198 0.000 0.186 154 N C 2.078 177.317 175.510 -0.453 0.000 1.019 154 N CA 2.981 55.853 53.050 -0.297 0.000 0.856 154 N CB -0.609 37.679 38.487 -0.331 0.000 0.993 154 N HN 0.251 8.525 8.380 -0.178 0.000 0.426 155 R N 0.571 120.648 120.500 -0.705 0.000 2.092 155 R HA -0.248 3.549 4.340 -0.905 0.000 0.231 155 R C 2.149 178.093 176.300 -0.594 0.000 1.119 155 R CA 2.027 57.571 56.100 -0.926 0.000 0.970 155 R CB -0.661 28.747 30.300 -1.487 0.000 0.864 155 R HN 0.077 7.806 8.270 -0.744 0.095 0.440 156 R N -1.174 119.172 120.500 -0.257 0.000 2.092 156 R HA -0.268 4.208 4.340 0.227 0.000 0.231 156 R C 2.731 179.018 176.300 -0.021 0.000 1.119 156 R CA 3.441 59.565 56.100 0.039 0.000 0.970 156 R CB -0.349 30.030 30.300 0.132 0.000 0.864 156 R HN -0.174 7.960 8.270 -0.227 0.000 0.440 157 Q N -1.199 118.548 119.800 -0.088 0.000 2.046 157 Q HA -0.248 4.071 4.340 -0.036 0.000 0.200 157 Q C 2.724 178.671 176.000 -0.089 0.000 0.975 157 Q CA 2.950 58.709 55.803 -0.074 0.000 0.836 157 Q CB -0.138 28.548 28.738 -0.087 0.000 0.896 157 Q HN -0.351 7.746 8.270 -0.131 0.094 0.428 158 K N 0.137 120.444 120.400 -0.155 0.000 2.147 158 K HA -0.302 3.950 4.320 -0.113 0.000 0.205 158 K C 2.726 179.274 176.600 -0.087 0.000 1.049 158 K CA 2.968 59.169 56.287 -0.145 0.000 0.936 158 K CB -0.103 32.258 32.500 -0.232 0.000 0.722 158 K HN -0.139 7.978 8.250 -0.222 0.000 0.446 159 E N -2.138 118.025 120.200 -0.062 0.000 2.268 159 E HA -0.183 4.182 4.350 0.025 0.000 0.195 159 E C 0.732 177.348 176.600 0.027 0.000 0.995 159 E CA 1.679 58.095 56.400 0.027 0.000 0.836 159 E CB -0.270 29.523 29.700 0.155 0.000 0.763 159 E HN -0.491 7.706 8.360 -0.101 0.102 0.491 160 K N -3.538 116.868 120.400 0.010 0.000 2.426 160 K HA -0.067 4.265 4.320 0.020 0.000 0.193 160 K C 0.456 177.055 176.600 -0.002 0.000 1.028 160 K CA 0.079 56.372 56.287 0.010 0.000 1.047 160 K CB 0.134 32.638 32.500 0.008 0.000 0.821 160 K HN -0.609 7.485 8.250 -0.007 0.152 0.513 161 R N -0.598 119.894 120.500 -0.014 0.000 2.641 161 R HA -0.120 4.211 4.340 -0.015 0.000 0.269 161 R C 0.561 176.856 176.300 -0.008 0.000 1.074 161 R CA 0.506 56.596 56.100 -0.016 0.000 1.133 161 R CB 0.393 30.676 30.300 -0.028 0.000 1.029 161 R HN -0.745 7.329 8.270 -0.021 0.183 0.488 162 I N 0.787 121.352 120.570 -0.007 0.000 2.163 162 I HA -0.307 3.863 4.170 -0.001 0.000 0.240 162 I C 0.649 176.763 176.117 -0.004 0.000 1.081 162 I CA 1.838 63.136 61.300 -0.004 0.000 1.353 162 I CB -0.053 37.945 38.000 -0.004 0.000 1.054 162 I HN 0.251 8.456 8.210 -0.009 0.000 0.407 163 N N 0.000 118.695 118.700 -0.008 0.000 1.763 163 N HA 0.000 4.737 4.740 -0.006 0.000 0.220 163 N CA 0.000 53.045 53.050 -0.009 0.000 0.885 163 N CB 0.000 38.482 38.487 -0.008 0.000 1.341 163 N HN 0.000 8.374 8.380 -0.010 0.000 0.667